USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0285) USER MOD Set 1.2: A 127 SER OG : rot 180:sc= -0.0473 USER MOD Set 2.1: A 102 GLN : amide:sc= -0.334 K(o=-2,f=-3.1) USER MOD Set 2.2: A 104 GLN :FLIP amide:sc= -1.71 F(o=-3.5!,f=-2) USER MOD Set 3.1: A 59 GLN : amide:sc= 0.835 K(o=1.2,f=-0.35) USER MOD Set 3.2: A 63 SER OG : rot -170:sc= 0 USER MOD Set 3.3: A 65 ASN : amide:sc= 0.361 K(o=1.2,f=0) USER MOD Set 4.1: A 53 SER OG : rot 155:sc=0.000658 USER MOD Set 4.2: A 141 THR OG1 : rot 85:sc= 1.72 USER MOD Set 4.3: A 142 LYS NZ :NH3+ -143:sc= 1.12 (180deg=0.938) USER MOD Set 4.4: A 178 ASN : amide:sc= -0.425 K(o=2.4,f=1.5) USER MOD Set 5.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 54 THR OG1 : rot 123:sc= 0.287 USER MOD Set 5.3: A 134 LYS NZ :NH3+ -137:sc= -0.163 (180deg=-0.668) USER MOD Set 5.4: A 138 TYR OH : rot -176:sc= 0.155 USER MOD Single : A 1 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.059) USER MOD Single : A 1 GLN N :NH3+ -150:sc= 0.0284 (180deg=-0.257) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -31:sc= 0.507 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.47 F(o=-6.6!,f=-1.5) USER MOD Single : A 6 ASN : amide:sc= -1.05 K(o=-1,f=-5.5!) USER MOD Single : A 15 SER OG : rot -160:sc= -0.969 USER MOD Single : A 19 GLN : amide:sc= -1.61 K(o=-1.6,f=-6.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 28 GLN : amide:sc= 1.18 K(o=1.2,f=-0.81) USER MOD Single : A 39 ASN : amide:sc= -0.504 K(o=-0.5,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -0.944 K(o=-0.94,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 1.28 (180deg=-0.0238) USER MOD Single : A 46 GLN : amide:sc=-0.00984 K(o=-0.0098,f=-2.1!) USER MOD Single : A 47 SER OG : rot 44:sc= 0.233 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 164:sc= -1.82 (180deg=-2.45!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.05 X(o=-1.1,f=-1) USER MOD Single : A 64 TYR OH : rot 174:sc= 0.161 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.98) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 170:sc= 0.368 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.114 F(o=-1.3!,f=-0.11) USER MOD Single : A 93 THR OG1 : rot -32:sc= -1.6! USER MOD Single : A 96 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.4!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 99 SER OG : rot -28:sc= 0.0349 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 109 GLN : amide:sc= -9.89! C(o=-9.9!,f=-9.7!) USER MOD Single : A 113 THR OG1 : rot 177:sc= 0.458 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 1.14 K(o=1.1,f=-0.45) USER MOD Single : A 120 MET CE :methyl -162:sc= -0.259 (180deg=-0.807) USER MOD Single : A 124 GLN :FLIP amide:sc=-6.71e-05 F(o=-1.1,f=-6.7e-05) USER MOD Single : A 126 THR OG1 : rot 71:sc= 0.871 USER MOD Single : A 129 ASN :FLIP amide:sc= -0.112 F(o=-1.3!,f=-0.11) USER MOD Single : A 130 LYS NZ :NH3+ 161:sc= -0.0255 (180deg=-0.305) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.148 F(o=-1.6!,f=-0.15) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 24:sc= 0.0165 USER MOD Single : A 145 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 149 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.12) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 148:sc= 0.606 (180deg=0.274) USER MOD Single : A 158 SER OG : rot 79:sc= 0.291 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN :FLIP amide:sc= -0.017 F(o=-1.1!,f=-0.017) USER MOD Single : A 165 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.2) USER MOD Single : A 169 SER OG : rot -14:sc= -0.042 USER MOD Single : A 172 THR OG1 : rot 180:sc=-0.00967 USER MOD Single : A 174 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -25.034 -2.221 -9.168 1.00 10.05 N ATOM 2 CA GLN A 1 -24.007 -1.657 -8.265 1.00 9.53 C ATOM 3 C GLN A 1 -24.529 -0.357 -7.667 1.00 8.72 C ATOM 4 O GLN A 1 -25.725 -0.242 -7.404 1.00 8.81 O ATOM 5 CB GLN A 1 -22.706 -1.409 -9.037 1.00 9.95 C ATOM 6 CG GLN A 1 -22.106 -2.660 -9.661 1.00 10.89 C ATOM 7 CD GLN A 1 -21.677 -3.687 -8.629 1.00 11.00 C ATOM 8 OE1 GLN A 1 -20.555 -3.642 -8.127 1.00 10.82 O ATOM 9 NE2 GLN A 1 -22.545 -4.640 -8.332 1.00 11.52 N ATOM 0 H1 GLN A 1 -24.956 -3.258 -9.178 1.00 10.05 H new ATOM 0 H2 GLN A 1 -25.980 -1.948 -8.832 1.00 10.05 H new ATOM 0 H3 GLN A 1 -24.890 -1.854 -10.130 1.00 10.05 H new ATOM 0 HA GLN A 1 -23.797 -2.363 -7.462 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -22.896 -0.679 -9.824 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -21.974 -0.966 -8.362 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -22.836 -3.111 -10.333 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -21.245 -2.380 -10.268 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -23.467 -4.644 -8.769 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -22.293 -5.370 -7.666 1.00 11.52 H new ATOM 20 N ASP A 2 -23.635 0.608 -7.445 1.00 8.19 N ATOM 21 CA ASP A 2 -24.013 1.918 -6.917 1.00 7.64 C ATOM 22 C ASP A 2 -24.597 1.798 -5.519 1.00 6.86 C ATOM 23 O ASP A 2 -25.731 2.210 -5.261 1.00 6.69 O ATOM 24 CB ASP A 2 -25.001 2.632 -7.846 1.00 8.16 C ATOM 25 CG ASP A 2 -24.332 3.662 -8.732 1.00 8.50 C ATOM 26 OD1 ASP A 2 -23.698 3.276 -9.736 1.00 8.87 O ATOM 27 OD2 ASP A 2 -24.444 4.867 -8.432 1.00 8.62 O ATOM 0 H ASP A 2 -22.636 0.504 -7.625 1.00 8.19 H new ATOM 0 HA ASP A 2 -23.105 2.518 -6.861 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -25.504 1.894 -8.470 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -25.770 3.119 -7.246 1.00 8.16 H new ATOM 32 N SER A 3 -23.822 1.213 -4.624 1.00 6.71 N ATOM 33 CA SER A 3 -24.198 1.157 -3.228 1.00 6.26 C ATOM 34 C SER A 3 -23.980 2.519 -2.602 1.00 5.42 C ATOM 35 O SER A 3 -24.914 3.152 -2.106 1.00 5.49 O ATOM 36 CB SER A 3 -23.384 0.081 -2.507 1.00 6.98 C ATOM 37 OG SER A 3 -23.546 -1.170 -3.151 1.00 7.51 O ATOM 0 H SER A 3 -22.929 0.771 -4.841 1.00 6.71 H new ATOM 0 HA SER A 3 -25.252 0.893 -3.138 1.00 6.26 H new ATOM 0 HB2 SER A 3 -22.330 0.359 -2.496 1.00 6.98 H new ATOM 0 HB3 SER A 3 -23.705 0.007 -1.468 1.00 6.98 H new ATOM 0 HG SER A 3 -23.019 -1.850 -2.682 1.00 7.51 H new ATOM 43 N THR A 4 -22.742 2.972 -2.654 1.00 5.01 N ATOM 44 CA THR A 4 -22.379 4.307 -2.208 1.00 4.56 C ATOM 45 C THR A 4 -21.042 4.704 -2.828 1.00 3.84 C ATOM 46 O THR A 4 -19.983 4.251 -2.392 1.00 4.15 O ATOM 47 CB THR A 4 -22.278 4.405 -0.667 1.00 5.23 C ATOM 48 OG1 THR A 4 -23.359 3.696 -0.046 1.00 5.56 O ATOM 49 CG2 THR A 4 -22.326 5.856 -0.224 1.00 5.56 C ATOM 0 H THR A 4 -21.957 2.425 -3.007 1.00 5.01 H new ATOM 0 HA THR A 4 -23.168 4.986 -2.531 1.00 4.56 H new ATOM 0 HB THR A 4 -21.330 3.961 -0.365 1.00 5.23 H new ATOM 0 HG1 THR A 4 -24.148 3.730 -0.626 1.00 5.56 H new ATOM 0 HG21 THR A 4 -22.254 5.907 0.862 1.00 5.56 H new ATOM 0 HG22 THR A 4 -21.493 6.400 -0.669 1.00 5.56 H new ATOM 0 HG23 THR A 4 -23.266 6.304 -0.547 1.00 5.56 H new ATOM 57 N GLN A 5 -21.094 5.523 -3.867 1.00 3.36 N ATOM 58 CA GLN A 5 -19.887 5.951 -4.563 1.00 3.15 C ATOM 59 C GLN A 5 -19.297 7.190 -3.905 1.00 2.17 C ATOM 60 O GLN A 5 -19.083 8.220 -4.546 1.00 2.51 O ATOM 61 CB GLN A 5 -20.189 6.229 -6.034 1.00 3.99 C ATOM 62 CG GLN A 5 -20.845 5.063 -6.769 1.00 4.99 C ATOM 63 CD GLN A 5 -19.935 3.852 -6.956 1.00 5.91 C ATOM 64 OE1 GLN A 5 -19.022 3.618 -6.025 1.00 6.48 O flip ATOM 65 NE2 GLN A 5 -20.065 3.119 -7.934 1.00 6.37 N flip ATOM 0 H GLN A 5 -21.959 5.906 -4.248 1.00 3.36 H new ATOM 0 HA GLN A 5 -19.155 5.145 -4.502 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -20.842 7.100 -6.101 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -19.260 6.487 -6.542 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -21.734 4.754 -6.218 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -21.180 5.407 -7.748 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -20.777 3.325 -8.635 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -19.461 2.305 -8.045 1.00 6.37 H new ATOM 74 N ASN A 6 -19.037 7.073 -2.619 1.00 1.52 N ATOM 75 CA ASN A 6 -18.493 8.160 -1.831 1.00 0.89 C ATOM 76 C ASN A 6 -17.105 7.792 -1.332 1.00 0.78 C ATOM 77 O ASN A 6 -16.517 6.795 -1.761 1.00 1.00 O ATOM 78 CB ASN A 6 -19.404 8.451 -0.631 1.00 1.52 C ATOM 79 CG ASN A 6 -19.387 7.339 0.409 1.00 2.32 C ATOM 80 OD1 ASN A 6 -19.219 6.164 0.086 1.00 2.86 O ATOM 81 ND2 ASN A 6 -19.555 7.707 1.668 1.00 3.16 N ATOM 0 H ASN A 6 -19.198 6.217 -2.088 1.00 1.52 H new ATOM 0 HA ASN A 6 -18.431 9.049 -2.458 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -19.092 9.385 -0.163 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -20.425 8.597 -0.983 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -19.548 7.006 2.409 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -19.692 8.691 1.898 1.00 3.16 H new ATOM 88 N LEU A 7 -16.581 8.606 -0.439 1.00 0.58 N ATOM 89 CA LEU A 7 -15.347 8.286 0.240 1.00 0.51 C ATOM 90 C LEU A 7 -15.661 7.653 1.588 1.00 0.45 C ATOM 91 O LEU A 7 -16.503 8.150 2.341 1.00 0.49 O ATOM 92 CB LEU A 7 -14.479 9.545 0.407 1.00 0.52 C ATOM 93 CG LEU A 7 -15.128 10.710 1.154 1.00 0.80 C ATOM 94 CD1 LEU A 7 -14.808 10.636 2.636 1.00 1.73 C ATOM 95 CD2 LEU A 7 -14.676 12.035 0.566 1.00 1.08 C ATOM 0 H LEU A 7 -16.995 9.498 -0.167 1.00 0.58 H new ATOM 0 HA LEU A 7 -14.780 7.573 -0.359 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -13.566 9.266 0.932 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.184 9.893 -0.583 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.209 10.639 1.038 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -15.278 11.473 3.152 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -15.187 9.699 3.044 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -13.728 10.683 2.778 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.147 12.854 1.109 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -13.593 12.120 0.650 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -14.963 12.084 -0.484 1.00 1.08 H new ATOM 107 N ILE A 8 -15.022 6.537 1.870 1.00 0.43 N ATOM 108 CA ILE A 8 -15.104 5.945 3.180 1.00 0.40 C ATOM 109 C ILE A 8 -14.203 6.725 4.091 1.00 0.40 C ATOM 110 O ILE A 8 -13.144 7.174 3.660 1.00 0.62 O ATOM 111 CB ILE A 8 -14.715 4.440 3.168 1.00 0.41 C ATOM 112 CG1 ILE A 8 -15.978 3.578 3.227 1.00 0.48 C ATOM 113 CG2 ILE A 8 -13.744 4.068 4.302 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.713 2.097 3.074 1.00 0.47 C ATOM 0 H ILE A 8 -14.441 6.025 1.206 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.135 5.987 3.532 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.186 4.246 2.235 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.481 3.751 4.178 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.662 3.898 2.442 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.507 3.006 4.244 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -12.828 4.650 4.202 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.208 4.285 5.264 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.655 1.551 3.126 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.238 1.910 2.111 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.054 1.761 3.875 1.00 0.47 H new ATOM 126 N PRO A 9 -14.654 6.883 5.342 1.00 0.31 N ATOM 127 CA PRO A 9 -13.995 7.596 6.422 1.00 0.28 C ATOM 128 C PRO A 9 -12.547 7.971 6.140 1.00 0.32 C ATOM 129 O PRO A 9 -11.628 7.338 6.651 1.00 0.38 O ATOM 130 CB PRO A 9 -14.099 6.510 7.478 1.00 0.31 C ATOM 131 CG PRO A 9 -15.469 5.929 7.276 1.00 0.35 C ATOM 132 CD PRO A 9 -15.872 6.269 5.861 1.00 0.35 C ATOM 0 HA PRO A 9 -14.429 8.567 6.658 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.323 5.755 7.350 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -13.984 6.919 8.482 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.459 4.850 7.428 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.177 6.346 7.992 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.157 5.383 5.293 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -16.720 6.954 5.831 1.00 0.35 H new ATOM 140 N ALA A 10 -12.361 9.016 5.337 1.00 0.36 N ATOM 141 CA ALA A 10 -11.044 9.390 4.842 1.00 0.44 C ATOM 142 C ALA A 10 -10.234 10.098 5.921 1.00 0.42 C ATOM 143 O ALA A 10 -10.505 11.249 6.259 1.00 0.53 O ATOM 144 CB ALA A 10 -11.174 10.269 3.603 1.00 0.62 C ATOM 0 H ALA A 10 -13.115 9.622 5.014 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.512 8.479 4.568 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.181 10.541 3.244 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -11.705 9.723 2.823 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -11.729 11.173 3.855 1.00 0.62 H new ATOM 150 N PRO A 11 -9.227 9.413 6.472 1.00 0.35 N ATOM 151 CA PRO A 11 -8.384 9.934 7.532 1.00 0.35 C ATOM 152 C PRO A 11 -7.190 10.695 6.973 1.00 0.39 C ATOM 153 O PRO A 11 -6.554 10.258 6.012 1.00 0.45 O ATOM 154 CB PRO A 11 -7.927 8.662 8.274 1.00 0.35 C ATOM 155 CG PRO A 11 -8.396 7.504 7.445 1.00 0.41 C ATOM 156 CD PRO A 11 -8.817 8.062 6.116 1.00 0.38 C ATOM 0 HA PRO A 11 -8.904 10.646 8.173 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -6.843 8.646 8.388 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.353 8.621 9.276 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -7.600 6.770 7.321 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.228 6.993 7.930 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -7.999 8.060 5.395 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -9.633 7.491 5.674 1.00 0.38 H new ATOM 164 N PRO A 12 -6.887 11.862 7.546 1.00 0.42 N ATOM 165 CA PRO A 12 -5.714 12.636 7.174 1.00 0.46 C ATOM 166 C PRO A 12 -4.434 11.954 7.620 1.00 0.44 C ATOM 167 O PRO A 12 -4.474 11.008 8.410 1.00 0.41 O ATOM 168 CB PRO A 12 -5.877 13.980 7.897 1.00 0.50 C ATOM 169 CG PRO A 12 -7.258 13.965 8.472 1.00 0.55 C ATOM 170 CD PRO A 12 -7.660 12.521 8.604 1.00 0.48 C ATOM 0 HA PRO A 12 -5.640 12.749 6.092 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.128 14.097 8.680 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.749 14.814 7.207 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.278 14.462 9.442 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.952 14.502 7.825 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.416 12.123 9.589 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.732 12.387 8.463 1.00 0.48 H new ATOM 178 N LEU A 13 -3.320 12.429 7.108 1.00 0.50 N ATOM 179 CA LEU A 13 -2.002 11.917 7.468 1.00 0.51 C ATOM 180 C LEU A 13 -1.886 11.711 8.969 1.00 0.49 C ATOM 181 O LEU A 13 -1.374 10.707 9.439 1.00 0.48 O ATOM 182 CB LEU A 13 -0.966 12.961 7.047 1.00 0.61 C ATOM 183 CG LEU A 13 0.397 12.413 6.617 1.00 0.60 C ATOM 184 CD1 LEU A 13 1.023 11.564 7.717 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.236 11.635 5.317 1.00 0.74 C ATOM 0 H LEU A 13 -3.295 13.186 6.425 1.00 0.50 H new ATOM 0 HA LEU A 13 -1.842 10.960 6.971 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.379 13.543 6.223 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -0.814 13.649 7.878 1.00 0.61 H new ATOM 0 HG LEU A 13 1.082 13.243 6.442 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.990 11.189 7.382 1.00 0.50 H new ATOM 0 HD12 LEU A 13 1.160 12.171 8.612 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.368 10.724 7.945 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.204 11.242 5.006 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.458 10.809 5.471 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.153 12.296 4.543 1.00 0.74 H new ATOM 197 N ILE A 14 -2.408 12.643 9.714 1.00 0.52 N ATOM 198 CA ILE A 14 -2.140 12.701 11.129 1.00 0.56 C ATOM 199 C ILE A 14 -2.870 11.593 11.907 1.00 0.54 C ATOM 200 O ILE A 14 -2.639 11.412 13.103 1.00 0.61 O ATOM 201 CB ILE A 14 -2.491 14.105 11.677 1.00 0.66 C ATOM 202 CG1 ILE A 14 -3.916 14.172 12.257 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.327 15.122 10.547 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.020 14.038 11.231 1.00 1.05 C ATOM 0 H ILE A 14 -3.025 13.378 9.367 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.074 12.525 11.275 1.00 0.56 H new ATOM 0 HB ILE A 14 -1.813 14.333 12.499 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.030 13.382 12.999 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.037 15.121 12.780 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.571 16.118 10.916 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.297 15.108 10.192 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.997 14.865 9.726 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -5.988 14.097 11.728 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.938 14.843 10.501 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.930 13.078 10.723 1.00 1.05 H new ATOM 216 N SER A 15 -3.736 10.843 11.225 1.00 0.46 N ATOM 217 CA SER A 15 -4.425 9.721 11.853 1.00 0.46 C ATOM 218 C SER A 15 -3.515 8.502 11.910 1.00 0.46 C ATOM 219 O SER A 15 -3.694 7.615 12.746 1.00 0.51 O ATOM 220 CB SER A 15 -5.703 9.369 11.086 1.00 0.42 C ATOM 221 OG SER A 15 -6.493 10.525 10.857 1.00 0.92 O ATOM 0 H SER A 15 -3.974 10.992 10.245 1.00 0.46 H new ATOM 0 HA SER A 15 -4.692 10.018 12.867 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.444 8.907 10.134 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.280 8.636 11.650 1.00 0.42 H new ATOM 0 HG SER A 15 -7.416 10.258 10.664 1.00 0.92 H new ATOM 227 N VAL A 16 -2.527 8.472 11.030 1.00 0.43 N ATOM 228 CA VAL A 16 -1.655 7.319 10.914 1.00 0.43 C ATOM 229 C VAL A 16 -0.366 7.524 11.713 1.00 0.45 C ATOM 230 O VAL A 16 0.243 8.597 11.675 1.00 0.50 O ATOM 231 CB VAL A 16 -1.323 7.013 9.428 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.477 8.114 8.798 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.633 5.664 9.294 1.00 0.45 C ATOM 0 H VAL A 16 -2.311 9.234 10.387 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.187 6.463 11.329 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.268 6.975 8.886 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.267 7.862 7.759 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.020 9.058 8.839 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.461 8.210 9.345 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.410 5.472 8.244 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.295 5.671 9.866 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.288 4.881 9.675 1.00 0.45 H new ATOM 243 N PRO A 17 0.031 6.514 12.503 1.00 0.46 N ATOM 244 CA PRO A 17 1.331 6.506 13.171 1.00 0.50 C ATOM 245 C PRO A 17 2.459 6.364 12.156 1.00 0.43 C ATOM 246 O PRO A 17 2.252 5.838 11.061 1.00 0.48 O ATOM 247 CB PRO A 17 1.269 5.280 14.086 1.00 0.59 C ATOM 248 CG PRO A 17 0.237 4.398 13.472 1.00 0.53 C ATOM 249 CD PRO A 17 -0.761 5.314 12.821 1.00 0.50 C ATOM 0 HA PRO A 17 1.528 7.429 13.717 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.235 4.779 14.142 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.996 5.559 15.104 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.685 3.726 12.740 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.241 3.774 14.227 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.191 4.867 11.924 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.590 5.546 13.490 1.00 0.50 H new ATOM 257 N LEU A 18 3.642 6.827 12.511 1.00 0.42 N ATOM 258 CA LEU A 18 4.749 6.841 11.573 1.00 0.38 C ATOM 259 C LEU A 18 5.955 6.096 12.136 1.00 0.33 C ATOM 260 O LEU A 18 6.152 6.050 13.352 1.00 0.35 O ATOM 261 CB LEU A 18 5.124 8.286 11.242 1.00 0.46 C ATOM 262 CG LEU A 18 6.047 8.451 10.039 1.00 0.63 C ATOM 263 CD1 LEU A 18 5.420 7.806 8.813 1.00 1.15 C ATOM 264 CD2 LEU A 18 6.330 9.924 9.787 1.00 1.07 C ATOM 0 H LEU A 18 3.861 7.196 13.436 1.00 0.42 H new ATOM 0 HA LEU A 18 4.438 6.331 10.661 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.210 8.851 11.060 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.605 8.730 12.114 1.00 0.46 H new ATOM 0 HG LEU A 18 6.994 7.954 10.248 1.00 0.63 H new ATOM 0 HD11 LEU A 18 6.085 7.928 7.958 1.00 1.15 H new ATOM 0 HD12 LEU A 18 5.262 6.744 9.001 1.00 1.15 H new ATOM 0 HD13 LEU A 18 4.463 8.283 8.600 1.00 1.15 H new ATOM 0 HD21 LEU A 18 6.990 10.026 8.925 1.00 1.07 H new ATOM 0 HD22 LEU A 18 5.394 10.446 9.590 1.00 1.07 H new ATOM 0 HD23 LEU A 18 6.810 10.358 10.665 1.00 1.07 H new ATOM 276 N GLN A 19 6.749 5.511 11.237 1.00 0.36 N ATOM 277 CA GLN A 19 7.949 4.769 11.617 1.00 0.47 C ATOM 278 C GLN A 19 8.993 5.732 12.189 1.00 0.62 C ATOM 279 O GLN A 19 9.499 6.605 11.476 1.00 0.68 O ATOM 280 CB GLN A 19 8.506 4.016 10.393 1.00 0.49 C ATOM 281 CG GLN A 19 9.472 2.885 10.727 1.00 1.04 C ATOM 282 CD GLN A 19 10.903 3.345 10.926 1.00 2.08 C ATOM 283 OE1 GLN A 19 11.321 4.352 10.371 1.00 2.68 O ATOM 284 NE2 GLN A 19 11.676 2.583 11.684 1.00 2.93 N ATOM 0 H GLN A 19 6.579 5.539 10.232 1.00 0.36 H new ATOM 0 HA GLN A 19 7.698 4.037 12.385 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.671 3.607 9.824 1.00 0.49 H new ATOM 0 HB3 GLN A 19 9.014 4.730 9.744 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.131 2.384 11.633 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.445 2.147 9.925 1.00 1.04 H new ATOM 0 HE21 GLN A 19 11.291 1.751 12.131 1.00 2.93 H new ATOM 0 HE22 GLN A 19 12.656 2.828 11.821 1.00 2.93 H new ATOM 293 N PRO A 20 9.300 5.607 13.492 1.00 0.92 N ATOM 294 CA PRO A 20 10.250 6.488 14.179 1.00 1.20 C ATOM 295 C PRO A 20 11.694 6.237 13.753 1.00 1.19 C ATOM 296 O PRO A 20 12.152 5.090 13.720 1.00 1.36 O ATOM 297 CB PRO A 20 10.069 6.142 15.665 1.00 1.58 C ATOM 298 CG PRO A 20 8.838 5.300 15.735 1.00 1.65 C ATOM 299 CD PRO A 20 8.742 4.606 14.408 1.00 1.15 C ATOM 0 HA PRO A 20 10.059 7.536 13.947 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.935 5.603 16.050 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.961 7.044 16.267 1.00 1.58 H new ATOM 0 HG2 PRO A 20 8.903 4.579 16.550 1.00 1.65 H new ATOM 0 HG3 PRO A 20 7.955 5.912 15.921 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.312 3.677 14.392 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.713 4.352 14.155 1.00 1.15 H new ATOM 307 N GLY A 21 12.405 7.317 13.448 1.00 1.32 N ATOM 308 CA GLY A 21 13.777 7.205 12.987 1.00 1.38 C ATOM 309 C GLY A 21 13.856 6.616 11.593 1.00 1.06 C ATOM 310 O GLY A 21 14.663 5.720 11.330 1.00 1.29 O ATOM 0 H GLY A 21 12.054 8.272 13.512 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.244 8.190 12.992 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.343 6.580 13.678 1.00 1.38 H new ATOM 314 N PHE A 22 13.017 7.125 10.700 1.00 0.69 N ATOM 315 CA PHE A 22 12.909 6.582 9.356 1.00 0.51 C ATOM 316 C PHE A 22 14.085 7.011 8.484 1.00 0.51 C ATOM 317 O PHE A 22 14.501 8.170 8.503 1.00 0.68 O ATOM 318 CB PHE A 22 11.588 7.021 8.713 1.00 0.71 C ATOM 319 CG PHE A 22 11.394 6.474 7.331 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.816 5.228 7.134 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.806 7.203 6.225 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.658 4.726 5.862 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.647 6.703 4.953 1.00 2.66 C ATOM 324 CZ PHE A 22 11.074 5.464 4.772 1.00 2.32 C ATOM 0 H PHE A 22 12.400 7.916 10.885 1.00 0.69 H new ATOM 0 HA PHE A 22 12.928 5.495 9.433 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.760 6.699 9.344 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.554 8.110 8.674 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.488 4.648 7.984 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.257 8.174 6.364 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.209 3.755 5.717 1.00 1.43 H new ATOM 0 HE2 PHE A 22 11.970 7.280 4.099 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.950 5.069 3.775 1.00 2.32 H new ATOM 334 N TRP A 23 14.609 6.066 7.714 1.00 0.48 N ATOM 335 CA TRP A 23 15.688 6.348 6.780 1.00 0.57 C ATOM 336 C TRP A 23 15.387 5.725 5.417 1.00 0.50 C ATOM 337 O TRP A 23 14.743 4.679 5.350 1.00 0.51 O ATOM 338 CB TRP A 23 17.022 5.827 7.333 1.00 0.78 C ATOM 339 CG TRP A 23 18.177 6.017 6.397 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.843 5.044 5.709 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.796 7.258 6.041 1.00 2.01 C ATOM 342 NE1 TRP A 23 19.838 5.603 4.944 1.00 3.05 N ATOM 343 CE2 TRP A 23 19.830 6.961 5.133 1.00 2.82 C ATOM 344 CE3 TRP A 23 18.576 8.591 6.401 1.00 2.70 C ATOM 345 CZ2 TRP A 23 20.641 7.949 4.581 1.00 3.70 C ATOM 346 CZ3 TRP A 23 19.382 9.569 5.853 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.403 9.244 4.951 1.00 4.03 C ATOM 0 H TRP A 23 14.301 5.093 7.719 1.00 0.48 H new ATOM 0 HA TRP A 23 15.768 7.428 6.653 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.239 6.336 8.272 1.00 0.78 H new ATOM 0 HB3 TRP A 23 16.921 4.766 7.561 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.620 3.988 5.759 1.00 2.36 H new ATOM 0 HE1 TRP A 23 20.477 5.092 4.336 1.00 3.05 H new ATOM 0 HE3 TRP A 23 17.790 8.851 7.095 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 21.430 7.702 3.886 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 19.222 10.602 6.124 1.00 3.72 H new ATOM 0 HH2 TRP A 23 21.015 10.033 4.539 1.00 4.03 H new ATOM 358 N THR A 24 15.852 6.369 4.349 1.00 0.50 N ATOM 359 CA THR A 24 15.566 5.946 2.978 1.00 0.47 C ATOM 360 C THR A 24 15.830 4.460 2.752 1.00 0.46 C ATOM 361 O THR A 24 14.929 3.700 2.389 1.00 0.48 O ATOM 362 CB THR A 24 16.442 6.742 2.002 1.00 0.50 C ATOM 363 OG1 THR A 24 17.646 7.158 2.661 1.00 0.58 O ATOM 364 CG2 THR A 24 15.703 7.948 1.462 1.00 0.53 C ATOM 0 H THR A 24 16.439 7.201 4.409 1.00 0.50 H new ATOM 0 HA THR A 24 14.506 6.133 2.806 1.00 0.47 H new ATOM 0 HB THR A 24 16.692 6.096 1.161 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.204 7.665 2.034 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.349 8.492 0.773 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.806 7.620 0.936 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.421 8.601 2.288 1.00 0.53 H new ATOM 372 N GLU A 25 17.063 4.055 3.015 1.00 0.53 N ATOM 373 CA GLU A 25 17.529 2.718 2.675 1.00 0.60 C ATOM 374 C GLU A 25 16.894 1.649 3.562 1.00 0.60 C ATOM 375 O GLU A 25 16.954 0.458 3.254 1.00 0.63 O ATOM 376 CB GLU A 25 19.048 2.662 2.795 1.00 0.71 C ATOM 377 CG GLU A 25 19.755 3.732 1.982 1.00 1.31 C ATOM 378 CD GLU A 25 21.243 3.753 2.233 1.00 1.63 C ATOM 379 OE1 GLU A 25 21.668 4.338 3.251 1.00 1.88 O ATOM 380 OE2 GLU A 25 21.995 3.172 1.423 1.00 1.94 O ATOM 0 H GLU A 25 17.766 4.639 3.468 1.00 0.53 H new ATOM 0 HA GLU A 25 17.229 2.509 1.648 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.327 2.769 3.843 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.395 1.681 2.471 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.570 3.561 0.922 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.334 4.707 2.225 1.00 1.31 H new ATOM 387 N ARG A 26 16.282 2.075 4.661 1.00 0.64 N ATOM 388 CA ARG A 26 15.641 1.140 5.578 1.00 0.76 C ATOM 389 C ARG A 26 14.250 0.787 5.064 1.00 0.71 C ATOM 390 O ARG A 26 13.579 -0.098 5.592 1.00 0.87 O ATOM 391 CB ARG A 26 15.560 1.727 6.991 1.00 0.96 C ATOM 392 CG ARG A 26 16.889 2.261 7.504 1.00 1.62 C ATOM 393 CD ARG A 26 17.991 1.212 7.448 1.00 2.07 C ATOM 394 NE ARG A 26 17.823 0.160 8.449 1.00 2.61 N ATOM 395 CZ ARG A 26 18.620 -0.908 8.543 1.00 3.42 C ATOM 396 NH1 ARG A 26 19.604 -1.088 7.668 1.00 3.88 N ATOM 397 NH2 ARG A 26 18.434 -1.792 9.514 1.00 4.18 N ATOM 0 H ARG A 26 16.216 3.055 4.937 1.00 0.64 H new ATOM 0 HA ARG A 26 16.243 0.233 5.628 1.00 0.76 H new ATOM 0 HB2 ARG A 26 14.826 2.533 6.999 1.00 0.96 H new ATOM 0 HB3 ARG A 26 15.198 0.959 7.675 1.00 0.96 H new ATOM 0 HG2 ARG A 26 17.184 3.127 6.911 1.00 1.62 H new ATOM 0 HG3 ARG A 26 16.768 2.604 8.532 1.00 1.62 H new ATOM 0 HD2 ARG A 26 18.009 0.763 6.455 1.00 2.07 H new ATOM 0 HD3 ARG A 26 18.956 1.697 7.596 1.00 2.07 H new ATOM 0 HE ARG A 26 17.054 0.246 9.113 1.00 2.61 H new ATOM 0 HH11 ARG A 26 19.753 -0.409 6.921 1.00 3.88 H new ATOM 0 HH12 ARG A 26 20.210 -1.905 7.743 1.00 3.88 H new ATOM 0 HH21 ARG A 26 17.682 -1.657 10.190 1.00 4.18 H new ATOM 0 HH22 ARG A 26 19.043 -2.607 9.585 1.00 4.18 H new ATOM 411 N PHE A 27 13.832 1.494 4.022 1.00 0.59 N ATOM 412 CA PHE A 27 12.569 1.225 3.355 1.00 0.61 C ATOM 413 C PHE A 27 12.867 0.795 1.919 1.00 0.51 C ATOM 414 O PHE A 27 12.093 1.043 0.997 1.00 0.72 O ATOM 415 CB PHE A 27 11.691 2.483 3.377 1.00 0.71 C ATOM 416 CG PHE A 27 10.206 2.224 3.309 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.476 1.985 4.465 1.00 0.95 C ATOM 418 CD2 PHE A 27 9.536 2.238 2.095 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.116 1.762 4.412 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.173 2.014 2.037 1.00 2.21 C ATOM 421 CZ PHE A 27 7.462 1.775 3.197 1.00 2.03 C ATOM 0 H PHE A 27 14.359 2.268 3.618 1.00 0.59 H new ATOM 0 HA PHE A 27 12.028 0.429 3.868 1.00 0.61 H new ATOM 0 HB2 PHE A 27 11.906 3.042 4.288 1.00 0.71 H new ATOM 0 HB3 PHE A 27 11.973 3.119 2.538 1.00 0.71 H new ATOM 0 HD1 PHE A 27 9.980 1.973 5.420 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.085 2.426 1.184 1.00 1.74 H new ATOM 0 HE1 PHE A 27 7.563 1.577 5.321 1.00 1.39 H new ATOM 0 HE2 PHE A 27 7.664 2.026 1.085 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.397 1.599 3.153 1.00 2.03 H new ATOM 431 N GLN A 28 14.019 0.159 1.747 1.00 0.40 N ATOM 432 CA GLN A 28 14.481 -0.271 0.437 1.00 0.31 C ATOM 433 C GLN A 28 14.573 -1.786 0.361 1.00 0.30 C ATOM 434 O GLN A 28 15.056 -2.443 1.286 1.00 0.37 O ATOM 435 CB GLN A 28 15.842 0.358 0.125 1.00 0.28 C ATOM 436 CG GLN A 28 16.618 -0.343 -0.980 1.00 0.45 C ATOM 437 CD GLN A 28 17.982 0.272 -1.226 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.600 0.841 -0.325 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.469 0.151 -2.449 1.00 1.23 N ATOM 0 H GLN A 28 14.656 -0.072 2.510 1.00 0.40 H new ATOM 0 HA GLN A 28 13.756 0.062 -0.306 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.691 1.400 -0.158 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.446 0.358 1.033 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.741 -1.394 -0.720 1.00 0.45 H new ATOM 0 HG3 GLN A 28 16.038 -0.309 -1.902 1.00 0.45 H new ATOM 0 HE21 GLN A 28 17.927 -0.327 -3.169 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.387 0.536 -2.673 1.00 1.23 H new ATOM 448 N GLY A 29 14.109 -2.330 -0.747 1.00 0.29 N ATOM 449 CA GLY A 29 14.165 -3.758 -0.951 1.00 0.32 C ATOM 450 C GLY A 29 12.821 -4.362 -1.276 1.00 0.30 C ATOM 451 O GLY A 29 11.925 -3.684 -1.778 1.00 0.28 O ATOM 0 H GLY A 29 13.691 -1.805 -1.515 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.860 -3.976 -1.761 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.562 -4.232 -0.054 1.00 0.32 H new ATOM 455 N ARG A 30 12.684 -5.646 -0.983 1.00 0.35 N ATOM 456 CA ARG A 30 11.496 -6.395 -1.351 1.00 0.36 C ATOM 457 C ARG A 30 10.453 -6.351 -0.247 1.00 0.39 C ATOM 458 O ARG A 30 10.684 -6.848 0.853 1.00 0.51 O ATOM 459 CB ARG A 30 11.845 -7.859 -1.653 1.00 0.46 C ATOM 460 CG ARG A 30 12.593 -8.080 -2.962 1.00 0.51 C ATOM 461 CD ARG A 30 14.025 -7.559 -2.901 1.00 0.66 C ATOM 462 NE ARG A 30 14.761 -8.121 -1.769 1.00 1.20 N ATOM 463 CZ ARG A 30 15.717 -7.479 -1.096 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.136 -6.281 -1.496 1.00 1.65 N ATOM 465 NH2 ARG A 30 16.265 -8.051 -0.036 1.00 2.57 N ATOM 0 H ARG A 30 13.388 -6.193 -0.487 1.00 0.35 H new ATOM 0 HA ARG A 30 11.086 -5.928 -2.246 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.450 -8.250 -0.835 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.923 -8.441 -1.675 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.605 -9.144 -3.197 1.00 0.51 H new ATOM 0 HG3 ARG A 30 12.061 -7.581 -3.772 1.00 0.51 H new ATOM 0 HD2 ARG A 30 14.541 -7.806 -3.829 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.013 -6.472 -2.823 1.00 0.66 H new ATOM 0 HE ARG A 30 14.527 -9.069 -1.474 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.726 -5.847 -2.323 1.00 1.65 H new ATOM 0 HH12 ARG A 30 16.868 -5.797 -0.976 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.956 -8.976 0.261 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.997 -7.566 0.484 1.00 2.57 H new ATOM 479 N TRP A 31 9.315 -5.745 -0.539 1.00 0.34 N ATOM 480 CA TRP A 31 8.188 -5.782 0.374 1.00 0.42 C ATOM 481 C TRP A 31 7.020 -6.520 -0.262 1.00 0.34 C ATOM 482 O TRP A 31 6.522 -6.148 -1.328 1.00 0.34 O ATOM 483 CB TRP A 31 7.783 -4.379 0.821 1.00 0.55 C ATOM 484 CG TRP A 31 8.377 -3.989 2.142 1.00 0.85 C ATOM 485 CD1 TRP A 31 7.742 -3.985 3.349 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.721 -3.562 2.397 1.00 0.74 C ATOM 487 NE1 TRP A 31 8.602 -3.574 4.334 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.821 -3.311 3.778 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.849 -3.364 1.595 1.00 1.79 C ATOM 490 CZ2 TRP A 31 11.000 -2.874 4.372 1.00 0.90 C ATOM 491 CZ3 TRP A 31 12.017 -2.932 2.188 1.00 2.36 C ATOM 492 CH2 TRP A 31 12.087 -2.691 3.566 1.00 1.70 C ATOM 0 H TRP A 31 9.148 -5.223 -1.399 1.00 0.34 H new ATOM 0 HA TRP A 31 8.492 -6.326 1.268 1.00 0.42 H new ATOM 0 HB2 TRP A 31 8.092 -3.659 0.063 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.696 -4.325 0.888 1.00 0.55 H new ATOM 0 HD1 TRP A 31 6.711 -4.265 3.506 1.00 1.94 H new ATOM 0 HE1 TRP A 31 8.369 -3.480 5.323 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.807 -3.546 0.531 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.054 -2.686 5.434 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.895 -2.777 1.578 1.00 2.36 H new ATOM 0 HH2 TRP A 31 13.017 -2.354 3.999 1.00 1.70 H new ATOM 503 N PHE A 32 6.616 -7.584 0.402 1.00 0.31 N ATOM 504 CA PHE A 32 5.593 -8.483 -0.101 1.00 0.30 C ATOM 505 C PHE A 32 4.257 -8.235 0.598 1.00 0.29 C ATOM 506 O PHE A 32 4.214 -8.082 1.812 1.00 0.33 O ATOM 507 CB PHE A 32 6.067 -9.921 0.122 1.00 0.38 C ATOM 508 CG PHE A 32 4.976 -10.944 0.144 1.00 0.63 C ATOM 509 CD1 PHE A 32 4.381 -11.369 -1.025 1.00 0.68 C ATOM 510 CD2 PHE A 32 4.557 -11.490 1.346 1.00 1.10 C ATOM 511 CE1 PHE A 32 3.386 -12.318 -0.997 1.00 1.17 C ATOM 512 CE2 PHE A 32 3.561 -12.441 1.381 1.00 1.62 C ATOM 513 CZ PHE A 32 2.976 -12.857 0.208 1.00 1.64 C ATOM 0 H PHE A 32 6.990 -7.852 1.312 1.00 0.31 H new ATOM 0 HA PHE A 32 5.436 -8.306 -1.165 1.00 0.30 H new ATOM 0 HB2 PHE A 32 6.775 -10.182 -0.665 1.00 0.38 H new ATOM 0 HB3 PHE A 32 6.609 -9.968 1.066 1.00 0.38 H new ATOM 0 HD1 PHE A 32 4.699 -10.953 -1.970 1.00 0.68 H new ATOM 0 HD2 PHE A 32 5.017 -11.166 2.268 1.00 1.10 H new ATOM 0 HE1 PHE A 32 2.924 -12.643 -1.918 1.00 1.17 H new ATOM 0 HE2 PHE A 32 3.241 -12.858 2.325 1.00 1.62 H new ATOM 0 HZ PHE A 32 2.197 -13.604 0.228 1.00 1.64 H new ATOM 523 N VAL A 33 3.172 -8.196 -0.168 1.00 0.28 N ATOM 524 CA VAL A 33 1.856 -7.935 0.410 1.00 0.30 C ATOM 525 C VAL A 33 1.230 -9.202 0.946 1.00 0.31 C ATOM 526 O VAL A 33 1.299 -10.255 0.317 1.00 0.52 O ATOM 527 CB VAL A 33 0.860 -7.346 -0.597 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.163 -6.478 0.118 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.575 -6.576 -1.676 1.00 0.74 C ATOM 0 H VAL A 33 3.175 -8.340 -1.178 1.00 0.28 H new ATOM 0 HA VAL A 33 2.041 -7.213 1.205 1.00 0.30 H new ATOM 0 HB VAL A 33 0.330 -8.167 -1.080 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -0.863 -6.067 -0.609 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -0.707 -7.081 0.845 1.00 0.74 H new ATOM 0 HG13 VAL A 33 0.347 -5.663 0.632 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.846 -6.169 -2.377 1.00 0.74 H new ATOM 0 HG22 VAL A 33 2.141 -5.760 -1.227 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.256 -7.241 -2.207 1.00 0.74 H new ATOM 539 N VAL A 34 0.592 -9.087 2.093 1.00 0.20 N ATOM 540 CA VAL A 34 -0.094 -10.220 2.690 1.00 0.25 C ATOM 541 C VAL A 34 -1.545 -9.856 3.006 1.00 0.28 C ATOM 542 O VAL A 34 -2.391 -10.735 3.185 1.00 0.47 O ATOM 543 CB VAL A 34 0.603 -10.704 3.981 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.316 -12.177 4.225 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.100 -10.457 3.924 1.00 0.29 C ATOM 0 H VAL A 34 0.533 -8.223 2.631 1.00 0.20 H new ATOM 0 HA VAL A 34 -0.064 -11.031 1.963 1.00 0.25 H new ATOM 0 HB VAL A 34 0.199 -10.128 4.814 1.00 0.30 H new ATOM 0 HG11 VAL A 34 0.816 -12.499 5.139 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.759 -12.326 4.327 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.685 -12.764 3.384 1.00 0.40 H new ATOM 0 HG21 VAL A 34 2.562 -10.808 4.847 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.526 -10.995 3.077 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.288 -9.390 3.807 1.00 0.29 H new ATOM 555 N GLY A 35 -1.839 -8.558 3.056 1.00 0.19 N ATOM 556 CA GLY A 35 -3.198 -8.121 3.336 1.00 0.19 C ATOM 557 C GLY A 35 -3.499 -6.742 2.777 1.00 0.17 C ATOM 558 O GLY A 35 -2.580 -5.996 2.432 1.00 0.18 O ATOM 0 H GLY A 35 -1.166 -7.806 2.909 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.900 -8.840 2.914 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.358 -8.114 4.414 1.00 0.19 H new ATOM 562 N LEU A 36 -4.784 -6.393 2.705 1.00 0.17 N ATOM 563 CA LEU A 36 -5.204 -5.108 2.158 1.00 0.18 C ATOM 564 C LEU A 36 -6.586 -4.717 2.676 1.00 0.16 C ATOM 565 O LEU A 36 -7.505 -5.525 2.695 1.00 0.18 O ATOM 566 CB LEU A 36 -5.243 -5.171 0.638 1.00 0.20 C ATOM 567 CG LEU A 36 -5.286 -3.810 -0.062 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.921 -3.148 -0.018 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.754 -3.958 -1.493 1.00 0.30 C ATOM 0 H LEU A 36 -5.552 -6.986 3.020 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.481 -4.358 2.478 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.366 -5.715 0.289 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -6.117 -5.747 0.335 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.998 -3.176 0.467 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.969 -2.182 -0.520 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.620 -3.003 1.020 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.192 -3.783 -0.522 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.777 -2.979 -1.971 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -5.069 -4.610 -2.034 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.754 -4.392 -1.506 1.00 0.30 H new ATOM 581 N ALA A 37 -6.727 -3.467 3.065 1.00 0.17 N ATOM 582 CA ALA A 37 -7.988 -2.941 3.578 1.00 0.18 C ATOM 583 C ALA A 37 -8.260 -1.603 2.925 1.00 0.24 C ATOM 584 O ALA A 37 -7.357 -0.786 2.815 1.00 0.43 O ATOM 585 CB ALA A 37 -7.917 -2.752 5.086 1.00 0.25 C ATOM 0 H ALA A 37 -5.973 -2.781 3.037 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.786 -3.648 3.351 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.867 -2.359 5.449 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.715 -3.711 5.564 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -7.118 -2.051 5.328 1.00 0.25 H new ATOM 591 N GLY A 38 -9.483 -1.365 2.488 1.00 0.22 N ATOM 592 CA GLY A 38 -9.773 -0.106 1.841 1.00 0.26 C ATOM 593 C GLY A 38 -11.097 -0.077 1.134 1.00 0.25 C ATOM 594 O GLY A 38 -11.591 -1.098 0.672 1.00 0.26 O ATOM 0 H GLY A 38 -10.270 -2.009 2.567 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.753 0.688 2.587 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.983 0.112 1.122 1.00 0.26 H new ATOM 598 N ASN A 39 -11.672 1.110 1.048 1.00 0.26 N ATOM 599 CA ASN A 39 -12.955 1.291 0.388 1.00 0.27 C ATOM 600 C ASN A 39 -12.818 0.990 -1.106 1.00 0.32 C ATOM 601 O ASN A 39 -13.763 0.562 -1.765 1.00 0.40 O ATOM 602 CB ASN A 39 -13.458 2.723 0.601 1.00 0.31 C ATOM 603 CG ASN A 39 -14.728 3.046 -0.180 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.605 2.202 -0.349 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.823 4.275 -0.668 1.00 1.73 N ATOM 0 H ASN A 39 -11.269 1.967 1.428 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.680 0.601 0.820 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.645 2.879 1.663 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.674 3.422 0.309 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -15.646 4.548 -1.205 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -14.073 4.947 -0.506 1.00 1.73 H new ATOM 612 N ALA A 40 -11.612 1.204 -1.620 1.00 0.34 N ATOM 613 CA ALA A 40 -11.313 0.977 -3.028 1.00 0.41 C ATOM 614 C ALA A 40 -10.714 -0.414 -3.232 1.00 0.39 C ATOM 615 O ALA A 40 -10.360 -0.800 -4.347 1.00 0.45 O ATOM 616 CB ALA A 40 -10.358 2.054 -3.510 1.00 0.46 C ATOM 0 H ALA A 40 -10.818 1.538 -1.075 1.00 0.34 H new ATOM 0 HA ALA A 40 -12.234 1.028 -3.609 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -10.129 1.892 -4.563 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.821 3.033 -3.386 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -9.438 2.011 -2.927 1.00 0.46 H new ATOM 622 N VAL A 41 -10.594 -1.144 -2.133 1.00 0.34 N ATOM 623 CA VAL A 41 -10.102 -2.520 -2.145 1.00 0.33 C ATOM 624 C VAL A 41 -11.055 -3.449 -2.904 1.00 0.42 C ATOM 625 O VAL A 41 -12.277 -3.336 -2.789 1.00 0.46 O ATOM 626 CB VAL A 41 -9.898 -3.043 -0.692 1.00 0.28 C ATOM 627 CG1 VAL A 41 -10.123 -4.547 -0.594 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.503 -2.700 -0.202 1.00 0.30 C ATOM 0 H VAL A 41 -10.835 -0.801 -1.203 1.00 0.34 H new ATOM 0 HA VAL A 41 -9.142 -2.519 -2.662 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.639 -2.551 -0.061 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.971 -4.871 0.435 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -11.141 -4.783 -0.902 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.418 -5.064 -1.245 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.373 -3.071 0.815 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.764 -3.164 -0.855 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.369 -1.618 -0.213 1.00 0.30 H new ATOM 638 N GLN A 42 -10.481 -4.358 -3.692 1.00 0.55 N ATOM 639 CA GLN A 42 -11.260 -5.387 -4.375 1.00 0.69 C ATOM 640 C GLN A 42 -11.732 -6.440 -3.375 1.00 0.60 C ATOM 641 O GLN A 42 -11.152 -7.525 -3.261 1.00 0.70 O ATOM 642 CB GLN A 42 -10.427 -6.046 -5.481 1.00 0.93 C ATOM 643 CG GLN A 42 -10.209 -5.168 -6.706 1.00 1.49 C ATOM 644 CD GLN A 42 -11.467 -4.992 -7.542 1.00 1.84 C ATOM 645 OE1 GLN A 42 -12.587 -5.000 -7.026 1.00 2.44 O ATOM 646 NE2 GLN A 42 -11.291 -4.836 -8.846 1.00 2.35 N ATOM 0 H GLN A 42 -9.478 -4.401 -3.872 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.131 -4.916 -4.831 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.457 -6.326 -5.071 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -10.920 -6.967 -5.791 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -9.852 -4.189 -6.386 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -9.426 -5.606 -7.325 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -10.349 -4.835 -9.237 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -12.098 -4.717 -9.459 1.00 2.35 H new ATOM 655 N LYS A 43 -12.788 -6.104 -2.652 1.00 0.50 N ATOM 656 CA LYS A 43 -13.340 -6.973 -1.629 1.00 0.48 C ATOM 657 C LYS A 43 -14.739 -7.425 -2.050 1.00 0.59 C ATOM 658 O LYS A 43 -15.709 -6.690 -1.877 1.00 0.69 O ATOM 659 CB LYS A 43 -13.406 -6.211 -0.297 1.00 0.43 C ATOM 660 CG LYS A 43 -13.304 -7.073 0.950 1.00 0.57 C ATOM 661 CD LYS A 43 -14.126 -8.340 0.886 1.00 0.55 C ATOM 662 CE LYS A 43 -13.588 -9.345 1.880 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.881 -8.959 3.289 1.00 0.97 N ATOM 0 H LYS A 43 -13.286 -5.220 -2.759 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.706 -7.851 -1.505 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.601 -5.476 -0.278 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.344 -5.657 -0.260 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.259 -7.337 1.113 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.623 -6.487 1.812 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -15.170 -8.119 1.106 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -14.093 -8.756 -0.121 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -14.023 -10.323 1.676 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.510 -9.442 1.749 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -14.225 -9.789 3.812 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -13.014 -8.602 3.739 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.609 -8.216 3.301 1.00 0.97 H new ATOM 677 N GLU A 44 -14.844 -8.621 -2.611 1.00 0.68 N ATOM 678 CA GLU A 44 -16.142 -9.135 -3.034 1.00 0.80 C ATOM 679 C GLU A 44 -16.852 -9.815 -1.869 1.00 0.76 C ATOM 680 O GLU A 44 -17.949 -9.418 -1.480 1.00 0.88 O ATOM 681 CB GLU A 44 -16.020 -10.081 -4.244 1.00 0.94 C ATOM 682 CG GLU A 44 -14.614 -10.603 -4.521 1.00 0.95 C ATOM 683 CD GLU A 44 -14.230 -11.763 -3.638 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.905 -11.542 -2.457 1.00 2.22 O ATOM 685 OE2 GLU A 44 -14.253 -12.900 -4.127 1.00 2.00 O ATOM 0 H GLU A 44 -14.058 -9.248 -2.783 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.745 -8.286 -3.356 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.682 -10.933 -4.087 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -16.378 -9.558 -5.131 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -14.546 -10.910 -5.565 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -13.898 -9.794 -4.380 1.00 0.95 H new ATOM 692 N ARG A 45 -16.209 -10.821 -1.307 1.00 0.70 N ATOM 693 CA ARG A 45 -16.718 -11.497 -0.126 1.00 0.79 C ATOM 694 C ARG A 45 -15.564 -12.156 0.613 1.00 0.79 C ATOM 695 O ARG A 45 -15.577 -12.281 1.837 1.00 0.90 O ATOM 696 CB ARG A 45 -17.770 -12.544 -0.503 1.00 0.94 C ATOM 697 CG ARG A 45 -18.382 -13.238 0.703 1.00 1.54 C ATOM 698 CD ARG A 45 -19.088 -12.246 1.609 1.00 1.86 C ATOM 699 NE ARG A 45 -19.200 -12.743 2.977 1.00 2.25 N ATOM 700 CZ ARG A 45 -19.840 -12.105 3.954 1.00 2.90 C ATOM 701 NH1 ARG A 45 -20.515 -10.991 3.703 1.00 3.09 N ATOM 702 NH2 ARG A 45 -19.822 -12.593 5.184 1.00 3.78 N ATOM 0 H ARG A 45 -15.324 -11.192 -1.653 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.195 -10.761 0.521 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.562 -12.064 -1.078 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -17.313 -13.292 -1.152 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -19.090 -13.996 0.369 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -17.602 -13.754 1.263 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -18.543 -11.302 1.609 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.083 -12.039 1.215 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.760 -13.636 3.198 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -20.547 -10.617 2.755 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -21.002 -10.509 4.458 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -19.318 -13.457 5.382 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -20.312 -12.105 5.934 1.00 3.78 H new ATOM 716 N GLN A 46 -14.552 -12.545 -0.144 1.00 0.80 N ATOM 717 CA GLN A 46 -13.383 -13.206 0.411 1.00 0.94 C ATOM 718 C GLN A 46 -12.162 -12.319 0.232 1.00 0.86 C ATOM 719 O GLN A 46 -11.606 -11.793 1.195 1.00 0.94 O ATOM 720 CB GLN A 46 -13.133 -14.540 -0.300 1.00 1.13 C ATOM 721 CG GLN A 46 -14.365 -15.415 -0.423 1.00 1.36 C ATOM 722 CD GLN A 46 -14.835 -15.961 0.911 1.00 1.85 C ATOM 723 OE1 GLN A 46 -15.657 -15.350 1.594 1.00 2.42 O ATOM 724 NE2 GLN A 46 -14.323 -17.119 1.292 1.00 2.45 N ATOM 0 H GLN A 46 -14.517 -12.413 -1.155 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.561 -13.391 1.470 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.741 -14.340 -1.297 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -12.363 -15.089 0.241 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -15.170 -14.838 -0.878 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -14.149 -16.246 -1.094 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -13.644 -17.596 0.699 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -14.607 -17.535 2.179 1.00 2.45 H new ATOM 733 N SER A 47 -11.808 -12.112 -1.032 1.00 0.79 N ATOM 734 CA SER A 47 -10.586 -11.425 -1.412 1.00 0.80 C ATOM 735 C SER A 47 -10.372 -11.549 -2.917 1.00 0.82 C ATOM 736 O SER A 47 -9.952 -12.597 -3.404 1.00 0.93 O ATOM 737 CB SER A 47 -9.378 -12.010 -0.663 1.00 0.93 C ATOM 738 OG SER A 47 -9.373 -13.431 -0.718 1.00 1.58 O ATOM 0 H SER A 47 -12.369 -12.421 -1.826 1.00 0.79 H new ATOM 0 HA SER A 47 -10.682 -10.373 -1.144 1.00 0.80 H new ATOM 0 HB2 SER A 47 -8.456 -11.624 -1.098 1.00 0.93 H new ATOM 0 HB3 SER A 47 -9.400 -11.685 0.377 1.00 0.93 H new ATOM 0 HG SER A 47 -9.581 -13.724 -1.630 1.00 1.58 H new ATOM 744 N ARG A 48 -10.697 -10.503 -3.662 1.00 0.81 N ATOM 745 CA ARG A 48 -10.451 -10.515 -5.097 1.00 0.90 C ATOM 746 C ARG A 48 -9.119 -9.843 -5.388 1.00 0.92 C ATOM 747 O ARG A 48 -8.593 -9.924 -6.497 1.00 1.64 O ATOM 748 CB ARG A 48 -11.576 -9.825 -5.871 1.00 0.95 C ATOM 749 CG ARG A 48 -11.700 -10.331 -7.300 1.00 1.22 C ATOM 750 CD ARG A 48 -12.052 -11.812 -7.315 1.00 1.72 C ATOM 751 NE ARG A 48 -11.830 -12.430 -8.622 1.00 2.25 N ATOM 752 CZ ARG A 48 -11.867 -13.745 -8.832 1.00 2.93 C ATOM 753 NH1 ARG A 48 -12.176 -14.572 -7.838 1.00 3.36 N ATOM 754 NH2 ARG A 48 -11.604 -14.237 -10.034 1.00 3.61 N ATOM 0 H ARG A 48 -11.125 -9.648 -3.305 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.419 -11.553 -5.429 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.520 -9.984 -5.350 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.396 -8.750 -5.885 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -12.467 -9.764 -7.827 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -10.762 -10.169 -7.832 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -11.455 -12.331 -6.566 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -13.097 -11.936 -7.031 1.00 1.72 H new ATOM 0 HE ARG A 48 -11.636 -11.820 -9.417 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -12.386 -14.200 -6.912 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -12.204 -15.578 -8.002 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -11.372 -13.608 -10.803 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -11.633 -15.245 -10.190 1.00 3.61 H new ATOM 768 N PHE A 49 -8.587 -9.174 -4.373 1.00 0.49 N ATOM 769 CA PHE A 49 -7.262 -8.591 -4.453 1.00 0.42 C ATOM 770 C PHE A 49 -6.212 -9.691 -4.409 1.00 0.59 C ATOM 771 O PHE A 49 -6.437 -10.766 -3.861 1.00 1.46 O ATOM 772 CB PHE A 49 -7.038 -7.603 -3.305 1.00 0.35 C ATOM 773 CG PHE A 49 -5.658 -7.015 -3.249 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.167 -6.236 -4.285 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.848 -7.264 -2.155 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.889 -5.712 -4.227 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.568 -6.745 -2.092 1.00 0.30 C ATOM 778 CZ PHE A 49 -3.089 -5.966 -3.130 1.00 0.37 C ATOM 0 H PHE A 49 -9.059 -9.023 -3.482 1.00 0.49 H new ATOM 0 HA PHE A 49 -7.175 -8.049 -5.395 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.761 -6.792 -3.394 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.242 -8.110 -2.362 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.789 -6.037 -5.145 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.220 -7.870 -1.342 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.516 -5.105 -5.039 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.944 -6.947 -1.234 1.00 0.30 H new ATOM 0 HZ PHE A 49 -2.091 -5.557 -3.083 1.00 0.37 H new ATOM 788 N THR A 50 -5.062 -9.388 -4.950 1.00 0.46 N ATOM 789 CA THR A 50 -3.991 -10.354 -5.098 1.00 0.42 C ATOM 790 C THR A 50 -2.660 -9.721 -4.721 1.00 0.47 C ATOM 791 O THR A 50 -2.396 -8.566 -5.051 1.00 0.84 O ATOM 792 CB THR A 50 -3.916 -10.898 -6.541 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.209 -9.850 -7.475 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.875 -12.066 -6.749 1.00 0.82 C ATOM 0 H THR A 50 -4.834 -8.459 -5.305 1.00 0.46 H new ATOM 0 HA THR A 50 -4.202 -11.189 -4.430 1.00 0.42 H new ATOM 0 HB THR A 50 -2.903 -11.263 -6.710 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.158 -10.202 -8.388 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.796 -12.424 -7.776 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.619 -12.873 -6.063 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.896 -11.737 -6.558 1.00 0.82 H new ATOM 802 N MET A 51 -1.846 -10.480 -4.006 1.00 0.25 N ATOM 803 CA MET A 51 -0.535 -10.006 -3.563 1.00 0.24 C ATOM 804 C MET A 51 0.388 -9.722 -4.738 1.00 0.26 C ATOM 805 O MET A 51 0.373 -10.418 -5.754 1.00 0.29 O ATOM 806 CB MET A 51 0.134 -11.033 -2.652 1.00 0.25 C ATOM 807 CG MET A 51 0.417 -12.354 -3.353 1.00 0.31 C ATOM 808 SD MET A 51 0.941 -13.670 -2.239 1.00 0.50 S ATOM 809 CE MET A 51 -0.205 -13.464 -0.878 1.00 1.00 C ATOM 0 H MET A 51 -2.067 -11.433 -3.716 1.00 0.25 H new ATOM 0 HA MET A 51 -0.705 -9.079 -3.015 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.070 -10.621 -2.274 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.505 -11.216 -1.788 1.00 0.25 H new ATOM 0 HG2 MET A 51 -0.481 -12.674 -3.881 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.191 -12.197 -4.105 1.00 0.31 H new ATOM 0 HE1 MET A 51 -0.197 -14.360 -0.257 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.093 -12.604 -0.279 1.00 1.00 H new ATOM 0 HE3 MET A 51 -1.210 -13.303 -1.269 1.00 1.00 H new ATOM 819 N TYR A 52 1.187 -8.692 -4.566 1.00 0.28 N ATOM 820 CA TYR A 52 2.239 -8.350 -5.501 1.00 0.32 C ATOM 821 C TYR A 52 3.515 -8.030 -4.722 1.00 0.30 C ATOM 822 O TYR A 52 3.515 -8.068 -3.490 1.00 0.30 O ATOM 823 CB TYR A 52 1.816 -7.173 -6.402 1.00 0.42 C ATOM 824 CG TYR A 52 1.264 -5.943 -5.695 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.852 -5.433 -4.545 1.00 0.49 C ATOM 826 CD2 TYR A 52 0.164 -5.268 -6.213 1.00 0.61 C ATOM 827 CE1 TYR A 52 1.360 -4.296 -3.931 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.338 -4.131 -5.600 1.00 0.72 C ATOM 829 CZ TYR A 52 0.266 -3.652 -4.458 1.00 0.71 C ATOM 830 OH TYR A 52 -0.217 -2.518 -3.840 1.00 0.85 O ATOM 0 H TYR A 52 1.125 -8.062 -3.766 1.00 0.28 H new ATOM 0 HA TYR A 52 2.430 -9.198 -6.158 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.679 -6.868 -6.993 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.061 -7.532 -7.101 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.710 -5.934 -4.122 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.309 -5.637 -7.111 1.00 0.61 H new ATOM 0 HE1 TYR A 52 1.834 -3.915 -3.039 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.197 -3.624 -6.015 1.00 0.72 H new ATOM 0 HH TYR A 52 -0.993 -2.181 -4.335 1.00 0.85 H new ATOM 840 N SER A 53 4.606 -7.753 -5.418 1.00 0.33 N ATOM 841 CA SER A 53 5.825 -7.335 -4.743 1.00 0.33 C ATOM 842 C SER A 53 6.132 -5.894 -5.090 1.00 0.37 C ATOM 843 O SER A 53 6.291 -5.557 -6.259 1.00 0.52 O ATOM 844 CB SER A 53 7.023 -8.226 -5.108 1.00 0.40 C ATOM 845 OG SER A 53 6.657 -9.591 -5.117 1.00 0.93 O ATOM 0 H SER A 53 4.674 -7.808 -6.434 1.00 0.33 H new ATOM 0 HA SER A 53 5.659 -7.433 -3.670 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.406 -7.942 -6.088 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.830 -8.067 -4.392 1.00 0.40 H new ATOM 0 HG SER A 53 7.260 -10.087 -5.709 1.00 0.93 H new ATOM 851 N THR A 54 6.172 -5.046 -4.080 1.00 0.31 N ATOM 852 CA THR A 54 6.589 -3.673 -4.262 1.00 0.33 C ATOM 853 C THR A 54 8.039 -3.569 -3.828 1.00 0.29 C ATOM 854 O THR A 54 8.350 -3.553 -2.638 1.00 0.27 O ATOM 855 CB THR A 54 5.709 -2.728 -3.423 1.00 0.37 C ATOM 856 OG1 THR A 54 4.375 -3.252 -3.369 1.00 0.43 O ATOM 857 CG2 THR A 54 5.662 -1.337 -4.038 1.00 0.43 C ATOM 0 H THR A 54 5.919 -5.287 -3.122 1.00 0.31 H new ATOM 0 HA THR A 54 6.484 -3.381 -5.307 1.00 0.33 H new ATOM 0 HB THR A 54 6.136 -2.657 -2.423 1.00 0.37 H new ATOM 0 HG1 THR A 54 4.109 -3.373 -2.434 1.00 0.43 H new ATOM 0 HG21 THR A 54 5.034 -0.690 -3.426 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.670 -0.926 -4.085 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.248 -1.398 -5.044 1.00 0.43 H new ATOM 865 N ILE A 55 8.928 -3.533 -4.799 1.00 0.30 N ATOM 866 CA ILE A 55 10.345 -3.526 -4.506 1.00 0.28 C ATOM 867 C ILE A 55 10.876 -2.104 -4.612 1.00 0.24 C ATOM 868 O ILE A 55 11.156 -1.620 -5.707 1.00 0.26 O ATOM 869 CB ILE A 55 11.138 -4.453 -5.462 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.388 -5.779 -5.729 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.526 -4.727 -4.894 1.00 0.32 C ATOM 872 CD1 ILE A 55 10.049 -6.589 -4.486 1.00 0.72 C ATOM 0 H ILE A 55 8.696 -3.508 -5.792 1.00 0.30 H new ATOM 0 HA ILE A 55 10.480 -3.904 -3.493 1.00 0.28 H new ATOM 0 HB ILE A 55 11.239 -3.939 -6.418 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.464 -5.555 -6.261 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.996 -6.396 -6.391 1.00 0.50 H new ATOM 0 HG21 ILE A 55 13.075 -5.379 -5.573 1.00 0.32 H new ATOM 0 HG22 ILE A 55 13.065 -3.786 -4.780 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.432 -5.212 -3.922 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.525 -7.499 -4.777 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.967 -6.851 -3.961 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.411 -5.997 -3.829 1.00 0.72 H new ATOM 884 N TYR A 56 10.981 -1.437 -3.472 1.00 0.25 N ATOM 885 CA TYR A 56 11.393 -0.037 -3.439 1.00 0.27 C ATOM 886 C TYR A 56 12.913 0.055 -3.538 1.00 0.30 C ATOM 887 O TYR A 56 13.624 -0.405 -2.647 1.00 0.36 O ATOM 888 CB TYR A 56 10.945 0.642 -2.140 1.00 0.32 C ATOM 889 CG TYR A 56 9.684 0.083 -1.503 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.442 0.139 -2.134 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.741 -0.468 -0.232 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.308 -0.343 -1.512 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.610 -0.957 0.389 1.00 1.01 C ATOM 894 CZ TYR A 56 7.397 -0.891 -0.254 1.00 0.79 C ATOM 895 OH TYR A 56 6.265 -1.370 0.363 1.00 1.02 O ATOM 0 H TYR A 56 10.787 -1.841 -2.556 1.00 0.25 H new ATOM 0 HA TYR A 56 10.925 0.469 -4.283 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.757 0.571 -1.416 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.789 1.702 -2.341 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.366 0.565 -3.123 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.690 -0.515 0.282 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.352 -0.290 -2.013 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.678 -1.390 1.376 1.00 1.01 H new ATOM 0 HH TYR A 56 6.499 -1.725 1.246 1.00 1.02 H new ATOM 905 N GLU A 57 13.411 0.623 -4.623 1.00 0.33 N ATOM 906 CA GLU A 57 14.850 0.791 -4.805 1.00 0.41 C ATOM 907 C GLU A 57 15.232 2.260 -4.626 1.00 0.36 C ATOM 908 O GLU A 57 14.499 3.146 -5.047 1.00 0.42 O ATOM 909 CB GLU A 57 15.256 0.324 -6.204 1.00 0.52 C ATOM 910 CG GLU A 57 16.751 0.124 -6.375 1.00 1.13 C ATOM 911 CD GLU A 57 17.241 -1.155 -5.730 1.00 1.56 C ATOM 912 OE1 GLU A 57 17.390 -1.191 -4.490 1.00 2.33 O ATOM 913 OE2 GLU A 57 17.491 -2.129 -6.466 1.00 1.84 O ATOM 0 H GLU A 57 12.844 0.977 -5.393 1.00 0.33 H new ATOM 0 HA GLU A 57 15.371 0.191 -4.059 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.746 -0.613 -6.426 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.911 1.055 -6.935 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.993 0.107 -7.438 1.00 1.13 H new ATOM 0 HG3 GLU A 57 17.280 0.972 -5.941 1.00 1.13 H new ATOM 920 N LEU A 58 16.374 2.521 -4.004 1.00 0.41 N ATOM 921 CA LEU A 58 16.826 3.896 -3.808 1.00 0.42 C ATOM 922 C LEU A 58 17.502 4.434 -5.065 1.00 0.43 C ATOM 923 O LEU A 58 18.312 3.747 -5.690 1.00 0.60 O ATOM 924 CB LEU A 58 17.796 3.998 -2.624 1.00 0.62 C ATOM 925 CG LEU A 58 17.252 4.721 -1.387 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.716 6.099 -1.769 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.177 3.885 -0.706 1.00 1.24 C ATOM 0 H LEU A 58 17.000 1.808 -3.629 1.00 0.41 H new ATOM 0 HA LEU A 58 15.943 4.498 -3.593 1.00 0.42 H new ATOM 0 HB2 LEU A 58 18.094 2.991 -2.333 1.00 0.62 H new ATOM 0 HB3 LEU A 58 18.697 4.513 -2.958 1.00 0.62 H new ATOM 0 HG LEU A 58 18.068 4.859 -0.678 1.00 0.58 H new ATOM 0 HD11 LEU A 58 16.333 6.600 -0.880 1.00 1.24 H new ATOM 0 HD12 LEU A 58 17.519 6.694 -2.203 1.00 1.24 H new ATOM 0 HD13 LEU A 58 15.912 5.988 -2.497 1.00 1.24 H new ATOM 0 HD21 LEU A 58 15.804 4.416 0.170 1.00 1.24 H new ATOM 0 HD22 LEU A 58 15.356 3.711 -1.402 1.00 1.24 H new ATOM 0 HD23 LEU A 58 16.600 2.929 -0.398 1.00 1.24 H new ATOM 939 N GLN A 59 17.160 5.665 -5.429 1.00 0.37 N ATOM 940 CA GLN A 59 17.786 6.331 -6.555 1.00 0.48 C ATOM 941 C GLN A 59 18.506 7.574 -6.037 1.00 0.57 C ATOM 942 O GLN A 59 18.413 7.900 -4.853 1.00 0.58 O ATOM 943 CB GLN A 59 16.725 6.714 -7.599 1.00 0.53 C ATOM 944 CG GLN A 59 17.294 7.150 -8.944 1.00 1.13 C ATOM 945 CD GLN A 59 16.215 7.558 -9.931 1.00 1.75 C ATOM 946 OE1 GLN A 59 15.706 6.734 -10.689 1.00 2.50 O ATOM 947 NE2 GLN A 59 15.863 8.834 -9.934 1.00 2.33 N ATOM 0 H GLN A 59 16.448 6.221 -4.955 1.00 0.37 H new ATOM 0 HA GLN A 59 18.503 5.665 -7.036 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.064 5.862 -7.757 1.00 0.53 H new ATOM 0 HB3 GLN A 59 16.113 7.522 -7.198 1.00 0.53 H new ATOM 0 HG2 GLN A 59 17.976 7.986 -8.792 1.00 1.13 H new ATOM 0 HG3 GLN A 59 17.879 6.334 -9.368 1.00 1.13 H new ATOM 0 HE21 GLN A 59 16.308 9.487 -9.290 1.00 2.33 H new ATOM 0 HE22 GLN A 59 15.146 9.164 -10.581 1.00 2.33 H new ATOM 956 N GLU A 60 19.221 8.235 -6.941 1.00 0.69 N ATOM 957 CA GLU A 60 20.173 9.301 -6.619 1.00 0.82 C ATOM 958 C GLU A 60 19.650 10.338 -5.634 1.00 0.75 C ATOM 959 O GLU A 60 20.436 10.936 -4.893 1.00 0.89 O ATOM 960 CB GLU A 60 20.597 9.988 -7.917 1.00 1.05 C ATOM 961 CG GLU A 60 19.423 10.570 -8.691 1.00 1.11 C ATOM 962 CD GLU A 60 19.801 11.031 -10.081 1.00 1.47 C ATOM 963 OE1 GLU A 60 20.623 11.961 -10.201 1.00 1.79 O ATOM 964 OE2 GLU A 60 19.264 10.476 -11.060 1.00 1.73 O ATOM 0 H GLU A 60 19.156 8.043 -7.941 1.00 0.69 H new ATOM 0 HA GLU A 60 21.018 8.826 -6.121 1.00 0.82 H new ATOM 0 HB2 GLU A 60 21.304 10.785 -7.686 1.00 1.05 H new ATOM 0 HB3 GLU A 60 21.121 9.270 -8.548 1.00 1.05 H new ATOM 0 HG2 GLU A 60 18.636 9.820 -8.765 1.00 1.11 H new ATOM 0 HG3 GLU A 60 19.010 11.412 -8.135 1.00 1.11 H new ATOM 971 N ASP A 61 18.346 10.549 -5.611 1.00 0.64 N ATOM 972 CA ASP A 61 17.772 11.554 -4.736 1.00 0.70 C ATOM 973 C ASP A 61 16.516 11.009 -4.084 1.00 0.54 C ATOM 974 O ASP A 61 15.445 11.612 -4.151 1.00 0.50 O ATOM 975 CB ASP A 61 17.480 12.848 -5.496 1.00 0.92 C ATOM 976 CG ASP A 61 17.151 13.996 -4.565 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.053 14.442 -3.826 1.00 1.41 O ATOM 978 OD2 ASP A 61 15.991 14.461 -4.563 1.00 1.26 O ATOM 0 H ASP A 61 17.670 10.043 -6.183 1.00 0.64 H new ATOM 0 HA ASP A 61 18.496 11.793 -3.957 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.344 13.113 -6.105 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.646 12.686 -6.179 1.00 0.92 H new ATOM 983 N ASN A 62 16.667 9.815 -3.507 1.00 0.52 N ATOM 984 CA ASN A 62 15.631 9.154 -2.685 1.00 0.46 C ATOM 985 C ASN A 62 14.256 9.084 -3.355 1.00 0.36 C ATOM 986 O ASN A 62 13.240 8.929 -2.677 1.00 0.41 O ATOM 987 CB ASN A 62 15.505 9.756 -1.268 1.00 0.57 C ATOM 988 CG ASN A 62 15.579 11.268 -1.210 1.00 0.70 C ATOM 989 OD1 ASN A 62 16.657 11.836 -1.020 1.00 1.36 O ATOM 990 ND2 ASN A 62 14.446 11.931 -1.376 1.00 1.35 N ATOM 0 H ASN A 62 17.522 9.266 -3.594 1.00 0.52 H new ATOM 0 HA ASN A 62 15.992 8.130 -2.586 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.557 9.436 -0.836 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.296 9.343 -0.642 1.00 0.57 H new ATOM 0 HD21 ASN A 62 14.443 12.951 -1.349 1.00 1.35 H new ATOM 0 HD22 ASN A 62 13.575 11.422 -1.531 1.00 1.35 H new ATOM 997 N SER A 63 14.218 9.204 -4.674 1.00 0.34 N ATOM 998 CA SER A 63 13.055 8.781 -5.427 1.00 0.30 C ATOM 999 C SER A 63 13.193 7.282 -5.602 1.00 0.29 C ATOM 1000 O SER A 63 14.240 6.801 -6.025 1.00 0.31 O ATOM 1001 CB SER A 63 12.980 9.496 -6.780 1.00 0.35 C ATOM 1002 OG SER A 63 14.161 9.296 -7.535 1.00 0.96 O ATOM 0 H SER A 63 14.976 9.589 -5.238 1.00 0.34 H new ATOM 0 HA SER A 63 12.132 9.033 -4.904 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.121 9.128 -7.341 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.824 10.563 -6.621 1.00 0.35 H new ATOM 0 HG SER A 63 14.153 9.886 -8.317 1.00 0.96 H new ATOM 1008 N TYR A 64 12.188 6.531 -5.231 1.00 0.28 N ATOM 1009 CA TYR A 64 12.336 5.096 -5.213 1.00 0.28 C ATOM 1010 C TYR A 64 11.936 4.506 -6.547 1.00 0.29 C ATOM 1011 O TYR A 64 10.886 4.843 -7.098 1.00 0.30 O ATOM 1012 CB TYR A 64 11.480 4.476 -4.102 1.00 0.28 C ATOM 1013 CG TYR A 64 11.707 5.083 -2.734 1.00 0.31 C ATOM 1014 CD1 TYR A 64 12.977 5.448 -2.314 1.00 0.31 C ATOM 1015 CD2 TYR A 64 10.645 5.289 -1.863 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.185 6.005 -1.067 1.00 0.36 C ATOM 1017 CE2 TYR A 64 10.844 5.844 -0.615 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.116 6.201 -0.221 1.00 0.42 C ATOM 1019 OH TYR A 64 12.320 6.763 1.018 1.00 0.49 O ATOM 0 H TYR A 64 11.274 6.879 -4.942 1.00 0.28 H new ATOM 0 HA TYR A 64 13.385 4.869 -5.020 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.428 4.585 -4.366 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.687 3.407 -4.052 1.00 0.28 H new ATOM 0 HD1 TYR A 64 13.818 5.294 -2.973 1.00 0.31 H new ATOM 0 HD2 TYR A 64 9.647 5.010 -2.167 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.181 6.285 -0.757 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.007 5.998 0.050 1.00 0.45 H new ATOM 0 HH TYR A 64 11.456 6.922 1.452 1.00 0.49 H new ATOM 1029 N ASN A 65 12.779 3.625 -7.059 1.00 0.32 N ATOM 1030 CA ASN A 65 12.419 2.825 -8.208 1.00 0.36 C ATOM 1031 C ASN A 65 11.677 1.628 -7.683 1.00 0.32 C ATOM 1032 O ASN A 65 12.280 0.663 -7.221 1.00 0.37 O ATOM 1033 CB ASN A 65 13.648 2.355 -8.991 1.00 0.48 C ATOM 1034 CG ASN A 65 14.545 3.489 -9.464 1.00 1.24 C ATOM 1035 OD1 ASN A 65 15.760 3.321 -9.573 1.00 2.02 O ATOM 1036 ND2 ASN A 65 13.964 4.646 -9.751 1.00 1.96 N ATOM 0 H ASN A 65 13.715 3.449 -6.695 1.00 0.32 H new ATOM 0 HA ASN A 65 11.815 3.420 -8.893 1.00 0.36 H new ATOM 0 HB2 ASN A 65 14.231 1.681 -8.364 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.318 1.780 -9.856 1.00 0.48 H new ATOM 0 HD21 ASN A 65 14.527 5.433 -10.074 1.00 1.96 H new ATOM 0 HD22 ASN A 65 12.954 4.749 -9.649 1.00 1.96 H new ATOM 1043 N VAL A 66 10.378 1.692 -7.736 1.00 0.31 N ATOM 1044 CA VAL A 66 9.568 0.681 -7.117 1.00 0.29 C ATOM 1045 C VAL A 66 9.101 -0.326 -8.136 1.00 0.31 C ATOM 1046 O VAL A 66 8.311 -0.024 -9.030 1.00 0.37 O ATOM 1047 CB VAL A 66 8.399 1.313 -6.349 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.212 0.364 -6.238 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.892 1.717 -4.970 1.00 0.65 C ATOM 0 H VAL A 66 9.856 2.434 -8.202 1.00 0.31 H new ATOM 0 HA VAL A 66 10.176 0.144 -6.389 1.00 0.29 H new ATOM 0 HB VAL A 66 8.049 2.189 -6.896 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.407 0.851 -5.687 1.00 0.67 H new ATOM 0 HG12 VAL A 66 6.862 0.101 -7.236 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.517 -0.540 -5.711 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.074 2.169 -4.409 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.252 0.835 -4.440 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.704 2.437 -5.070 1.00 0.65 H new ATOM 1059 N THR A 67 9.621 -1.522 -7.990 1.00 0.34 N ATOM 1060 CA THR A 67 9.342 -2.584 -8.916 1.00 0.39 C ATOM 1061 C THR A 67 8.119 -3.343 -8.437 1.00 0.47 C ATOM 1062 O THR A 67 8.222 -4.199 -7.563 1.00 0.71 O ATOM 1063 CB THR A 67 10.540 -3.549 -9.016 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.749 -2.798 -9.191 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.372 -4.513 -10.182 1.00 0.74 C ATOM 0 H THR A 67 10.247 -1.782 -7.227 1.00 0.34 H new ATOM 0 HA THR A 67 9.160 -2.158 -9.903 1.00 0.39 H new ATOM 0 HB THR A 67 10.590 -4.128 -8.094 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.510 -3.413 -9.253 1.00 0.58 H new ATOM 0 HG21 THR A 67 11.232 -5.182 -10.228 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.464 -5.099 -10.042 1.00 0.74 H new ATOM 0 HG23 THR A 67 10.300 -3.950 -11.112 1.00 0.74 H new ATOM 1073 N SER A 68 6.965 -2.998 -8.973 1.00 0.44 N ATOM 1074 CA SER A 68 5.732 -3.645 -8.577 1.00 0.52 C ATOM 1075 C SER A 68 5.363 -4.711 -9.593 1.00 0.53 C ATOM 1076 O SER A 68 4.984 -4.402 -10.714 1.00 0.65 O ATOM 1077 CB SER A 68 4.610 -2.610 -8.446 1.00 0.60 C ATOM 1078 OG SER A 68 3.418 -3.198 -7.951 1.00 1.14 O ATOM 0 H SER A 68 6.856 -2.274 -9.683 1.00 0.44 H new ATOM 0 HA SER A 68 5.872 -4.121 -7.606 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.927 -1.810 -7.777 1.00 0.60 H new ATOM 0 HB3 SER A 68 4.417 -2.156 -9.418 1.00 0.60 H new ATOM 0 HG SER A 68 2.721 -2.513 -7.877 1.00 1.14 H new ATOM 1084 N ILE A 69 5.504 -5.965 -9.211 1.00 0.53 N ATOM 1085 CA ILE A 69 5.166 -7.060 -10.106 1.00 0.53 C ATOM 1086 C ILE A 69 3.696 -7.413 -9.986 1.00 0.60 C ATOM 1087 O ILE A 69 3.196 -7.710 -8.906 1.00 0.74 O ATOM 1088 CB ILE A 69 6.035 -8.310 -9.845 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.554 -9.477 -10.718 1.00 0.66 C ATOM 1090 CG2 ILE A 69 6.000 -8.678 -8.365 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.630 -10.486 -11.056 1.00 0.78 C ATOM 0 H ILE A 69 5.847 -6.252 -8.295 1.00 0.53 H new ATOM 0 HA ILE A 69 5.371 -6.720 -11.121 1.00 0.53 H new ATOM 0 HB ILE A 69 7.068 -8.089 -10.112 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.741 -9.989 -10.204 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.143 -9.077 -11.645 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.617 -9.561 -8.195 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.385 -7.847 -7.774 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.973 -8.890 -8.067 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.206 -11.277 -11.675 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.435 -9.991 -11.600 1.00 0.78 H new ATOM 0 HD13 ILE A 69 7.026 -10.918 -10.137 1.00 0.78 H new ATOM 1103 N LEU A 70 3.020 -7.371 -11.111 1.00 0.56 N ATOM 1104 CA LEU A 70 1.598 -7.621 -11.163 1.00 0.64 C ATOM 1105 C LEU A 70 1.268 -8.339 -12.449 1.00 0.64 C ATOM 1106 O LEU A 70 2.040 -8.304 -13.407 1.00 0.67 O ATOM 1107 CB LEU A 70 0.806 -6.302 -11.043 1.00 0.74 C ATOM 1108 CG LEU A 70 1.004 -5.258 -12.162 1.00 0.66 C ATOM 1109 CD1 LEU A 70 0.036 -4.103 -11.987 1.00 0.96 C ATOM 1110 CD2 LEU A 70 2.420 -4.703 -12.190 1.00 1.18 C ATOM 0 H LEU A 70 3.441 -7.162 -12.016 1.00 0.56 H new ATOM 0 HA LEU A 70 1.310 -8.251 -10.321 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.255 -6.548 -10.994 1.00 0.74 H new ATOM 0 HB3 LEU A 70 1.069 -5.835 -10.094 1.00 0.74 H new ATOM 0 HG LEU A 70 0.815 -5.773 -13.104 1.00 0.66 H new ATOM 0 HD11 LEU A 70 0.189 -3.376 -12.784 1.00 0.96 H new ATOM 0 HD12 LEU A 70 -0.987 -4.476 -12.028 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.210 -3.626 -11.023 1.00 0.96 H new ATOM 0 HD21 LEU A 70 2.509 -3.973 -12.994 1.00 1.18 H new ATOM 0 HD22 LEU A 70 2.641 -4.222 -11.237 1.00 1.18 H new ATOM 0 HD23 LEU A 70 3.126 -5.516 -12.359 1.00 1.18 H new ATOM 1122 N VAL A 71 0.139 -9.012 -12.455 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.237 -9.818 -13.589 1.00 0.74 C ATOM 1124 C VAL A 71 -0.741 -8.944 -14.724 1.00 0.83 C ATOM 1125 O VAL A 71 -1.682 -8.164 -14.570 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.281 -10.877 -13.212 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -1.463 -11.850 -14.361 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.863 -11.604 -11.940 1.00 0.84 C ATOM 0 H VAL A 71 -0.532 -9.016 -11.687 1.00 0.70 H new ATOM 0 HA VAL A 71 0.655 -10.345 -13.927 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.235 -10.387 -13.019 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -2.205 -12.600 -14.088 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.801 -11.310 -15.245 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -0.514 -12.341 -14.576 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.614 -12.352 -11.685 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.098 -12.093 -12.100 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.774 -10.887 -11.124 1.00 0.84 H new ATOM 1138 N ARG A 72 -0.073 -9.075 -15.853 1.00 0.83 N ATOM 1139 CA ARG A 72 -0.308 -8.250 -17.021 1.00 0.95 C ATOM 1140 C ARG A 72 -0.756 -9.136 -18.176 1.00 1.12 C ATOM 1141 O ARG A 72 -0.835 -10.356 -18.014 1.00 1.43 O ATOM 1142 CB ARG A 72 0.972 -7.492 -17.401 1.00 1.03 C ATOM 1143 CG ARG A 72 1.711 -6.870 -16.218 1.00 1.02 C ATOM 1144 CD ARG A 72 1.063 -5.586 -15.712 1.00 1.01 C ATOM 1145 NE ARG A 72 -0.327 -5.773 -15.286 1.00 1.53 N ATOM 1146 CZ ARG A 72 -1.229 -4.792 -15.236 1.00 2.19 C ATOM 1147 NH1 ARG A 72 -0.925 -3.581 -15.688 1.00 2.48 N ATOM 1148 NH2 ARG A 72 -2.449 -5.028 -14.764 1.00 2.99 N ATOM 0 H ARG A 72 0.661 -9.770 -15.987 1.00 0.83 H new ATOM 0 HA ARG A 72 -1.087 -7.520 -16.799 1.00 0.95 H new ATOM 0 HB2 ARG A 72 1.646 -8.177 -17.916 1.00 1.03 H new ATOM 0 HB3 ARG A 72 0.716 -6.704 -18.109 1.00 1.03 H new ATOM 0 HG2 ARG A 72 1.753 -7.593 -15.404 1.00 1.02 H new ATOM 0 HG3 ARG A 72 2.740 -6.659 -16.511 1.00 1.02 H new ATOM 0 HD2 ARG A 72 1.644 -5.198 -14.875 1.00 1.01 H new ATOM 0 HD3 ARG A 72 1.097 -4.834 -16.500 1.00 1.01 H new ATOM 0 HE ARG A 72 -0.622 -6.710 -15.011 1.00 1.53 H new ATOM 0 HH11 ARG A 72 0.001 -3.399 -16.075 1.00 2.48 H new ATOM 0 HH12 ARG A 72 -1.617 -2.833 -15.648 1.00 2.48 H new ATOM 0 HH21 ARG A 72 -2.698 -5.962 -14.438 1.00 2.99 H new ATOM 0 HH22 ARG A 72 -3.136 -4.275 -14.727 1.00 2.99 H new ATOM 1162 N GLY A 73 -1.071 -8.537 -19.316 1.00 1.41 N ATOM 1163 CA GLY A 73 -1.516 -9.307 -20.473 1.00 1.65 C ATOM 1164 C GLY A 73 -0.619 -10.498 -20.804 1.00 1.69 C ATOM 1165 O GLY A 73 -1.092 -11.516 -21.312 1.00 2.28 O ATOM 0 H GLY A 73 -1.028 -7.529 -19.466 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -2.529 -9.667 -20.290 1.00 1.65 H new ATOM 0 HA3 GLY A 73 -1.563 -8.648 -21.340 1.00 1.65 H new ATOM 1169 N GLN A 74 0.672 -10.383 -20.512 1.00 1.63 N ATOM 1170 CA GLN A 74 1.620 -11.456 -20.794 1.00 1.87 C ATOM 1171 C GLN A 74 2.091 -12.154 -19.523 1.00 1.45 C ATOM 1172 O GLN A 74 3.286 -12.396 -19.339 1.00 1.77 O ATOM 1173 CB GLN A 74 2.820 -10.918 -21.572 1.00 2.56 C ATOM 1174 CG GLN A 74 2.599 -10.895 -23.071 1.00 3.31 C ATOM 1175 CD GLN A 74 2.309 -12.278 -23.622 1.00 4.11 C ATOM 1176 OE1 GLN A 74 1.154 -12.698 -23.704 1.00 4.39 O ATOM 1177 NE2 GLN A 74 3.357 -13.002 -23.980 1.00 4.91 N ATOM 0 H GLN A 74 1.087 -9.557 -20.080 1.00 1.63 H new ATOM 0 HA GLN A 74 1.098 -12.195 -21.402 1.00 1.87 H new ATOM 0 HB2 GLN A 74 3.044 -9.908 -21.229 1.00 2.56 H new ATOM 0 HB3 GLN A 74 3.693 -11.531 -21.350 1.00 2.56 H new ATOM 0 HG2 GLN A 74 1.768 -10.230 -23.305 1.00 3.31 H new ATOM 0 HG3 GLN A 74 3.482 -10.487 -23.562 1.00 3.31 H new ATOM 0 HE21 GLN A 74 4.297 -12.615 -23.896 1.00 4.91 H new ATOM 0 HE22 GLN A 74 3.225 -13.947 -24.340 1.00 4.91 H new ATOM 1186 N GLY A 75 1.154 -12.473 -18.646 1.00 0.97 N ATOM 1187 CA GLY A 75 1.487 -13.230 -17.457 1.00 0.88 C ATOM 1188 C GLY A 75 1.796 -12.324 -16.297 1.00 0.81 C ATOM 1189 O GLY A 75 1.011 -11.454 -15.963 1.00 0.81 O ATOM 0 H GLY A 75 0.169 -12.222 -18.735 1.00 0.97 H new ATOM 0 HA2 GLY A 75 0.656 -13.886 -17.197 1.00 0.88 H new ATOM 0 HA3 GLY A 75 2.346 -13.869 -17.660 1.00 0.88 H new ATOM 1193 N CYS A 76 2.955 -12.489 -15.714 1.00 0.79 N ATOM 1194 CA CYS A 76 3.359 -11.640 -14.609 1.00 0.73 C ATOM 1195 C CYS A 76 4.500 -10.749 -15.070 1.00 0.75 C ATOM 1196 O CYS A 76 5.402 -11.206 -15.772 1.00 0.92 O ATOM 1197 CB CYS A 76 3.817 -12.487 -13.424 1.00 0.78 C ATOM 1198 SG CYS A 76 4.989 -13.808 -13.872 1.00 1.26 S ATOM 0 H CYS A 76 3.638 -13.199 -15.980 1.00 0.79 H new ATOM 0 HA CYS A 76 2.511 -11.033 -14.292 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.283 -11.837 -12.683 1.00 0.78 H new ATOM 0 HB3 CYS A 76 2.943 -12.935 -12.950 1.00 0.78 H new ATOM 1203 N ARG A 77 4.456 -9.478 -14.717 1.00 0.65 N ATOM 1204 CA ARG A 77 5.470 -8.546 -15.176 1.00 0.67 C ATOM 1205 C ARG A 77 5.742 -7.484 -14.125 1.00 0.57 C ATOM 1206 O ARG A 77 4.834 -7.065 -13.401 1.00 0.56 O ATOM 1207 CB ARG A 77 5.016 -7.895 -16.483 1.00 0.79 C ATOM 1208 CG ARG A 77 6.073 -7.037 -17.150 1.00 1.22 C ATOM 1209 CD ARG A 77 5.600 -6.537 -18.500 1.00 1.46 C ATOM 1210 NE ARG A 77 6.611 -5.728 -19.173 1.00 2.14 N ATOM 1211 CZ ARG A 77 6.746 -5.662 -20.496 1.00 2.81 C ATOM 1212 NH1 ARG A 77 5.979 -6.410 -21.281 1.00 3.04 N ATOM 1213 NH2 ARG A 77 7.665 -4.873 -21.033 1.00 3.68 N ATOM 0 H ARG A 77 3.737 -9.070 -14.120 1.00 0.65 H new ATOM 0 HA ARG A 77 6.396 -9.094 -15.350 1.00 0.67 H new ATOM 0 HB2 ARG A 77 4.707 -8.677 -17.177 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.138 -7.281 -16.284 1.00 0.79 H new ATOM 0 HG2 ARG A 77 6.315 -6.189 -16.509 1.00 1.22 H new ATOM 0 HG3 ARG A 77 6.989 -7.614 -17.274 1.00 1.22 H new ATOM 0 HD2 ARG A 77 5.339 -7.388 -19.130 1.00 1.46 H new ATOM 0 HD3 ARG A 77 4.693 -5.947 -18.370 1.00 1.46 H new ATOM 0 HE ARG A 77 7.251 -5.182 -18.597 1.00 2.14 H new ATOM 0 HH11 ARG A 77 5.286 -7.036 -20.870 1.00 3.04 H new ATOM 0 HH12 ARG A 77 6.083 -6.359 -22.294 1.00 3.04 H new ATOM 0 HH21 ARG A 77 8.271 -4.314 -20.433 1.00 3.68 H new ATOM 0 HH22 ARG A 77 7.766 -4.824 -22.047 1.00 3.68 H new ATOM 1227 N TYR A 78 6.992 -7.063 -14.038 1.00 0.56 N ATOM 1228 CA TYR A 78 7.378 -6.020 -13.110 1.00 0.48 C ATOM 1229 C TYR A 78 7.052 -4.659 -13.707 1.00 0.47 C ATOM 1230 O TYR A 78 7.636 -4.260 -14.714 1.00 0.53 O ATOM 1231 CB TYR A 78 8.876 -6.095 -12.787 1.00 0.47 C ATOM 1232 CG TYR A 78 9.336 -7.422 -12.213 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.957 -7.837 -10.938 1.00 0.47 C ATOM 1234 CD2 TYR A 78 10.161 -8.261 -12.953 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.390 -9.047 -10.424 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.593 -9.470 -12.445 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.206 -9.858 -11.181 1.00 0.70 C ATOM 1238 OH TYR A 78 10.648 -11.056 -10.670 1.00 0.80 O ATOM 0 H TYR A 78 7.758 -7.431 -14.602 1.00 0.56 H new ATOM 0 HA TYR A 78 6.820 -6.161 -12.184 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.440 -5.893 -13.697 1.00 0.47 H new ATOM 0 HB3 TYR A 78 9.121 -5.304 -12.078 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.316 -7.205 -10.342 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.470 -7.962 -13.944 1.00 0.70 H new ATOM 0 HE1 TYR A 78 9.089 -9.354 -9.433 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.232 -10.109 -13.036 1.00 0.79 H new ATOM 0 HH TYR A 78 11.213 -11.506 -11.333 1.00 0.80 H new ATOM 1248 N TRP A 79 6.097 -3.971 -13.113 1.00 0.47 N ATOM 1249 CA TRP A 79 5.802 -2.606 -13.492 1.00 0.51 C ATOM 1250 C TRP A 79 6.458 -1.663 -12.489 1.00 0.46 C ATOM 1251 O TRP A 79 6.034 -1.560 -11.336 1.00 0.45 O ATOM 1252 CB TRP A 79 4.280 -2.381 -13.592 1.00 0.61 C ATOM 1253 CG TRP A 79 3.890 -0.932 -13.655 1.00 0.72 C ATOM 1254 CD1 TRP A 79 3.306 -0.192 -12.666 1.00 1.33 C ATOM 1255 CD2 TRP A 79 4.067 -0.046 -14.766 1.00 1.44 C ATOM 1256 NE1 TRP A 79 3.108 1.098 -13.097 1.00 1.23 N ATOM 1257 CE2 TRP A 79 3.566 1.212 -14.381 1.00 1.32 C ATOM 1258 CE3 TRP A 79 4.601 -0.194 -16.051 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 3.583 2.313 -15.235 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 4.616 0.901 -16.895 1.00 3.53 C ATOM 1261 CH2 TRP A 79 4.112 2.140 -16.483 1.00 3.20 C ATOM 0 H TRP A 79 5.511 -4.338 -12.363 1.00 0.47 H new ATOM 0 HA TRP A 79 6.211 -2.399 -14.481 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.903 -2.889 -14.480 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.796 -2.842 -12.731 1.00 0.61 H new ATOM 0 HD1 TRP A 79 3.039 -0.566 -11.689 1.00 1.33 H new ATOM 0 HE1 TRP A 79 2.688 1.848 -12.549 1.00 1.23 H new ATOM 0 HE3 TRP A 79 4.994 -1.146 -16.377 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 3.192 3.270 -14.921 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 5.024 0.798 -17.890 1.00 3.53 H new ATOM 0 HH2 TRP A 79 4.142 2.977 -17.165 1.00 3.20 H new ATOM 1272 N ILE A 80 7.522 -1.005 -12.925 1.00 0.46 N ATOM 1273 CA ILE A 80 8.339 -0.205 -12.029 1.00 0.42 C ATOM 1274 C ILE A 80 7.966 1.272 -12.128 1.00 0.42 C ATOM 1275 O ILE A 80 8.007 1.864 -13.210 1.00 0.49 O ATOM 1276 CB ILE A 80 9.856 -0.386 -12.317 1.00 0.43 C ATOM 1277 CG1 ILE A 80 10.266 -1.867 -12.264 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.695 0.413 -11.329 1.00 0.40 C ATOM 1279 CD1 ILE A 80 10.048 -2.621 -13.558 1.00 0.55 C ATOM 0 H ILE A 80 7.839 -1.010 -13.895 1.00 0.46 H new ATOM 0 HA ILE A 80 8.142 -0.556 -11.016 1.00 0.42 H new ATOM 0 HB ILE A 80 10.039 -0.013 -13.324 1.00 0.43 H new ATOM 0 HG12 ILE A 80 11.320 -1.931 -11.993 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.703 -2.359 -11.471 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.753 0.270 -11.551 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.446 1.471 -11.413 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.488 0.071 -10.315 1.00 0.40 H new ATOM 0 HD11 ILE A 80 10.363 -3.657 -13.433 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.991 -2.593 -13.822 1.00 0.55 H new ATOM 0 HD13 ILE A 80 10.633 -2.157 -14.352 1.00 0.55 H new ATOM 1291 N ARG A 81 7.604 1.855 -10.993 1.00 0.41 N ATOM 1292 CA ARG A 81 7.208 3.259 -10.923 1.00 0.44 C ATOM 1293 C ARG A 81 8.069 3.973 -9.874 1.00 0.35 C ATOM 1294 O ARG A 81 9.030 3.395 -9.370 1.00 0.42 O ATOM 1295 CB ARG A 81 5.713 3.357 -10.591 1.00 0.57 C ATOM 1296 CG ARG A 81 5.073 4.709 -10.902 1.00 1.21 C ATOM 1297 CD ARG A 81 5.230 5.108 -12.368 1.00 1.97 C ATOM 1298 NE ARG A 81 6.508 5.779 -12.631 1.00 2.78 N ATOM 1299 CZ ARG A 81 6.627 7.087 -12.874 1.00 3.79 C ATOM 1300 NH1 ARG A 81 5.545 7.844 -12.992 1.00 4.16 N ATOM 1301 NH2 ARG A 81 7.824 7.633 -13.050 1.00 4.76 N ATOM 0 H ARG A 81 7.576 1.371 -10.096 1.00 0.41 H new ATOM 0 HA ARG A 81 7.368 3.746 -11.885 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.181 2.583 -11.145 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.576 3.142 -9.531 1.00 0.57 H new ATOM 0 HG2 ARG A 81 4.013 4.672 -10.651 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.524 5.474 -10.270 1.00 1.21 H new ATOM 0 HD2 ARG A 81 5.154 4.219 -12.994 1.00 1.97 H new ATOM 0 HD3 ARG A 81 4.411 5.769 -12.652 1.00 1.97 H new ATOM 0 HE ARG A 81 7.356 5.213 -12.628 1.00 2.78 H new ATOM 0 HH11 ARG A 81 4.619 7.428 -12.897 1.00 4.16 H new ATOM 0 HH12 ARG A 81 5.639 8.843 -13.178 1.00 4.16 H new ATOM 0 HH21 ARG A 81 8.661 7.053 -13.000 1.00 4.76 H new ATOM 0 HH22 ARG A 81 7.906 8.633 -13.235 1.00 4.76 H new ATOM 1315 N THR A 82 7.746 5.218 -9.541 1.00 0.41 N ATOM 1316 CA THR A 82 8.581 5.990 -8.630 1.00 0.35 C ATOM 1317 C THR A 82 7.811 6.350 -7.364 1.00 0.32 C ATOM 1318 O THR A 82 6.638 6.691 -7.432 1.00 0.36 O ATOM 1319 CB THR A 82 9.095 7.277 -9.319 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.684 6.936 -10.582 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.127 8.013 -8.462 1.00 0.36 C ATOM 0 H THR A 82 6.921 5.710 -9.884 1.00 0.41 H new ATOM 0 HA THR A 82 9.436 5.373 -8.355 1.00 0.35 H new ATOM 0 HB THR A 82 8.243 7.942 -9.460 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.009 7.749 -11.022 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.460 8.910 -8.984 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.676 8.294 -7.510 1.00 0.36 H new ATOM 0 HG23 THR A 82 10.981 7.360 -8.280 1.00 0.36 H new ATOM 1329 N PHE A 83 8.471 6.240 -6.220 1.00 0.27 N ATOM 1330 CA PHE A 83 7.915 6.699 -4.945 1.00 0.26 C ATOM 1331 C PHE A 83 8.854 7.724 -4.323 1.00 0.26 C ATOM 1332 O PHE A 83 10.045 7.487 -4.208 1.00 0.36 O ATOM 1333 CB PHE A 83 7.704 5.520 -3.979 1.00 0.26 C ATOM 1334 CG PHE A 83 6.418 4.759 -4.181 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.195 5.408 -4.216 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.439 3.386 -4.326 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.021 4.693 -4.395 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.281 2.661 -4.503 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.064 3.316 -4.538 1.00 0.42 C ATOM 0 H PHE A 83 9.403 5.833 -6.144 1.00 0.27 H new ATOM 0 HA PHE A 83 6.944 7.158 -5.132 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.540 4.828 -4.085 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.730 5.897 -2.957 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.156 6.481 -4.103 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.386 2.868 -4.300 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.073 5.210 -4.423 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.324 1.588 -4.614 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.151 2.756 -4.676 1.00 0.42 H new ATOM 1349 N VAL A 84 8.316 8.857 -3.926 1.00 0.24 N ATOM 1350 CA VAL A 84 9.131 9.970 -3.459 1.00 0.24 C ATOM 1351 C VAL A 84 8.569 10.544 -2.157 1.00 0.24 C ATOM 1352 O VAL A 84 7.354 10.661 -1.989 1.00 0.27 O ATOM 1353 CB VAL A 84 9.210 11.090 -4.526 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.042 10.658 -5.728 1.00 0.30 C ATOM 1355 CG2 VAL A 84 7.819 11.488 -4.976 1.00 0.29 C ATOM 0 H VAL A 84 7.312 9.037 -3.916 1.00 0.24 H new ATOM 0 HA VAL A 84 10.135 9.587 -3.277 1.00 0.24 H new ATOM 0 HB VAL A 84 9.699 11.950 -4.068 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.076 11.468 -6.457 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.055 10.419 -5.403 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.591 9.777 -6.185 1.00 0.30 H new ATOM 0 HG21 VAL A 84 7.891 12.276 -5.726 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.314 10.623 -5.406 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.250 11.852 -4.120 1.00 0.29 H new ATOM 1365 N PRO A 85 9.451 10.889 -1.210 1.00 0.35 N ATOM 1366 CA PRO A 85 9.054 11.461 0.082 1.00 0.34 C ATOM 1367 C PRO A 85 8.292 12.776 -0.077 1.00 0.38 C ATOM 1368 O PRO A 85 8.666 13.631 -0.882 1.00 0.52 O ATOM 1369 CB PRO A 85 10.390 11.705 0.796 1.00 0.49 C ATOM 1370 CG PRO A 85 11.357 10.805 0.113 1.00 0.78 C ATOM 1371 CD PRO A 85 10.911 10.745 -1.318 1.00 0.56 C ATOM 0 HA PRO A 85 8.380 10.800 0.627 1.00 0.34 H new ATOM 0 HB2 PRO A 85 10.696 12.748 0.716 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.318 11.474 1.859 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.374 11.191 0.191 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.357 9.813 0.566 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.353 11.544 -1.913 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.191 9.803 -1.790 1.00 0.56 H new ATOM 1379 N SER A 86 7.219 12.920 0.692 1.00 0.34 N ATOM 1380 CA SER A 86 6.396 14.123 0.666 1.00 0.46 C ATOM 1381 C SER A 86 7.068 15.245 1.471 1.00 0.58 C ATOM 1382 O SER A 86 8.290 15.385 1.459 1.00 0.93 O ATOM 1383 CB SER A 86 5.021 13.802 1.254 1.00 0.53 C ATOM 1384 OG SER A 86 4.094 14.860 1.056 1.00 1.27 O ATOM 0 H SER A 86 6.896 12.209 1.348 1.00 0.34 H new ATOM 0 HA SER A 86 6.281 14.461 -0.364 1.00 0.46 H new ATOM 0 HB2 SER A 86 4.635 12.892 0.795 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.121 13.603 2.321 1.00 0.53 H new ATOM 0 HG SER A 86 3.194 14.556 1.298 1.00 1.27 H new ATOM 1390 N SER A 87 6.263 16.027 2.184 1.00 0.75 N ATOM 1391 CA SER A 87 6.762 17.123 3.003 1.00 0.90 C ATOM 1392 C SER A 87 7.722 16.619 4.083 1.00 0.79 C ATOM 1393 O SER A 87 8.563 17.368 4.584 1.00 0.89 O ATOM 1394 CB SER A 87 5.581 17.866 3.634 1.00 1.12 C ATOM 1395 OG SER A 87 6.011 18.898 4.501 1.00 1.70 O ATOM 0 H SER A 87 5.249 15.918 2.209 1.00 0.75 H new ATOM 0 HA SER A 87 7.321 17.808 2.365 1.00 0.90 H new ATOM 0 HB2 SER A 87 4.956 18.289 2.848 1.00 1.12 H new ATOM 0 HB3 SER A 87 4.962 17.160 4.188 1.00 1.12 H new ATOM 0 HG SER A 87 5.230 19.350 4.883 1.00 1.70 H new ATOM 1401 N ARG A 88 7.605 15.344 4.426 1.00 0.64 N ATOM 1402 CA ARG A 88 8.477 14.737 5.425 1.00 0.58 C ATOM 1403 C ARG A 88 8.511 13.223 5.248 1.00 0.49 C ATOM 1404 O ARG A 88 7.507 12.614 4.864 1.00 0.46 O ATOM 1405 CB ARG A 88 8.040 15.101 6.855 1.00 0.66 C ATOM 1406 CG ARG A 88 6.591 14.776 7.183 1.00 0.75 C ATOM 1407 CD ARG A 88 5.695 15.999 7.045 1.00 1.11 C ATOM 1408 NE ARG A 88 4.334 15.733 7.514 1.00 1.51 N ATOM 1409 CZ ARG A 88 3.264 16.442 7.161 1.00 1.84 C ATOM 1410 NH1 ARG A 88 3.388 17.488 6.355 1.00 1.95 N ATOM 1411 NH2 ARG A 88 2.072 16.104 7.634 1.00 2.59 N ATOM 0 H ARG A 88 6.914 14.708 4.027 1.00 0.64 H new ATOM 0 HA ARG A 88 9.481 15.134 5.275 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.684 14.576 7.561 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.202 16.168 7.008 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.236 13.988 6.519 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.526 14.390 8.200 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.120 16.826 7.613 1.00 1.11 H new ATOM 0 HD3 ARG A 88 5.665 16.311 6.001 1.00 1.11 H new ATOM 0 HE ARG A 88 4.196 14.951 8.155 1.00 1.51 H new ATOM 0 HH11 ARG A 88 4.307 17.753 6.002 1.00 1.95 H new ATOM 0 HH12 ARG A 88 2.564 18.027 6.088 1.00 1.95 H new ATOM 0 HH21 ARG A 88 1.980 15.306 8.263 1.00 2.59 H new ATOM 0 HH22 ARG A 88 1.247 16.642 7.369 1.00 2.59 H new ATOM 1425 N PRO A 89 9.684 12.607 5.501 1.00 0.49 N ATOM 1426 CA PRO A 89 9.877 11.156 5.390 1.00 0.48 C ATOM 1427 C PRO A 89 8.836 10.373 6.178 1.00 0.48 C ATOM 1428 O PRO A 89 8.458 10.760 7.284 1.00 0.62 O ATOM 1429 CB PRO A 89 11.274 10.937 5.977 1.00 0.58 C ATOM 1430 CG PRO A 89 11.976 12.228 5.745 1.00 0.70 C ATOM 1431 CD PRO A 89 10.926 13.290 5.912 1.00 0.56 C ATOM 0 HA PRO A 89 9.775 10.808 4.362 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.226 10.695 7.039 1.00 0.58 H new ATOM 0 HB3 PRO A 89 11.787 10.111 5.485 1.00 0.58 H new ATOM 0 HG2 PRO A 89 12.790 12.366 6.456 1.00 0.70 H new ATOM 0 HG3 PRO A 89 12.415 12.263 4.748 1.00 0.70 H new ATOM 0 HD2 PRO A 89 10.870 13.642 6.942 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.132 14.160 5.289 1.00 0.56 H new ATOM 1439 N GLY A 90 8.379 9.276 5.598 1.00 0.41 N ATOM 1440 CA GLY A 90 7.316 8.503 6.197 1.00 0.42 C ATOM 1441 C GLY A 90 6.022 8.713 5.446 1.00 0.38 C ATOM 1442 O GLY A 90 5.286 7.769 5.181 1.00 0.43 O ATOM 0 H GLY A 90 8.730 8.905 4.715 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.579 7.445 6.191 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.190 8.794 7.240 1.00 0.42 H new ATOM 1446 N GLN A 91 5.767 9.965 5.102 1.00 0.33 N ATOM 1447 CA GLN A 91 4.655 10.326 4.237 1.00 0.31 C ATOM 1448 C GLN A 91 5.139 10.252 2.798 1.00 0.26 C ATOM 1449 O GLN A 91 6.013 11.026 2.398 1.00 0.30 O ATOM 1450 CB GLN A 91 4.174 11.744 4.560 1.00 0.39 C ATOM 1451 CG GLN A 91 3.113 12.264 3.604 1.00 0.61 C ATOM 1452 CD GLN A 91 2.695 13.692 3.908 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.599 14.470 4.479 1.00 1.11 O flip ATOM 1454 NE2 GLN A 91 1.567 14.091 3.639 1.00 1.03 N flip ATOM 0 H GLN A 91 6.325 10.760 5.414 1.00 0.33 H new ATOM 0 HA GLN A 91 3.820 9.643 4.390 1.00 0.31 H new ATOM 0 HB2 GLN A 91 3.775 11.760 5.574 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.029 12.420 4.543 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.493 12.211 2.584 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.238 11.616 3.653 1.00 0.61 H new ATOM 0 HE21 GLN A 91 0.895 13.462 3.198 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.301 15.051 3.856 1.00 1.03 H new ATOM 1463 N PHE A 92 4.611 9.324 2.024 1.00 0.24 N ATOM 1464 CA PHE A 92 5.142 9.096 0.697 1.00 0.24 C ATOM 1465 C PHE A 92 4.181 9.515 -0.386 1.00 0.26 C ATOM 1466 O PHE A 92 2.982 9.305 -0.297 1.00 0.35 O ATOM 1467 CB PHE A 92 5.520 7.630 0.502 1.00 0.31 C ATOM 1468 CG PHE A 92 6.726 7.226 1.287 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.923 7.895 1.116 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.665 6.180 2.191 1.00 0.42 C ATOM 1471 CE1 PHE A 92 9.041 7.531 1.831 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.781 5.811 2.911 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.969 6.489 2.729 1.00 0.48 C ATOM 0 H PHE A 92 3.828 8.725 2.286 1.00 0.24 H new ATOM 0 HA PHE A 92 6.035 9.715 0.614 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.678 7.002 0.792 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.704 7.446 -0.556 1.00 0.31 H new ATOM 0 HD1 PHE A 92 7.982 8.713 0.413 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.736 5.649 2.334 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.972 8.060 1.689 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.726 4.994 3.615 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.845 6.202 3.292 1.00 0.48 H new ATOM 1483 N THR A 93 4.738 10.117 -1.402 1.00 0.23 N ATOM 1484 CA THR A 93 4.032 10.374 -2.624 1.00 0.27 C ATOM 1485 C THR A 93 4.695 9.503 -3.675 1.00 0.26 C ATOM 1486 O THR A 93 5.713 8.880 -3.385 1.00 0.25 O ATOM 1487 CB THR A 93 4.122 11.869 -3.016 1.00 0.35 C ATOM 1488 OG1 THR A 93 5.486 12.242 -3.230 1.00 1.29 O ATOM 1489 CG2 THR A 93 3.544 12.767 -1.931 1.00 0.92 C ATOM 0 H THR A 93 5.704 10.445 -1.403 1.00 0.23 H new ATOM 0 HA THR A 93 2.971 10.146 -2.523 1.00 0.27 H new ATOM 0 HB THR A 93 3.544 11.998 -3.931 1.00 0.35 H new ATOM 0 HG1 THR A 93 6.065 11.717 -2.639 1.00 1.29 H new ATOM 0 HG21 THR A 93 3.624 13.809 -2.240 1.00 0.92 H new ATOM 0 HG22 THR A 93 2.496 12.516 -1.771 1.00 0.92 H new ATOM 0 HG23 THR A 93 4.098 12.620 -1.004 1.00 0.92 H new ATOM 1497 N LEU A 94 4.156 9.410 -4.864 1.00 0.34 N ATOM 1498 CA LEU A 94 4.873 8.720 -5.903 1.00 0.37 C ATOM 1499 C LEU A 94 5.530 9.748 -6.799 1.00 0.34 C ATOM 1500 O LEU A 94 5.047 10.875 -6.898 1.00 0.39 O ATOM 1501 CB LEU A 94 3.963 7.789 -6.689 1.00 0.54 C ATOM 1502 CG LEU A 94 2.808 8.452 -7.410 1.00 0.50 C ATOM 1503 CD1 LEU A 94 2.629 7.792 -8.759 1.00 0.88 C ATOM 1504 CD2 LEU A 94 1.543 8.344 -6.576 1.00 0.75 C ATOM 0 H LEU A 94 3.249 9.792 -5.132 1.00 0.34 H new ATOM 0 HA LEU A 94 5.640 8.088 -5.456 1.00 0.37 H new ATOM 0 HB2 LEU A 94 4.567 7.255 -7.423 1.00 0.54 H new ATOM 0 HB3 LEU A 94 3.559 7.043 -6.005 1.00 0.54 H new ATOM 0 HG LEU A 94 3.019 9.511 -7.559 1.00 0.50 H new ATOM 0 HD11 LEU A 94 1.799 8.262 -9.287 1.00 0.88 H new ATOM 0 HD12 LEU A 94 3.542 7.906 -9.344 1.00 0.88 H new ATOM 0 HD13 LEU A 94 2.417 6.732 -8.620 1.00 0.88 H new ATOM 0 HD21 LEU A 94 0.718 8.824 -7.103 1.00 0.75 H new ATOM 0 HD22 LEU A 94 1.305 7.293 -6.410 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.697 8.838 -5.616 1.00 0.75 H new ATOM 1516 N GLY A 95 6.648 9.359 -7.406 1.00 0.32 N ATOM 1517 CA GLY A 95 7.476 10.284 -8.157 1.00 0.34 C ATOM 1518 C GLY A 95 6.673 11.133 -9.125 1.00 0.46 C ATOM 1519 O GLY A 95 6.194 10.645 -10.151 1.00 0.88 O ATOM 0 H GLY A 95 6.999 8.401 -7.389 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.008 10.935 -7.463 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.230 9.724 -8.710 1.00 0.34 H new ATOM 1523 N ASN A 96 6.532 12.402 -8.764 1.00 0.57 N ATOM 1524 CA ASN A 96 5.731 13.381 -9.515 1.00 0.71 C ATOM 1525 C ASN A 96 4.242 13.015 -9.511 1.00 0.61 C ATOM 1526 O ASN A 96 3.618 12.918 -10.565 1.00 0.66 O ATOM 1527 CB ASN A 96 6.224 13.525 -10.963 1.00 0.98 C ATOM 1528 CG ASN A 96 7.643 14.061 -11.070 1.00 1.89 C ATOM 1529 OD1 ASN A 96 8.489 13.822 -10.203 1.00 2.72 O ATOM 1530 ND2 ASN A 96 7.914 14.798 -12.136 1.00 2.42 N ATOM 0 H ASN A 96 6.973 12.793 -7.932 1.00 0.57 H new ATOM 0 HA ASN A 96 5.856 14.338 -9.008 1.00 0.71 H new ATOM 0 HB2 ASN A 96 6.173 12.553 -11.454 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.551 14.191 -11.503 1.00 0.98 H new ATOM 0 HD21 ASN A 96 8.848 15.189 -12.261 1.00 2.42 H new ATOM 0 HD22 ASN A 96 7.189 14.974 -12.832 1.00 2.42 H new ATOM 1537 N ILE A 97 3.675 12.832 -8.318 1.00 0.55 N ATOM 1538 CA ILE A 97 2.258 12.473 -8.175 1.00 0.57 C ATOM 1539 C ILE A 97 1.328 13.515 -8.788 1.00 0.74 C ATOM 1540 O ILE A 97 0.407 13.177 -9.525 1.00 0.88 O ATOM 1541 CB ILE A 97 1.848 12.273 -6.690 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.324 12.121 -6.564 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.334 13.441 -5.833 1.00 0.60 C ATOM 1544 CD1 ILE A 97 -0.233 10.910 -7.277 1.00 1.20 C ATOM 0 H ILE A 97 4.174 12.926 -7.433 1.00 0.55 H new ATOM 0 HA ILE A 97 2.151 11.531 -8.713 1.00 0.57 H new ATOM 0 HB ILE A 97 2.320 11.359 -6.330 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.061 12.061 -5.508 1.00 0.68 H new ATOM 0 HG13 ILE A 97 -0.154 13.016 -6.961 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.036 13.281 -4.797 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.420 13.508 -5.892 1.00 0.60 H new ATOM 0 HG23 ILE A 97 1.893 14.368 -6.198 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -1.314 10.873 -7.141 1.00 1.20 H new ATOM 0 HD12 ILE A 97 -0.003 10.976 -8.340 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.216 10.006 -6.864 1.00 1.20 H new ATOM 1556 N HIS A 98 1.568 14.781 -8.498 1.00 0.85 N ATOM 1557 CA HIS A 98 0.630 15.823 -8.879 1.00 1.12 C ATOM 1558 C HIS A 98 0.749 16.146 -10.368 1.00 1.14 C ATOM 1559 O HIS A 98 0.140 17.091 -10.862 1.00 1.38 O ATOM 1560 CB HIS A 98 0.818 17.060 -8.002 1.00 1.38 C ATOM 1561 CG HIS A 98 -0.386 17.962 -7.980 1.00 2.01 C ATOM 1562 ND1 HIS A 98 -1.555 17.647 -7.314 1.00 2.88 N ATOM 1563 CD2 HIS A 98 -0.604 19.166 -8.560 1.00 2.69 C ATOM 1564 CE1 HIS A 98 -2.434 18.616 -7.489 1.00 3.63 C ATOM 1565 NE2 HIS A 98 -1.883 19.548 -8.241 1.00 3.56 N ATOM 0 H HIS A 98 2.397 15.111 -8.004 1.00 0.85 H new ATOM 0 HA HIS A 98 -0.384 15.459 -8.714 1.00 1.12 H new ATOM 0 HB2 HIS A 98 1.045 16.744 -6.984 1.00 1.38 H new ATOM 0 HB3 HIS A 98 1.679 17.624 -8.361 1.00 1.38 H new ATOM 0 HD2 HIS A 98 0.099 19.723 -9.162 1.00 2.69 H new ATOM 0 HE1 HIS A 98 -3.435 18.641 -7.085 1.00 3.63 H new ATOM 0 HE2 HIS A 98 -2.334 20.413 -8.538 1.00 3.56 H new ATOM 1574 N SER A 99 1.555 15.356 -11.073 1.00 0.99 N ATOM 1575 CA SER A 99 1.587 15.399 -12.525 1.00 1.16 C ATOM 1576 C SER A 99 0.335 14.704 -13.062 1.00 1.22 C ATOM 1577 O SER A 99 0.004 14.797 -14.246 1.00 1.30 O ATOM 1578 CB SER A 99 2.860 14.723 -13.052 1.00 1.24 C ATOM 1579 OG SER A 99 3.055 14.985 -14.432 1.00 1.79 O ATOM 0 H SER A 99 2.194 14.678 -10.657 1.00 0.99 H new ATOM 0 HA SER A 99 1.600 16.434 -12.866 1.00 1.16 H new ATOM 0 HB2 SER A 99 3.722 15.079 -12.488 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.795 13.647 -12.891 1.00 1.24 H new ATOM 0 HG SER A 99 2.187 15.133 -14.863 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.345 13.993 -12.169 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.656 13.431 -12.453 1.00 1.30 C ATOM 1587 C TYR A 100 -2.720 14.514 -12.286 1.00 1.17 C ATOM 1588 O TYR A 100 -2.741 15.230 -11.286 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.953 12.255 -11.528 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.138 11.009 -11.803 1.00 2.74 C ATOM 1591 CD1 TYR A 100 0.206 10.931 -11.457 1.00 2.85 C ATOM 1592 CD2 TYR A 100 -1.728 9.898 -12.394 1.00 3.75 C ATOM 1593 CE1 TYR A 100 0.938 9.784 -11.693 1.00 3.91 C ATOM 1594 CE2 TYR A 100 -1.003 8.750 -12.635 1.00 4.83 C ATOM 1595 CZ TYR A 100 0.328 8.696 -12.283 1.00 4.89 C ATOM 1596 OH TYR A 100 1.048 7.547 -12.517 1.00 5.98 O ATOM 0 H TYR A 100 -0.002 13.792 -11.230 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.667 13.065 -13.480 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.777 12.567 -10.499 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -3.011 12.005 -11.609 1.00 1.63 H new ATOM 0 HD1 TYR A 100 0.686 11.782 -10.996 1.00 2.85 H new ATOM 0 HD2 TYR A 100 -2.772 9.934 -12.669 1.00 3.75 H new ATOM 0 HE1 TYR A 100 1.981 9.739 -11.418 1.00 3.91 H new ATOM 0 HE2 TYR A 100 -1.477 7.897 -13.098 1.00 4.83 H new ATOM 0 HH TYR A 100 0.468 6.878 -12.937 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.620 14.629 -13.272 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.557 15.758 -13.388 1.00 1.04 C ATOM 1608 C PRO A 101 -5.678 15.760 -12.347 1.00 0.89 C ATOM 1609 O PRO A 101 -6.073 16.817 -11.859 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.145 15.577 -14.789 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.047 14.114 -15.054 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.795 13.652 -14.360 1.00 1.21 C ATOM 0 HA PRO A 101 -4.043 16.704 -13.221 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.179 15.919 -14.832 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.589 16.152 -15.529 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -5.922 13.588 -14.672 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -4.997 13.913 -16.124 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -3.901 12.638 -13.975 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.940 13.648 -15.036 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.199 14.588 -12.017 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.350 14.497 -11.125 1.00 0.74 C ATOM 1622 C GLN A 102 -6.921 14.228 -9.690 1.00 0.63 C ATOM 1623 O GLN A 102 -7.695 14.421 -8.745 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.293 13.390 -11.592 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.601 13.346 -10.821 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.438 14.591 -11.036 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.315 15.573 -10.303 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -11.290 14.560 -12.045 1.00 1.73 N ATOM 0 H GLN A 102 -5.847 13.690 -12.350 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.868 15.456 -11.155 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.509 13.530 -12.651 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.789 12.428 -11.493 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -10.172 12.470 -11.128 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -9.390 13.232 -9.758 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -11.360 13.726 -12.628 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.878 15.370 -12.241 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.690 13.777 -9.528 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.188 13.404 -8.223 1.00 0.51 C ATOM 1639 C ILE A 103 -4.882 14.642 -7.398 1.00 0.52 C ATOM 1640 O ILE A 103 -3.946 15.397 -7.672 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.935 12.495 -8.304 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.288 11.111 -8.879 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.309 12.342 -6.918 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.718 11.114 -10.336 1.00 1.10 C ATOM 0 H ILE A 103 -5.020 13.661 -10.288 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.974 12.827 -7.736 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.216 12.967 -8.974 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.422 10.458 -8.772 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -5.089 10.678 -8.280 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.429 11.702 -6.985 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -3.017 13.322 -6.541 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -4.034 11.893 -6.239 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.946 10.095 -10.650 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.605 11.736 -10.452 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.912 11.512 -10.952 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.716 14.823 -6.392 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.626 15.929 -5.462 1.00 0.48 C ATOM 1658 C GLN A 104 -4.342 15.811 -4.665 1.00 0.50 C ATOM 1659 O GLN A 104 -3.508 16.716 -4.653 1.00 0.63 O ATOM 1660 CB GLN A 104 -6.840 15.856 -4.537 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.090 15.458 -5.293 1.00 0.43 C ATOM 1662 CD GLN A 104 -8.738 16.642 -5.980 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.230 16.429 -7.182 1.00 1.40 O flip ATOM 1664 NE2 GLN A 104 -8.741 17.752 -5.455 1.00 0.98 N flip ATOM 0 H GLN A 104 -6.492 14.190 -6.195 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.616 16.884 -5.987 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.650 15.136 -3.741 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -6.994 16.824 -4.060 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -7.839 14.701 -6.036 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -8.802 15.005 -4.603 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.350 17.876 -4.521 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.135 18.551 -5.953 1.00 0.98 H new ATOM 1673 N SER A 105 -4.192 14.662 -4.034 1.00 0.40 N ATOM 1674 CA SER A 105 -3.019 14.340 -3.253 1.00 0.41 C ATOM 1675 C SER A 105 -2.840 12.830 -3.230 1.00 0.36 C ATOM 1676 O SER A 105 -3.777 12.081 -3.529 1.00 0.39 O ATOM 1677 CB SER A 105 -3.156 14.877 -1.821 1.00 0.48 C ATOM 1678 OG SER A 105 -3.241 16.293 -1.803 1.00 1.13 O ATOM 0 H SER A 105 -4.891 13.919 -4.051 1.00 0.40 H new ATOM 0 HA SER A 105 -2.146 14.809 -3.707 1.00 0.41 H new ATOM 0 HB2 SER A 105 -4.045 14.452 -1.355 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.301 14.555 -1.227 1.00 0.48 H new ATOM 0 HG SER A 105 -3.329 16.604 -0.878 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.642 12.386 -2.912 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.380 10.973 -2.742 1.00 0.34 C ATOM 1686 C TYR A 106 -0.285 10.794 -1.704 1.00 0.36 C ATOM 1687 O TYR A 106 0.874 11.121 -1.949 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.985 10.313 -4.073 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.920 8.805 -4.003 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.212 8.168 -3.519 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.995 8.020 -4.404 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.278 6.793 -3.436 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.938 6.642 -4.327 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.800 6.034 -3.843 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.739 4.660 -3.764 1.00 0.52 O ATOM 0 H TYR A 106 -0.831 12.987 -2.766 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.291 10.482 -2.399 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.703 10.602 -4.840 1.00 0.37 H new ATOM 0 HB3 TYR A 106 -0.014 10.696 -4.385 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.058 8.759 -3.201 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.888 8.495 -4.782 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.168 6.313 -3.055 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.780 6.045 -4.644 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.580 4.276 -4.089 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.669 10.282 -0.549 1.00 0.34 N ATOM 1706 CA ASP A 107 0.255 10.101 0.559 1.00 0.36 C ATOM 1707 C ASP A 107 0.123 8.707 1.144 1.00 0.38 C ATOM 1708 O ASP A 107 -0.974 8.229 1.413 1.00 0.46 O ATOM 1709 CB ASP A 107 0.059 11.176 1.647 1.00 0.48 C ATOM 1710 CG ASP A 107 -1.398 11.535 1.900 1.00 1.27 C ATOM 1711 OD1 ASP A 107 -1.926 12.413 1.181 1.00 1.31 O ATOM 1712 OD2 ASP A 107 -2.008 10.981 2.832 1.00 2.25 O ATOM 0 H ASP A 107 -1.623 9.981 -0.352 1.00 0.34 H new ATOM 0 HA ASP A 107 1.266 10.216 0.168 1.00 0.36 H new ATOM 0 HB2 ASP A 107 0.503 10.823 2.578 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.600 12.076 1.357 1.00 0.48 H new ATOM 1717 N VAL A 108 1.255 8.040 1.271 1.00 0.38 N ATOM 1718 CA VAL A 108 1.319 6.719 1.869 1.00 0.44 C ATOM 1719 C VAL A 108 2.314 6.726 3.024 1.00 0.47 C ATOM 1720 O VAL A 108 3.503 6.982 2.846 1.00 0.58 O ATOM 1721 CB VAL A 108 1.666 5.621 0.816 1.00 0.48 C ATOM 1722 CG1 VAL A 108 2.054 6.254 -0.505 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.769 4.682 1.292 1.00 0.70 C ATOM 0 H VAL A 108 2.158 8.400 0.962 1.00 0.38 H new ATOM 0 HA VAL A 108 0.333 6.469 2.260 1.00 0.44 H new ATOM 0 HB VAL A 108 0.767 5.020 0.679 1.00 0.48 H new ATOM 0 HG11 VAL A 108 2.293 5.473 -1.227 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.224 6.853 -0.879 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.925 6.893 -0.360 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.971 3.938 0.522 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.675 5.255 1.489 1.00 0.70 H new ATOM 0 HG23 VAL A 108 2.451 4.181 2.206 1.00 0.70 H new ATOM 1733 N GLN A 109 1.795 6.523 4.215 1.00 0.44 N ATOM 1734 CA GLN A 109 2.602 6.515 5.418 1.00 0.50 C ATOM 1735 C GLN A 109 2.612 5.132 6.022 1.00 0.30 C ATOM 1736 O GLN A 109 1.562 4.510 6.189 1.00 0.29 O ATOM 1737 CB GLN A 109 2.052 7.498 6.451 1.00 0.85 C ATOM 1738 CG GLN A 109 1.354 8.700 5.847 1.00 0.92 C ATOM 1739 CD GLN A 109 0.000 8.358 5.239 1.00 2.08 C ATOM 1740 OE1 GLN A 109 -0.420 8.954 4.261 1.00 2.86 O ATOM 1741 NE2 GLN A 109 -0.686 7.390 5.814 1.00 2.81 N ATOM 0 H GLN A 109 0.802 6.359 4.378 1.00 0.44 H new ATOM 0 HA GLN A 109 3.614 6.813 5.145 1.00 0.50 H new ATOM 0 HB2 GLN A 109 1.352 6.973 7.101 1.00 0.85 H new ATOM 0 HB3 GLN A 109 2.872 7.845 7.080 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.219 9.460 6.617 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.992 9.135 5.078 1.00 0.92 H new ATOM 0 HE21 GLN A 109 -0.306 6.911 6.631 1.00 2.81 H new ATOM 0 HE22 GLN A 109 -1.596 7.120 5.442 1.00 2.81 H new ATOM 1750 N VAL A 110 3.788 4.649 6.347 1.00 0.33 N ATOM 1751 CA VAL A 110 3.901 3.362 6.995 1.00 0.27 C ATOM 1752 C VAL A 110 3.836 3.556 8.513 1.00 0.30 C ATOM 1753 O VAL A 110 4.550 4.383 9.082 1.00 0.41 O ATOM 1754 CB VAL A 110 5.203 2.623 6.592 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.437 3.332 7.122 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.178 1.175 7.061 1.00 0.77 C ATOM 0 H VAL A 110 4.675 5.123 6.175 1.00 0.33 H new ATOM 0 HA VAL A 110 3.070 2.737 6.668 1.00 0.27 H new ATOM 0 HB VAL A 110 5.255 2.632 5.503 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.329 2.784 6.819 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.477 4.343 6.718 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.391 3.378 8.210 1.00 0.76 H new ATOM 0 HG21 VAL A 110 6.103 0.681 6.765 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.082 1.146 8.146 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.331 0.660 6.608 1.00 0.77 H new ATOM 1766 N ALA A 111 2.943 2.816 9.152 1.00 0.29 N ATOM 1767 CA ALA A 111 2.766 2.893 10.593 1.00 0.36 C ATOM 1768 C ALA A 111 3.970 2.299 11.299 1.00 0.37 C ATOM 1769 O ALA A 111 4.412 2.798 12.332 1.00 0.44 O ATOM 1770 CB ALA A 111 1.492 2.170 11.006 1.00 0.42 C ATOM 0 H ALA A 111 2.325 2.150 8.690 1.00 0.29 H new ATOM 0 HA ALA A 111 2.677 3.940 10.883 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.371 2.235 12.087 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.636 2.634 10.517 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.556 1.123 10.710 1.00 0.42 H new ATOM 1776 N ASP A 112 4.489 1.222 10.731 1.00 0.35 N ATOM 1777 CA ASP A 112 5.709 0.604 11.231 1.00 0.46 C ATOM 1778 C ASP A 112 6.320 -0.253 10.138 1.00 0.37 C ATOM 1779 O ASP A 112 5.629 -1.069 9.529 1.00 0.35 O ATOM 1780 CB ASP A 112 5.425 -0.251 12.466 1.00 0.67 C ATOM 1781 CG ASP A 112 6.689 -0.670 13.197 1.00 1.36 C ATOM 1782 OD1 ASP A 112 7.753 -0.062 12.951 1.00 2.20 O ATOM 1783 OD2 ASP A 112 6.629 -1.612 14.017 1.00 1.88 O ATOM 0 H ASP A 112 4.083 0.755 9.920 1.00 0.35 H new ATOM 0 HA ASP A 112 6.407 1.390 11.519 1.00 0.46 H new ATOM 0 HB2 ASP A 112 4.784 0.307 13.149 1.00 0.67 H new ATOM 0 HB3 ASP A 112 4.872 -1.141 12.166 1.00 0.67 H new ATOM 1788 N THR A 113 7.595 -0.039 9.868 1.00 0.37 N ATOM 1789 CA THR A 113 8.280 -0.761 8.807 1.00 0.36 C ATOM 1790 C THR A 113 9.650 -1.253 9.271 1.00 0.44 C ATOM 1791 O THR A 113 10.395 -0.525 9.930 1.00 0.55 O ATOM 1792 CB THR A 113 8.439 0.097 7.526 1.00 0.37 C ATOM 1793 OG1 THR A 113 8.927 -0.717 6.451 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.394 1.273 7.739 1.00 0.51 C ATOM 0 H THR A 113 8.180 0.630 10.369 1.00 0.37 H new ATOM 0 HA THR A 113 7.656 -1.621 8.563 1.00 0.36 H new ATOM 0 HB THR A 113 7.456 0.499 7.280 1.00 0.37 H new ATOM 0 HG1 THR A 113 8.975 -0.182 5.631 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.476 1.847 6.816 1.00 0.51 H new ATOM 0 HG22 THR A 113 9.010 1.914 8.532 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.377 0.897 8.021 1.00 0.51 H new ATOM 1802 N ASP A 114 9.945 -2.506 8.970 1.00 0.43 N ATOM 1803 CA ASP A 114 11.272 -3.066 9.189 1.00 0.57 C ATOM 1804 C ASP A 114 11.599 -4.023 8.047 1.00 0.64 C ATOM 1805 O ASP A 114 10.693 -4.482 7.354 1.00 0.61 O ATOM 1806 CB ASP A 114 11.336 -3.774 10.543 1.00 0.60 C ATOM 1807 CG ASP A 114 12.709 -4.330 10.861 1.00 1.24 C ATOM 1808 OD1 ASP A 114 13.572 -3.556 11.326 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.926 -5.544 10.655 1.00 2.10 O ATOM 0 H ASP A 114 9.276 -3.163 8.569 1.00 0.43 H new ATOM 0 HA ASP A 114 12.013 -2.267 9.204 1.00 0.57 H new ATOM 0 HB2 ASP A 114 11.044 -3.074 11.326 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.610 -4.587 10.555 1.00 0.60 H new ATOM 1814 N TYR A 115 12.881 -4.309 7.840 1.00 0.84 N ATOM 1815 CA TYR A 115 13.300 -5.164 6.731 1.00 0.99 C ATOM 1816 C TYR A 115 12.950 -6.631 6.986 1.00 0.90 C ATOM 1817 O TYR A 115 12.687 -7.384 6.047 1.00 1.07 O ATOM 1818 CB TYR A 115 14.803 -5.017 6.462 1.00 1.25 C ATOM 1819 CG TYR A 115 15.702 -5.505 7.579 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.951 -4.721 8.698 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.310 -6.752 7.505 1.00 1.67 C ATOM 1822 CE1 TYR A 115 16.782 -5.165 9.710 1.00 2.16 C ATOM 1823 CE2 TYR A 115 17.138 -7.204 8.513 1.00 2.05 C ATOM 1824 CZ TYR A 115 17.371 -6.408 9.612 1.00 2.26 C ATOM 1825 OH TYR A 115 18.205 -6.851 10.612 1.00 2.75 O ATOM 0 H TYR A 115 13.645 -3.964 8.421 1.00 0.84 H new ATOM 0 HA TYR A 115 12.753 -4.836 5.847 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.049 -5.564 5.552 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.022 -3.966 6.272 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.488 -3.749 8.779 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.132 -7.379 6.644 1.00 1.67 H new ATOM 0 HE1 TYR A 115 16.969 -4.542 10.572 1.00 2.16 H new ATOM 0 HE2 TYR A 115 17.601 -8.177 8.440 1.00 2.05 H new ATOM 0 HH TYR A 115 18.536 -7.746 10.389 1.00 2.75 H new ATOM 1835 N ASP A 116 12.953 -7.031 8.254 1.00 0.77 N ATOM 1836 CA ASP A 116 12.645 -8.412 8.626 1.00 0.74 C ATOM 1837 C ASP A 116 11.256 -8.487 9.252 1.00 0.64 C ATOM 1838 O ASP A 116 10.521 -9.460 9.079 1.00 0.66 O ATOM 1839 CB ASP A 116 13.695 -8.950 9.603 1.00 0.82 C ATOM 1840 CG ASP A 116 13.517 -10.427 9.896 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.977 -11.259 9.086 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.906 -10.758 10.934 1.00 1.40 O ATOM 0 H ASP A 116 13.165 -6.420 9.043 1.00 0.77 H new ATOM 0 HA ASP A 116 12.662 -9.028 7.727 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.690 -8.783 9.190 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.639 -8.389 10.536 1.00 0.82 H new ATOM 1847 N GLN A 117 10.907 -7.442 9.983 1.00 0.59 N ATOM 1848 CA GLN A 117 9.576 -7.294 10.554 1.00 0.50 C ATOM 1849 C GLN A 117 8.559 -7.004 9.438 1.00 0.37 C ATOM 1850 O GLN A 117 8.928 -6.830 8.277 1.00 0.39 O ATOM 1851 CB GLN A 117 9.580 -6.179 11.608 1.00 0.56 C ATOM 1852 CG GLN A 117 8.256 -5.982 12.329 1.00 1.22 C ATOM 1853 CD GLN A 117 8.215 -4.703 13.135 1.00 1.68 C ATOM 1854 OE1 GLN A 117 9.223 -4.266 13.689 1.00 2.16 O ATOM 1855 NE2 GLN A 117 7.051 -4.079 13.177 1.00 2.51 N ATOM 0 H GLN A 117 11.538 -6.670 10.198 1.00 0.59 H new ATOM 0 HA GLN A 117 9.285 -8.222 11.046 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.351 -6.398 12.346 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.858 -5.242 11.125 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.447 -5.972 11.598 1.00 1.22 H new ATOM 0 HG3 GLN A 117 8.078 -6.830 12.991 1.00 1.22 H new ATOM 0 HE21 GLN A 117 6.241 -4.478 12.703 1.00 2.51 H new ATOM 0 HE22 GLN A 117 6.963 -3.198 13.684 1.00 2.51 H new ATOM 1864 N PHE A 118 7.287 -6.954 9.795 1.00 0.30 N ATOM 1865 CA PHE A 118 6.212 -6.780 8.835 1.00 0.25 C ATOM 1866 C PHE A 118 5.782 -5.311 8.856 1.00 0.26 C ATOM 1867 O PHE A 118 5.851 -4.660 9.902 1.00 0.40 O ATOM 1868 CB PHE A 118 5.040 -7.688 9.240 1.00 0.31 C ATOM 1869 CG PHE A 118 4.156 -7.093 10.301 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.596 -6.975 11.611 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.891 -6.638 9.978 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.784 -6.415 12.579 1.00 0.41 C ATOM 1873 CE2 PHE A 118 2.077 -6.073 10.941 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.523 -5.962 12.243 1.00 0.42 C ATOM 0 H PHE A 118 6.971 -7.033 10.761 1.00 0.30 H new ATOM 0 HA PHE A 118 6.537 -7.047 7.829 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.438 -7.906 8.358 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.435 -8.638 9.599 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.583 -7.324 11.877 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.535 -6.725 8.962 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.135 -6.332 13.597 1.00 0.41 H new ATOM 0 HE2 PHE A 118 1.092 -5.718 10.675 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.887 -5.522 12.997 1.00 0.42 H new ATOM 1884 N ALA A 119 5.359 -4.782 7.715 1.00 0.23 N ATOM 1885 CA ALA A 119 5.111 -3.350 7.607 1.00 0.23 C ATOM 1886 C ALA A 119 3.647 -3.038 7.339 1.00 0.21 C ATOM 1887 O ALA A 119 3.015 -3.625 6.460 1.00 0.28 O ATOM 1888 CB ALA A 119 5.995 -2.724 6.540 1.00 0.25 C ATOM 0 H ALA A 119 5.182 -5.314 6.863 1.00 0.23 H new ATOM 0 HA ALA A 119 5.364 -2.911 8.572 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.791 -1.655 6.479 1.00 0.25 H new ATOM 0 HB2 ALA A 119 7.043 -2.879 6.798 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.787 -3.189 5.576 1.00 0.25 H new ATOM 1894 N MET A 120 3.129 -2.095 8.101 1.00 0.19 N ATOM 1895 CA MET A 120 1.744 -1.661 7.988 1.00 0.21 C ATOM 1896 C MET A 120 1.684 -0.291 7.329 1.00 0.22 C ATOM 1897 O MET A 120 2.187 0.673 7.888 1.00 0.25 O ATOM 1898 CB MET A 120 1.130 -1.578 9.383 1.00 0.27 C ATOM 1899 CG MET A 120 0.824 -2.930 10.013 1.00 0.48 C ATOM 1900 SD MET A 120 0.019 -2.773 11.619 1.00 0.63 S ATOM 1901 CE MET A 120 1.228 -1.791 12.503 1.00 1.47 C ATOM 0 H MET A 120 3.658 -1.603 8.821 1.00 0.19 H new ATOM 0 HA MET A 120 1.189 -2.376 7.380 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.811 -1.032 10.035 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.208 -0.999 9.328 1.00 0.27 H new ATOM 0 HG2 MET A 120 0.183 -3.503 9.343 1.00 0.48 H new ATOM 0 HG3 MET A 120 1.751 -3.493 10.127 1.00 0.48 H new ATOM 0 HE1 MET A 120 1.049 -1.872 13.575 1.00 1.47 H new ATOM 0 HE2 MET A 120 2.230 -2.155 12.274 1.00 1.47 H new ATOM 0 HE3 MET A 120 1.142 -0.748 12.199 1.00 1.47 H new ATOM 1911 N VAL A 121 1.081 -0.183 6.151 1.00 0.25 N ATOM 1912 CA VAL A 121 1.119 1.084 5.424 1.00 0.26 C ATOM 1913 C VAL A 121 -0.275 1.604 5.086 1.00 0.29 C ATOM 1914 O VAL A 121 -1.154 0.844 4.696 1.00 0.39 O ATOM 1915 CB VAL A 121 1.907 0.974 4.108 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.547 2.308 3.780 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.952 -0.125 4.164 1.00 0.28 C ATOM 0 H VAL A 121 0.572 -0.935 5.687 1.00 0.25 H new ATOM 0 HA VAL A 121 1.617 1.780 6.099 1.00 0.26 H new ATOM 0 HB VAL A 121 1.206 0.708 3.317 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.104 2.225 2.847 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.772 3.067 3.673 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.226 2.593 4.584 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.485 -0.169 3.214 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.658 0.085 4.968 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.464 -1.082 4.350 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.451 2.909 5.220 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.677 3.587 4.821 1.00 0.27 C ATOM 1929 C PHE A 122 -1.403 4.368 3.530 1.00 0.27 C ATOM 1930 O PHE A 122 -0.620 5.309 3.526 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.143 4.502 5.988 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.284 5.487 5.720 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -3.641 5.880 4.437 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -3.976 6.056 6.788 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -4.650 6.796 4.223 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -4.981 6.978 6.573 1.00 0.38 C ATOM 1937 CZ PHE A 122 -5.319 7.346 5.291 1.00 0.63 C ATOM 0 H PHE A 122 0.256 3.532 5.611 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.482 2.881 4.617 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.444 3.860 6.815 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.280 5.075 6.327 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -3.119 5.460 3.590 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -3.722 5.771 7.798 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -4.915 7.081 3.216 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -5.503 7.411 7.413 1.00 0.38 H new ATOM 0 HZ PHE A 122 -6.108 8.065 5.124 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.047 3.952 2.442 1.00 0.34 N ATOM 1948 CA PHE A 123 -1.944 4.637 1.147 1.00 0.34 C ATOM 1949 C PHE A 123 -3.202 5.467 0.912 1.00 0.35 C ATOM 1950 O PHE A 123 -4.312 4.953 1.054 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.812 3.626 0.000 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.493 2.909 -0.082 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.018 2.156 0.979 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.258 2.963 -1.244 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.179 1.476 0.882 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.459 2.289 -1.345 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.920 1.542 -0.280 1.00 0.41 C ATOM 0 H PHE A 123 -2.655 3.133 2.429 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.059 5.273 1.169 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.604 2.884 0.100 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -1.982 4.147 -0.942 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.591 2.100 1.893 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.101 3.540 -2.083 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.536 0.891 1.717 1.00 0.33 H new ATOM 0 HE2 PHE A 123 2.037 2.346 -2.256 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.857 1.011 -0.356 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.040 6.728 0.558 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.189 7.591 0.302 1.00 0.39 C ATOM 1969 C GLN A 124 -4.150 8.154 -1.118 1.00 0.34 C ATOM 1970 O GLN A 124 -3.134 8.688 -1.558 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.239 8.735 1.314 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.525 9.544 1.250 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.550 10.687 2.243 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -4.842 10.527 3.348 1.00 1.54 O flip ATOM 1975 NE2 GLN A 124 -6.191 11.712 2.011 1.00 1.57 N flip ATOM 0 H GLN A 124 -2.133 7.180 0.440 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.089 6.985 0.408 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.125 8.327 2.318 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.392 9.399 1.142 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.649 9.941 0.243 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.373 8.886 1.440 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -6.724 11.795 1.146 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -6.189 12.478 2.684 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.268 8.030 -1.817 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.409 8.521 -3.179 1.00 0.38 C ATOM 1986 C LYS A 125 -6.607 9.461 -3.277 1.00 0.35 C ATOM 1987 O LYS A 125 -7.747 9.053 -3.060 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.595 7.344 -4.145 1.00 0.53 C ATOM 1989 CG LYS A 125 -5.975 7.759 -5.557 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.412 6.561 -6.383 1.00 1.06 C ATOM 1991 CE LYS A 125 -6.958 6.982 -7.738 1.00 1.36 C ATOM 1992 NZ LYS A 125 -5.926 7.641 -8.580 1.00 1.55 N ATOM 0 H LYS A 125 -6.109 7.583 -1.452 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.505 9.067 -3.450 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.670 6.768 -4.183 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.367 6.682 -3.751 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.781 8.491 -5.519 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -5.126 8.245 -6.037 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -5.566 5.888 -6.524 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -7.175 6.003 -5.840 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -7.345 6.107 -8.260 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -7.796 7.664 -7.594 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -6.324 7.849 -9.518 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -5.623 8.527 -8.128 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -5.107 7.008 -8.685 1.00 1.55 H new ATOM 2006 N THR A 126 -6.357 10.717 -3.592 1.00 0.31 N ATOM 2007 CA THR A 126 -7.437 11.675 -3.757 1.00 0.31 C ATOM 2008 C THR A 126 -7.669 11.956 -5.232 1.00 0.34 C ATOM 2009 O THR A 126 -6.720 12.199 -5.972 1.00 0.39 O ATOM 2010 CB THR A 126 -7.112 13.006 -3.068 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.101 12.806 -2.075 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.348 13.591 -2.410 1.00 0.47 C ATOM 0 H THR A 126 -5.422 11.098 -3.738 1.00 0.31 H new ATOM 0 HA THR A 126 -8.327 11.238 -3.304 1.00 0.31 H new ATOM 0 HB THR A 126 -6.754 13.702 -3.827 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.243 12.627 -2.513 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.092 14.535 -1.928 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.114 13.766 -3.165 1.00 0.47 H new ATOM 0 HG23 THR A 126 -8.727 12.894 -1.663 1.00 0.47 H new ATOM 2020 N SER A 127 -8.915 11.918 -5.669 1.00 0.37 N ATOM 2021 CA SER A 127 -9.243 12.280 -7.040 1.00 0.45 C ATOM 2022 C SER A 127 -10.658 12.846 -7.106 1.00 0.51 C ATOM 2023 O SER A 127 -11.590 12.251 -6.578 1.00 0.52 O ATOM 2024 CB SER A 127 -9.105 11.063 -7.961 1.00 0.54 C ATOM 2025 OG SER A 127 -7.785 10.544 -7.920 1.00 0.87 O ATOM 0 H SER A 127 -9.714 11.642 -5.099 1.00 0.37 H new ATOM 0 HA SER A 127 -8.545 13.046 -7.379 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.813 10.291 -7.659 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.358 11.345 -8.983 1.00 0.54 H new ATOM 0 HG SER A 127 -7.720 9.767 -8.514 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.800 14.004 -7.749 1.00 0.63 N ATOM 2032 CA GLU A 128 -12.078 14.724 -7.825 1.00 0.74 C ATOM 2033 C GLU A 128 -12.663 14.943 -6.427 1.00 0.66 C ATOM 2034 O GLU A 128 -13.867 14.783 -6.195 1.00 0.71 O ATOM 2035 CB GLU A 128 -13.062 13.972 -8.724 1.00 0.89 C ATOM 2036 CG GLU A 128 -14.261 14.809 -9.132 1.00 1.26 C ATOM 2037 CD GLU A 128 -15.028 14.218 -10.296 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -14.509 14.243 -11.430 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -16.150 13.707 -10.083 1.00 2.13 O ATOM 0 H GLU A 128 -10.034 14.473 -8.233 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.897 15.704 -8.266 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -12.541 13.635 -9.620 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -13.410 13.080 -8.204 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.931 14.914 -8.279 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -13.924 15.811 -9.398 1.00 1.26 H new ATOM 2046 N ASN A 129 -11.781 15.285 -5.492 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.144 15.499 -4.086 1.00 0.70 C ATOM 2048 C ASN A 129 -12.705 14.233 -3.442 1.00 0.59 C ATOM 2049 O ASN A 129 -13.090 14.239 -2.276 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.136 16.657 -3.941 1.00 0.91 C ATOM 2051 CG ASN A 129 -12.479 18.013 -4.122 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -11.258 18.160 -3.626 1.00 1.64 O flip ATOM 2053 ND2 ASN A 129 -13.076 18.932 -4.676 1.00 2.21 N flip ATOM 0 H ASN A 129 -10.789 15.423 -5.685 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.227 15.760 -3.558 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -13.933 16.542 -4.676 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -13.601 16.611 -2.956 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -14.015 18.781 -5.045 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -12.633 19.846 -4.767 1.00 2.21 H new ATOM 2060 N LYS A 130 -12.763 13.151 -4.205 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.144 11.864 -3.664 1.00 0.49 C ATOM 2062 C LYS A 130 -11.897 11.182 -3.131 1.00 0.42 C ATOM 2063 O LYS A 130 -11.020 10.780 -3.897 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.820 11.005 -4.738 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.080 11.613 -5.348 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.257 11.629 -4.376 1.00 1.36 C ATOM 2067 CE LYS A 130 -16.151 12.757 -3.357 1.00 2.08 C ATOM 2068 NZ LYS A 130 -16.175 14.100 -3.998 1.00 2.80 N ATOM 0 H LYS A 130 -12.550 13.144 -5.202 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.863 11.999 -2.856 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.102 10.816 -5.536 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.074 10.039 -4.303 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -14.867 12.632 -5.671 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.357 11.048 -6.238 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -17.186 11.735 -4.936 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.307 10.674 -3.853 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -16.974 12.681 -2.647 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -15.228 12.645 -2.788 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -16.423 14.819 -3.289 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -15.237 14.313 -4.393 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -16.882 14.108 -4.761 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.801 11.105 -1.819 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.619 10.568 -1.175 1.00 0.44 C ATOM 2084 C GLN A 131 -10.786 9.080 -0.910 1.00 0.48 C ATOM 2085 O GLN A 131 -11.682 8.663 -0.179 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.373 11.292 0.138 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.209 12.790 -0.045 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.467 13.599 1.208 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -11.357 13.121 2.061 1.00 1.11 O flip ATOM 2090 NE2 GLN A 131 -9.878 14.660 1.399 1.00 1.57 N flip ATOM 0 H GLN A 131 -12.531 11.409 -1.175 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.767 10.715 -1.838 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.205 11.101 0.816 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.478 10.887 0.610 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.197 12.994 -0.394 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -10.889 13.126 -0.828 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -9.198 14.996 0.717 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.069 15.205 2.240 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.928 8.291 -1.503 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.935 6.854 -1.291 1.00 0.50 C ATOM 2101 C TYR A 132 -8.620 6.448 -0.674 1.00 0.44 C ATOM 2102 O TYR A 132 -7.567 6.943 -1.060 1.00 0.51 O ATOM 2103 CB TYR A 132 -10.160 6.088 -2.596 1.00 0.57 C ATOM 2104 CG TYR A 132 -11.438 6.464 -3.311 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -11.475 7.536 -4.195 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -12.611 5.754 -3.088 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -12.647 7.888 -4.838 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -13.786 6.098 -3.729 1.00 1.01 C ATOM 2109 CZ TYR A 132 -13.800 7.166 -4.601 1.00 0.96 C ATOM 2110 OH TYR A 132 -14.970 7.515 -5.235 1.00 1.12 O ATOM 0 H TYR A 132 -9.205 8.617 -2.145 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.760 6.606 -0.624 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -9.316 6.267 -3.262 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -10.175 5.019 -2.381 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -10.575 8.102 -4.382 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -12.605 4.920 -2.402 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -12.661 8.723 -5.522 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -14.689 5.533 -3.548 1.00 1.01 H new ATOM 0 HH TYR A 132 -15.686 6.905 -4.959 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.678 5.563 0.288 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.485 5.164 0.999 1.00 0.30 C ATOM 2122 C PHE A 133 -7.515 3.680 1.289 1.00 0.25 C ATOM 2123 O PHE A 133 -8.551 3.022 1.132 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.338 5.953 2.305 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.310 5.549 3.379 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -9.658 5.845 3.255 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -7.880 4.869 4.502 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -10.556 5.471 4.233 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -8.772 4.491 5.484 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.095 4.813 5.374 1.00 1.95 C ATOM 0 H PHE A 133 -9.535 5.105 0.598 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.625 5.382 0.366 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.323 5.825 2.682 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.468 7.014 2.093 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.010 6.375 2.382 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -6.833 4.630 4.612 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -11.608 5.686 4.117 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -8.423 3.938 6.344 1.00 1.82 H new ATOM 0 HZ PHE A 133 -10.782 4.559 6.168 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.378 3.166 1.703 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.247 1.767 2.036 1.00 0.24 C ATOM 2142 C LYS A 134 -5.159 1.585 3.083 1.00 0.17 C ATOM 2143 O LYS A 134 -4.204 2.361 3.136 1.00 0.20 O ATOM 2144 CB LYS A 134 -5.892 0.949 0.781 1.00 0.38 C ATOM 2145 CG LYS A 134 -4.418 1.019 0.400 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.095 0.126 -0.786 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.606 -0.199 -0.845 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.265 -1.047 -2.025 1.00 1.30 N ATOM 0 H LYS A 134 -5.520 3.706 1.818 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.198 1.413 2.434 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.166 -0.093 0.948 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.492 1.306 -0.056 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.154 2.049 0.161 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -3.808 0.723 1.254 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.669 -0.798 -0.715 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -4.399 0.620 -1.709 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.034 0.728 -0.887 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.311 -0.714 0.069 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.603 -1.795 -1.735 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.132 -1.480 -2.404 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -1.823 -0.458 -2.759 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.304 0.576 3.918 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.213 0.156 4.769 1.00 0.17 C ATOM 2164 C VAL A 135 -3.738 -1.211 4.279 1.00 0.20 C ATOM 2165 O VAL A 135 -4.508 -2.169 4.202 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.590 0.137 6.283 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.465 -1.049 6.668 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.338 0.189 7.147 1.00 0.78 C ATOM 0 H VAL A 135 -6.162 0.035 4.024 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.404 0.883 4.697 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.187 1.030 6.466 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.691 -1.003 7.733 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.393 -1.016 6.098 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.937 -1.977 6.449 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.621 0.175 8.199 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.709 -0.674 6.929 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.785 1.104 6.932 1.00 0.78 H new ATOM 2178 N THR A 136 -2.490 -1.277 3.865 1.00 0.20 N ATOM 2179 CA THR A 136 -1.967 -2.484 3.258 1.00 0.22 C ATOM 2180 C THR A 136 -0.951 -3.148 4.173 1.00 0.24 C ATOM 2181 O THR A 136 -0.232 -2.477 4.919 1.00 0.47 O ATOM 2182 CB THR A 136 -1.335 -2.195 1.878 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.874 -3.405 1.265 1.00 1.41 O ATOM 2184 CG2 THR A 136 -0.188 -1.212 1.989 1.00 0.65 C ATOM 0 H THR A 136 -1.820 -0.511 3.937 1.00 0.20 H new ATOM 0 HA THR A 136 -2.804 -3.166 3.109 1.00 0.22 H new ATOM 0 HB THR A 136 -2.111 -1.752 1.254 1.00 0.43 H new ATOM 0 HG1 THR A 136 -1.372 -4.166 1.629 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.233 -1.031 1.000 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.553 -0.273 2.405 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.582 -1.623 2.642 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.903 -4.464 4.112 1.00 0.18 N ATOM 2193 CA LEU A 137 -0.002 -5.231 4.947 1.00 0.21 C ATOM 2194 C LEU A 137 1.134 -5.786 4.099 1.00 0.17 C ATOM 2195 O LEU A 137 0.916 -6.680 3.275 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.772 -6.373 5.625 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.158 -6.936 6.914 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.155 -7.645 6.634 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.042 -5.825 7.931 1.00 0.68 C ATOM 0 H LEU A 137 -1.482 -5.027 3.488 1.00 0.18 H new ATOM 0 HA LEU A 137 0.419 -4.586 5.718 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.778 -6.020 5.851 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.874 -7.189 4.910 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.851 -7.669 7.326 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.565 -8.033 7.566 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.983 -8.470 5.943 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.861 -6.942 6.192 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.478 -6.238 8.840 1.00 0.68 H new ATOM 0 HD22 LEU A 137 0.711 -5.070 7.518 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.920 -5.368 8.165 1.00 0.68 H new ATOM 2211 N TYR A 138 2.328 -5.239 4.297 1.00 0.18 N ATOM 2212 CA TYR A 138 3.522 -5.728 3.626 1.00 0.26 C ATOM 2213 C TYR A 138 4.386 -6.514 4.600 1.00 0.20 C ATOM 2214 O TYR A 138 4.191 -6.450 5.814 1.00 0.25 O ATOM 2215 CB TYR A 138 4.357 -4.582 3.050 1.00 0.44 C ATOM 2216 CG TYR A 138 3.730 -3.856 1.883 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.412 -4.519 0.708 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.477 -2.499 1.956 1.00 0.54 C ATOM 2219 CE1 TYR A 138 2.852 -3.844 -0.360 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.922 -1.816 0.894 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.611 -2.493 -0.263 1.00 1.94 C ATOM 2222 OH TYR A 138 2.052 -1.816 -1.324 1.00 2.64 O ATOM 0 H TYR A 138 2.493 -4.450 4.922 1.00 0.18 H new ATOM 0 HA TYR A 138 3.192 -6.369 2.808 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.553 -3.861 3.844 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.322 -4.979 2.735 1.00 0.44 H new ATOM 0 HD1 TYR A 138 3.605 -5.579 0.626 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.719 -1.963 2.862 1.00 0.54 H new ATOM 0 HE1 TYR A 138 2.605 -4.375 -1.267 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.732 -0.755 0.970 1.00 1.18 H new ATOM 0 HH TYR A 138 2.006 -0.860 -1.114 1.00 2.64 H new ATOM 2232 N GLY A 139 5.349 -7.236 4.065 1.00 0.28 N ATOM 2233 CA GLY A 139 6.237 -8.020 4.884 1.00 0.29 C ATOM 2234 C GLY A 139 7.579 -8.219 4.225 1.00 0.33 C ATOM 2235 O GLY A 139 7.760 -7.855 3.062 1.00 0.45 O ATOM 0 H GLY A 139 5.533 -7.293 3.063 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.374 -7.527 5.846 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.784 -8.991 5.085 1.00 0.29 H new ATOM 2239 N ARG A 140 8.509 -8.807 4.964 1.00 0.37 N ATOM 2240 CA ARG A 140 9.840 -9.107 4.447 1.00 0.49 C ATOM 2241 C ARG A 140 9.773 -10.024 3.225 1.00 0.38 C ATOM 2242 O ARG A 140 10.528 -9.854 2.271 1.00 0.51 O ATOM 2243 CB ARG A 140 10.691 -9.765 5.537 1.00 0.78 C ATOM 2244 CG ARG A 140 10.017 -10.955 6.201 1.00 1.61 C ATOM 2245 CD ARG A 140 10.976 -11.718 7.096 1.00 1.91 C ATOM 2246 NE ARG A 140 11.996 -12.436 6.332 1.00 2.46 N ATOM 2247 CZ ARG A 140 12.569 -13.563 6.747 1.00 3.13 C ATOM 2248 NH1 ARG A 140 12.218 -14.092 7.910 1.00 3.38 N ATOM 2249 NH2 ARG A 140 13.486 -14.164 5.996 1.00 3.99 N ATOM 0 H ARG A 140 8.365 -9.089 5.934 1.00 0.37 H new ATOM 0 HA ARG A 140 10.297 -8.166 4.142 1.00 0.49 H new ATOM 0 HB2 ARG A 140 11.636 -10.090 5.102 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.929 -9.022 6.298 1.00 0.78 H new ATOM 0 HG2 ARG A 140 9.167 -10.610 6.790 1.00 1.61 H new ATOM 0 HG3 ARG A 140 9.624 -11.624 5.435 1.00 1.61 H new ATOM 0 HD2 ARG A 140 11.461 -11.023 7.781 1.00 1.91 H new ATOM 0 HD3 ARG A 140 10.415 -12.427 7.705 1.00 1.91 H new ATOM 0 HE ARG A 140 12.284 -12.052 5.432 1.00 2.46 H new ATOM 0 HH11 ARG A 140 11.510 -13.635 8.485 1.00 3.38 H new ATOM 0 HH12 ARG A 140 12.656 -14.956 8.230 1.00 3.38 H new ATOM 0 HH21 ARG A 140 13.753 -13.762 5.098 1.00 3.99 H new ATOM 0 HH22 ARG A 140 13.923 -15.028 6.318 1.00 3.99 H new ATOM 2263 N THR A 141 8.862 -10.988 3.266 1.00 0.40 N ATOM 2264 CA THR A 141 8.735 -11.974 2.208 1.00 0.58 C ATOM 2265 C THR A 141 7.514 -12.856 2.479 1.00 0.64 C ATOM 2266 O THR A 141 6.632 -12.458 3.245 1.00 1.14 O ATOM 2267 CB THR A 141 10.023 -12.831 2.097 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.973 -13.656 0.925 1.00 1.13 O ATOM 2269 CG2 THR A 141 10.221 -13.702 3.334 1.00 0.94 C ATOM 0 H THR A 141 8.196 -11.106 4.029 1.00 0.40 H new ATOM 0 HA THR A 141 8.598 -11.461 1.256 1.00 0.58 H new ATOM 0 HB THR A 141 10.869 -12.148 2.022 1.00 0.85 H new ATOM 0 HG1 THR A 141 10.298 -13.147 0.153 1.00 1.13 H new ATOM 0 HG21 THR A 141 11.132 -14.289 3.223 1.00 0.94 H new ATOM 0 HG22 THR A 141 10.303 -13.067 4.216 1.00 0.94 H new ATOM 0 HG23 THR A 141 9.369 -14.372 3.447 1.00 0.94 H new ATOM 2277 N LYS A 142 7.473 -14.049 1.886 1.00 0.79 N ATOM 2278 CA LYS A 142 6.328 -14.960 2.013 1.00 0.87 C ATOM 2279 C LYS A 142 6.215 -15.568 3.424 1.00 0.84 C ATOM 2280 O LYS A 142 5.659 -16.656 3.590 1.00 1.09 O ATOM 2281 CB LYS A 142 6.443 -16.106 0.995 1.00 1.02 C ATOM 2282 CG LYS A 142 6.655 -15.671 -0.451 1.00 1.17 C ATOM 2283 CD LYS A 142 5.492 -14.847 -0.979 1.00 0.84 C ATOM 2284 CE LYS A 142 5.623 -14.573 -2.473 1.00 0.85 C ATOM 2285 NZ LYS A 142 6.964 -14.038 -2.824 1.00 1.57 N ATOM 0 H LYS A 142 8.228 -14.413 1.305 1.00 0.79 H new ATOM 0 HA LYS A 142 5.435 -14.365 1.822 1.00 0.87 H new ATOM 0 HB2 LYS A 142 7.272 -16.750 1.289 1.00 1.02 H new ATOM 0 HB3 LYS A 142 5.537 -16.709 1.047 1.00 1.02 H new ATOM 0 HG2 LYS A 142 7.573 -15.088 -0.522 1.00 1.17 H new ATOM 0 HG3 LYS A 142 6.788 -16.553 -1.078 1.00 1.17 H new ATOM 0 HD2 LYS A 142 4.557 -15.373 -0.787 1.00 0.84 H new ATOM 0 HD3 LYS A 142 5.442 -13.901 -0.439 1.00 0.84 H new ATOM 0 HE2 LYS A 142 5.443 -15.494 -3.028 1.00 0.85 H new ATOM 0 HE3 LYS A 142 4.857 -13.861 -2.780 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 6.868 -13.325 -3.575 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 7.394 -13.600 -1.984 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 7.571 -14.814 -3.159 1.00 1.57 H new ATOM 2299 N GLY A 143 6.717 -14.872 4.437 1.00 0.67 N ATOM 2300 CA GLY A 143 6.725 -15.421 5.778 1.00 0.70 C ATOM 2301 C GLY A 143 6.182 -14.461 6.820 1.00 0.62 C ATOM 2302 O GLY A 143 6.932 -13.961 7.656 1.00 0.74 O ATOM 0 H GLY A 143 7.118 -13.938 4.353 1.00 0.67 H new ATOM 0 HA2 GLY A 143 6.133 -16.336 5.793 1.00 0.70 H new ATOM 0 HA3 GLY A 143 7.745 -15.697 6.044 1.00 0.70 H new ATOM 2306 N LEU A 144 4.880 -14.196 6.756 1.00 0.52 N ATOM 2307 CA LEU A 144 4.198 -13.386 7.765 1.00 0.46 C ATOM 2308 C LEU A 144 3.006 -14.155 8.322 1.00 0.48 C ATOM 2309 O LEU A 144 2.276 -14.807 7.573 1.00 0.53 O ATOM 2310 CB LEU A 144 3.716 -12.051 7.187 1.00 0.43 C ATOM 2311 CG LEU A 144 4.808 -11.074 6.743 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.212 -9.694 6.553 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.946 -11.016 7.751 1.00 0.56 C ATOM 0 H LEU A 144 4.271 -14.533 6.010 1.00 0.52 H new ATOM 0 HA LEU A 144 4.913 -13.174 8.560 1.00 0.46 H new ATOM 0 HB2 LEU A 144 3.074 -12.260 6.331 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.098 -11.556 7.936 1.00 0.43 H new ATOM 0 HG LEU A 144 5.218 -11.429 5.798 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.992 -9.001 6.237 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.433 -9.736 5.791 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.781 -9.351 7.494 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.704 -10.313 7.404 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.561 -10.688 8.716 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.390 -12.006 7.856 1.00 0.56 H new ATOM 2325 N SER A 145 2.823 -14.079 9.632 1.00 0.51 N ATOM 2326 CA SER A 145 1.738 -14.777 10.309 1.00 0.56 C ATOM 2327 C SER A 145 0.411 -14.036 10.128 1.00 0.50 C ATOM 2328 O SER A 145 0.386 -12.868 9.739 1.00 0.49 O ATOM 2329 CB SER A 145 2.075 -14.907 11.799 1.00 0.65 C ATOM 2330 OG SER A 145 1.038 -15.552 12.517 1.00 1.43 O ATOM 0 H SER A 145 3.420 -13.534 10.254 1.00 0.51 H new ATOM 0 HA SER A 145 1.628 -15.769 9.870 1.00 0.56 H new ATOM 0 HB2 SER A 145 3.002 -15.469 11.915 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.248 -13.917 12.221 1.00 0.65 H new ATOM 0 HG SER A 145 1.287 -15.619 13.462 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.692 -14.718 10.418 1.00 0.53 N ATOM 2337 CA ASP A 146 -2.015 -14.104 10.344 1.00 0.51 C ATOM 2338 C ASP A 146 -2.173 -13.049 11.424 1.00 0.48 C ATOM 2339 O ASP A 146 -2.945 -12.104 11.269 1.00 0.46 O ATOM 2340 CB ASP A 146 -3.123 -15.149 10.493 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.193 -16.108 9.323 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.868 -15.790 8.324 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -2.575 -17.190 9.400 1.00 2.08 O ATOM 0 H ASP A 146 -0.697 -15.696 10.707 1.00 0.53 H new ATOM 0 HA ASP A 146 -2.104 -13.638 9.363 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.960 -15.715 11.410 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -4.082 -14.641 10.598 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.423 -13.214 12.509 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.473 -12.299 13.644 1.00 0.53 C ATOM 2350 C GLU A 147 -1.192 -10.861 13.207 1.00 0.45 C ATOM 2351 O GLU A 147 -1.923 -9.937 13.566 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.448 -12.732 14.692 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.507 -11.937 15.983 1.00 0.72 C ATOM 2354 CD GLU A 147 0.603 -12.314 16.940 1.00 1.25 C ATOM 2355 OE1 GLU A 147 0.490 -13.359 17.616 1.00 1.48 O ATOM 2356 OE2 GLU A 147 1.601 -11.571 17.016 1.00 1.99 O ATOM 0 H GLU A 147 -0.765 -13.984 12.626 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.475 -12.333 14.071 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.601 -13.787 14.920 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.551 -12.640 14.267 1.00 0.62 H new ATOM 0 HG2 GLU A 147 -0.442 -10.873 15.755 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.471 -12.101 16.465 1.00 0.72 H new ATOM 2363 N LEU A 148 -0.142 -10.680 12.417 1.00 0.41 N ATOM 2364 CA LEU A 148 0.247 -9.350 11.964 1.00 0.37 C ATOM 2365 C LEU A 148 -0.759 -8.797 10.951 1.00 0.31 C ATOM 2366 O LEU A 148 -0.976 -7.587 10.872 1.00 0.29 O ATOM 2367 CB LEU A 148 1.687 -9.364 11.417 1.00 0.37 C ATOM 2368 CG LEU A 148 2.025 -10.428 10.365 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.548 -10.004 8.988 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.523 -10.688 10.333 1.00 0.38 C ATOM 0 H LEU A 148 0.454 -11.434 12.077 1.00 0.41 H new ATOM 0 HA LEU A 148 0.234 -8.673 12.818 1.00 0.37 H new ATOM 0 HB2 LEU A 148 1.895 -8.385 10.986 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.367 -9.493 12.259 1.00 0.37 H new ATOM 0 HG LEU A 148 1.509 -11.347 10.643 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.801 -10.776 8.262 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.468 -9.861 9.005 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.033 -9.069 8.707 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.745 -11.445 9.581 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.047 -9.765 10.084 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.852 -11.040 11.311 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.397 -9.687 10.199 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.428 -9.269 9.257 1.00 0.29 C ATOM 2384 C LYS A 149 -3.672 -8.822 10.012 1.00 0.29 C ATOM 2385 O LYS A 149 -4.258 -7.791 9.713 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.809 -10.400 8.298 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.669 -10.901 7.429 1.00 0.78 C ATOM 2388 CD LYS A 149 -2.151 -11.965 6.457 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.763 -13.153 7.181 1.00 0.83 C ATOM 2390 NZ LYS A 149 -3.218 -14.218 6.247 1.00 1.22 N ATOM 0 H LYS A 149 -1.221 -10.691 10.222 1.00 0.31 H new ATOM 0 HA LYS A 149 -2.023 -8.442 8.674 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -3.200 -11.235 8.879 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.617 -10.055 7.652 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.236 -10.068 6.876 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.879 -11.310 8.059 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.888 -11.532 5.780 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -1.315 -12.303 5.844 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -2.030 -13.569 7.872 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.609 -12.813 7.779 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -3.405 -15.091 6.780 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -4.089 -13.912 5.769 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -2.479 -14.397 5.538 1.00 1.22 H new ATOM 2404 N GLU A 150 -4.069 -9.603 11.001 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.215 -9.257 11.827 1.00 0.35 C ATOM 2406 C GLU A 150 -4.987 -7.897 12.478 1.00 0.34 C ATOM 2407 O GLU A 150 -5.920 -7.119 12.672 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.443 -10.342 12.882 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.658 -10.108 13.764 1.00 1.02 C ATOM 2410 CD GLU A 150 -6.960 -11.296 14.650 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -6.431 -11.345 15.782 1.00 2.00 O ATOM 2412 OE2 GLU A 150 -7.734 -12.179 14.230 1.00 1.83 O ATOM 0 H GLU A 150 -3.616 -10.481 11.253 1.00 0.33 H new ATOM 0 HA GLU A 150 -6.108 -9.195 11.206 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.552 -11.304 12.380 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.557 -10.411 13.514 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.490 -9.228 14.385 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -7.524 -9.895 13.137 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.736 -7.620 12.804 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.356 -6.322 13.331 1.00 0.35 C ATOM 2421 C ARG A 151 -3.676 -5.206 12.327 1.00 0.30 C ATOM 2422 O ARG A 151 -4.191 -4.156 12.712 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.871 -6.321 13.690 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.380 -5.017 14.291 1.00 1.21 C ATOM 2425 CD ARG A 151 0.034 -5.166 14.818 1.00 1.20 C ATOM 2426 NE ARG A 151 0.594 -3.892 15.272 1.00 1.71 N ATOM 2427 CZ ARG A 151 1.864 -3.730 15.648 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.685 -4.772 15.680 1.00 1.74 N ATOM 2429 NH2 ARG A 151 2.306 -2.532 16.012 1.00 2.88 N ATOM 0 H ARG A 151 -2.964 -8.280 12.712 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.935 -6.130 14.234 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.678 -7.129 14.396 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.291 -6.536 12.793 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.411 -4.230 13.538 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -2.044 -4.711 15.100 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.039 -5.877 15.644 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.669 -5.582 14.036 1.00 1.20 H new ATOM 0 HE ARG A 151 -0.023 -3.080 15.303 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.345 -5.697 15.417 1.00 1.74 H new ATOM 0 HH12 ARG A 151 3.656 -4.648 15.967 1.00 1.74 H new ATOM 0 HH21 ARG A 151 1.674 -1.731 16.005 1.00 2.88 H new ATOM 0 HH22 ARG A 151 3.278 -2.412 16.299 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.396 -5.434 11.038 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.701 -4.418 10.025 1.00 0.27 C ATOM 2445 C PHE A 152 -5.209 -4.271 9.850 1.00 0.23 C ATOM 2446 O PHE A 152 -5.706 -3.158 9.720 1.00 0.24 O ATOM 2447 CB PHE A 152 -3.012 -4.701 8.663 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.882 -5.355 7.606 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.897 -4.648 6.972 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.686 -6.679 7.257 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.695 -5.252 6.024 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.480 -7.287 6.306 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.487 -6.574 5.692 1.00 0.21 C ATOM 0 H PHE A 152 -2.970 -6.289 10.679 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.293 -3.475 10.390 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.636 -3.759 8.265 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.147 -5.340 8.841 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -5.063 -3.611 7.226 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.900 -7.245 7.736 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.482 -4.691 5.542 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.312 -8.321 6.043 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.113 -7.050 4.952 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.945 -5.388 9.841 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.394 -5.325 9.655 1.00 0.22 C ATOM 2465 C VAL A 153 -8.012 -4.564 10.821 1.00 0.25 C ATOM 2466 O VAL A 153 -8.989 -3.833 10.657 1.00 0.28 O ATOM 2467 CB VAL A 153 -8.060 -6.727 9.510 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.239 -7.635 8.610 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.296 -7.396 10.853 1.00 0.28 C ATOM 0 H VAL A 153 -5.568 -6.328 9.958 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.580 -4.805 8.715 1.00 0.22 H new ATOM 0 HB VAL A 153 -9.033 -6.561 9.049 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.729 -8.605 8.528 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.155 -7.186 7.620 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.244 -7.765 9.035 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.762 -8.369 10.698 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.344 -7.527 11.367 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.953 -6.772 11.460 1.00 0.28 H new ATOM 2479 N SER A 154 -7.419 -4.733 11.996 1.00 0.28 N ATOM 2480 CA SER A 154 -7.831 -4.005 13.176 1.00 0.33 C ATOM 2481 C SER A 154 -7.571 -2.515 12.968 1.00 0.32 C ATOM 2482 O SER A 154 -8.446 -1.682 13.211 1.00 0.35 O ATOM 2483 CB SER A 154 -7.067 -4.524 14.398 1.00 0.38 C ATOM 2484 OG SER A 154 -7.700 -4.151 15.608 1.00 1.05 O ATOM 0 H SER A 154 -6.643 -5.377 12.151 1.00 0.28 H new ATOM 0 HA SER A 154 -8.897 -4.154 13.348 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.992 -5.610 14.346 1.00 0.38 H new ATOM 0 HB3 SER A 154 -6.049 -4.133 14.384 1.00 0.38 H new ATOM 0 HG SER A 154 -7.187 -4.500 16.367 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.372 -2.193 12.482 1.00 0.29 N ATOM 2491 CA PHE A 155 -6.010 -0.813 12.185 1.00 0.29 C ATOM 2492 C PHE A 155 -6.909 -0.253 11.088 1.00 0.28 C ATOM 2493 O PHE A 155 -7.232 0.928 11.096 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.536 -0.709 11.768 1.00 0.29 C ATOM 2495 CG PHE A 155 -4.081 0.703 11.517 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.877 1.574 12.575 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.871 1.166 10.226 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -3.470 2.875 12.352 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.466 2.466 9.998 1.00 0.30 C ATOM 2500 CZ PHE A 155 -3.266 3.321 11.062 1.00 0.39 C ATOM 0 H PHE A 155 -5.636 -2.872 12.287 1.00 0.29 H new ATOM 0 HA PHE A 155 -6.150 -0.224 13.091 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.914 -1.149 12.547 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.380 -1.299 10.865 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -4.038 1.232 13.586 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -4.026 0.501 9.389 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -3.312 3.542 13.186 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -3.306 2.813 8.988 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.950 4.339 10.886 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.322 -1.115 10.158 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.223 -0.718 9.081 1.00 0.25 C ATOM 2512 C ALA A 156 -9.475 -0.073 9.659 1.00 0.28 C ATOM 2513 O ALA A 156 -9.877 1.020 9.255 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.624 -1.923 8.226 1.00 0.25 C ATOM 0 H ALA A 156 -7.044 -2.096 10.131 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.697 -0.002 8.450 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.295 -1.598 7.431 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.732 -2.371 7.787 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.130 -2.660 8.850 1.00 0.25 H new ATOM 2520 N LYS A 157 -10.066 -0.750 10.633 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.310 -0.302 11.243 1.00 0.39 C ATOM 2522 C LYS A 157 -11.073 0.842 12.220 1.00 0.41 C ATOM 2523 O LYS A 157 -11.882 1.765 12.318 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.991 -1.480 11.938 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.359 -2.594 10.974 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.874 -3.946 11.462 1.00 0.70 C ATOM 2527 CE LYS A 157 -12.080 -5.011 10.400 1.00 0.55 C ATOM 2528 NZ LYS A 157 -11.709 -6.371 10.883 1.00 0.75 N ATOM 0 H LYS A 157 -9.700 -1.620 11.021 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.964 0.078 10.458 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -11.328 -1.875 12.708 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.891 -1.129 12.442 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.441 -2.621 10.846 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -11.927 -2.385 9.995 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -10.817 -3.886 11.722 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -12.410 -4.223 12.370 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -13.124 -5.011 10.087 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -11.484 -4.765 9.521 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.316 -7.080 10.424 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -10.714 -6.563 10.649 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -11.838 -6.420 11.914 1.00 0.75 H new ATOM 2542 N SER A 158 -9.948 0.799 12.922 1.00 0.48 N ATOM 2543 CA SER A 158 -9.602 1.847 13.877 1.00 0.58 C ATOM 2544 C SER A 158 -9.099 3.102 13.160 1.00 0.49 C ATOM 2545 O SER A 158 -8.874 4.143 13.782 1.00 0.55 O ATOM 2546 CB SER A 158 -8.550 1.328 14.857 1.00 0.81 C ATOM 2547 OG SER A 158 -9.027 0.176 15.533 1.00 1.39 O ATOM 0 H SER A 158 -9.259 0.051 12.849 1.00 0.48 H new ATOM 0 HA SER A 158 -10.500 2.120 14.432 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.632 1.088 14.321 1.00 0.81 H new ATOM 0 HB3 SER A 158 -8.303 2.105 15.580 1.00 0.81 H new ATOM 0 HG SER A 158 -8.940 -0.606 14.949 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.918 2.988 11.855 1.00 0.43 N ATOM 2554 CA LEU A 159 -8.543 4.122 11.027 1.00 0.46 C ATOM 2555 C LEU A 159 -9.787 4.732 10.386 1.00 0.38 C ATOM 2556 O LEU A 159 -9.795 5.906 10.019 1.00 0.55 O ATOM 2557 CB LEU A 159 -7.540 3.675 9.958 1.00 0.61 C ATOM 2558 CG LEU A 159 -7.012 4.763 9.017 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.168 5.792 9.772 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.204 4.118 7.903 1.00 0.76 C ATOM 0 H LEU A 159 -9.026 2.113 11.342 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.069 4.883 11.647 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -6.688 3.216 10.460 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.009 2.899 9.353 1.00 0.61 H new ATOM 0 HG LEU A 159 -7.861 5.294 8.586 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.809 6.550 9.075 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.776 6.266 10.542 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -5.317 5.294 10.237 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.828 4.890 7.232 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -5.365 3.570 8.332 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.839 3.430 7.344 1.00 0.76 H new ATOM 2572 N GLY A 160 -10.845 3.931 10.265 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.101 4.438 9.743 1.00 0.41 C ATOM 2574 C GLY A 160 -12.846 3.427 8.890 1.00 0.35 C ATOM 2575 O GLY A 160 -14.070 3.483 8.775 1.00 0.42 O ATOM 0 H GLY A 160 -10.853 2.943 10.519 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -12.737 4.741 10.575 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -11.906 5.331 9.149 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.117 2.493 8.301 1.00 0.38 N ATOM 2580 CA LEU A 161 -12.704 1.524 7.383 1.00 0.35 C ATOM 2581 C LEU A 161 -13.387 0.380 8.128 1.00 0.37 C ATOM 2582 O LEU A 161 -13.535 0.411 9.347 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.622 0.975 6.458 1.00 0.32 C ATOM 2584 CG LEU A 161 -11.721 1.415 4.997 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.323 1.577 4.425 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.513 0.390 4.186 1.00 0.35 C ATOM 0 H LEU A 161 -11.113 2.383 8.442 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.467 2.035 6.796 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.649 1.278 6.845 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.655 -0.114 6.495 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.244 2.370 4.943 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.390 1.891 3.383 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -9.781 2.330 4.997 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -9.793 0.626 4.484 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.575 0.717 3.148 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.012 -0.577 4.233 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.518 0.298 4.598 1.00 0.35 H new ATOM 2598 N LYS A 162 -13.806 -0.627 7.373 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.575 -1.737 7.916 1.00 0.42 C ATOM 2600 C LYS A 162 -14.212 -3.030 7.205 1.00 0.36 C ATOM 2601 O LYS A 162 -13.849 -3.025 6.029 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.086 -1.456 7.801 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.632 -1.328 6.374 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.071 -0.119 5.627 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.289 1.181 6.387 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.724 1.572 6.464 1.00 1.46 N ATOM 0 H LYS A 162 -13.623 -0.697 6.372 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.329 -1.846 8.972 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.625 -2.257 8.306 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.307 -0.534 8.339 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -16.395 -2.235 5.817 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.719 -1.253 6.412 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -15.004 -0.263 5.456 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -16.544 -0.048 4.647 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -15.891 1.077 7.396 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -15.726 1.978 5.903 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.813 2.464 6.992 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.101 1.699 5.503 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -18.261 0.826 6.951 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.294 -4.126 7.967 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.916 -5.478 7.529 1.00 0.41 C ATOM 2622 C ASP A 163 -14.535 -5.856 6.192 1.00 0.39 C ATOM 2623 O ASP A 163 -14.002 -6.690 5.459 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.368 -6.486 8.585 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.755 -7.857 8.405 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.644 -8.076 8.930 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.395 -8.723 7.772 1.00 1.81 O ATOM 0 H ASP A 163 -14.633 -4.099 8.929 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.833 -5.491 7.405 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.109 -6.107 9.574 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.454 -6.574 8.552 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.651 -5.222 5.878 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.388 -5.520 4.659 1.00 0.43 C ATOM 2634 C ASN A 164 -15.575 -5.116 3.431 1.00 0.38 C ATOM 2635 O ASN A 164 -15.769 -5.652 2.344 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.734 -4.796 4.672 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.663 -5.240 3.556 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.595 -6.511 3.186 1.00 2.34 O flip ATOM 2639 ND2 ASN A 164 -19.453 -4.447 3.047 1.00 1.68 N flip ATOM 0 H ASN A 164 -16.070 -4.492 6.454 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.568 -6.594 4.611 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -18.222 -4.967 5.632 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -17.563 -3.723 4.588 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -19.474 -3.476 3.360 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -20.087 -4.760 2.312 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.645 -4.185 3.621 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.778 -3.735 2.538 1.00 0.31 C ATOM 2648 C ASN A 165 -12.322 -4.073 2.843 1.00 0.26 C ATOM 2649 O ASN A 165 -11.410 -3.324 2.498 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.928 -2.226 2.292 1.00 0.35 C ATOM 2651 CG ASN A 165 -15.326 -1.836 1.849 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -16.196 -1.545 2.672 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -15.546 -1.810 0.544 1.00 0.61 N ATOM 0 H ASN A 165 -14.473 -3.727 4.516 1.00 0.32 H new ATOM 0 HA ASN A 165 -14.082 -4.259 1.632 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.679 -1.687 3.206 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -13.211 -1.914 1.532 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -16.463 -1.542 0.187 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.799 -2.058 -0.104 1.00 0.61 H new ATOM 2660 N ILE A 166 -12.104 -5.197 3.515 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.751 -5.658 3.812 1.00 0.22 C ATOM 2662 C ILE A 166 -10.546 -7.079 3.303 1.00 0.24 C ATOM 2663 O ILE A 166 -11.379 -7.950 3.548 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.464 -5.626 5.331 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.846 -4.268 5.919 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.996 -5.941 5.603 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.728 -4.204 7.422 1.00 0.26 C ATOM 0 H ILE A 166 -12.844 -5.806 3.864 1.00 0.25 H new ATOM 0 HA ILE A 166 -10.062 -4.981 3.307 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.072 -6.390 5.815 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.209 -3.500 5.480 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.871 -4.034 5.633 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.811 -5.914 6.677 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.759 -6.933 5.219 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.367 -5.201 5.108 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -11.015 -3.211 7.768 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.386 -4.949 7.871 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.698 -4.406 7.715 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.450 -7.309 2.587 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.137 -8.637 2.076 1.00 0.26 C ATOM 2681 C VAL A 167 -7.723 -9.042 2.484 1.00 0.26 C ATOM 2682 O VAL A 167 -6.938 -8.229 2.974 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.287 -8.743 0.520 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.140 -7.624 -0.048 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.938 -8.796 -0.208 1.00 0.72 C ATOM 0 H VAL A 167 -8.764 -6.593 2.348 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.863 -9.319 2.518 1.00 0.26 H new ATOM 0 HB VAL A 167 -9.795 -9.691 0.343 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.217 -7.738 -1.129 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.136 -7.666 0.393 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -9.681 -6.663 0.184 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.107 -8.869 -1.282 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -7.371 -7.891 0.009 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.376 -9.666 0.131 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.417 -10.304 2.286 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.087 -10.820 2.517 1.00 0.28 C ATOM 2697 C PHE A 168 -5.492 -11.198 1.175 1.00 0.30 C ATOM 2698 O PHE A 168 -6.096 -11.965 0.424 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.126 -12.024 3.461 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.665 -11.692 4.824 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -5.902 -10.968 5.727 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -7.933 -12.103 5.201 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.397 -10.660 6.981 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.432 -11.800 6.452 1.00 0.45 C ATOM 2705 CZ PHE A 168 -7.663 -11.077 7.344 1.00 0.40 C ATOM 0 H PHE A 168 -8.084 -11.003 1.960 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.468 -10.061 2.996 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.740 -12.807 3.016 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.119 -12.429 3.564 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -4.911 -10.641 5.448 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.539 -12.668 4.508 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -5.794 -10.094 7.676 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.422 -12.128 6.733 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.051 -10.838 8.323 1.00 0.40 H new ATOM 2715 N SER A 169 -4.333 -10.630 0.875 1.00 0.48 N ATOM 2716 CA SER A 169 -3.719 -10.743 -0.440 1.00 0.63 C ATOM 2717 C SER A 169 -3.686 -12.182 -0.937 1.00 0.50 C ATOM 2718 O SER A 169 -3.176 -13.078 -0.263 1.00 0.66 O ATOM 2719 CB SER A 169 -2.310 -10.162 -0.394 1.00 1.01 C ATOM 2720 OG SER A 169 -2.339 -8.824 0.068 1.00 1.75 O ATOM 0 H SER A 169 -3.791 -10.076 1.538 1.00 0.48 H new ATOM 0 HA SER A 169 -4.328 -10.178 -1.146 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.683 -10.766 0.262 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.862 -10.200 -1.387 1.00 1.01 H new ATOM 0 HG SER A 169 -3.260 -8.489 0.044 1.00 1.75 H new ATOM 2726 N VAL A 170 -4.255 -12.386 -2.112 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.306 -13.695 -2.734 1.00 0.41 C ATOM 2728 C VAL A 170 -3.029 -13.984 -3.504 1.00 0.41 C ATOM 2729 O VAL A 170 -2.587 -13.170 -4.319 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.508 -13.793 -3.691 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.498 -15.097 -4.473 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.796 -13.632 -2.914 1.00 0.57 C ATOM 0 H VAL A 170 -4.695 -11.647 -2.661 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.414 -14.432 -1.939 1.00 0.41 H new ATOM 0 HB VAL A 170 -5.433 -12.986 -4.420 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -6.361 -15.129 -5.137 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.584 -15.161 -5.063 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.542 -15.937 -3.780 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.643 -13.702 -3.596 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.869 -14.419 -2.163 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.805 -12.659 -2.423 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.400 -15.127 -3.217 1.00 0.47 N ATOM 2743 CA PRO A 171 -1.291 -15.637 -4.014 1.00 0.54 C ATOM 2744 C PRO A 171 -1.761 -16.010 -5.414 1.00 0.54 C ATOM 2745 O PRO A 171 -2.138 -17.155 -5.667 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.822 -16.886 -3.254 1.00 0.66 C ATOM 2747 CG PRO A 171 -1.449 -16.794 -1.902 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.711 -16.001 -2.078 1.00 0.57 C ATOM 0 HA PRO A 171 -0.497 -14.901 -4.141 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -1.131 -17.796 -3.768 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.265 -16.915 -3.181 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -1.665 -17.786 -1.505 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.778 -16.306 -1.194 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.566 -16.645 -2.286 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.954 -15.427 -1.184 1.00 0.57 H new ATOM 2756 N THR A 172 -1.764 -15.032 -6.310 1.00 0.65 N ATOM 2757 CA THR A 172 -2.218 -15.250 -7.672 1.00 0.78 C ATOM 2758 C THR A 172 -1.254 -16.180 -8.394 1.00 0.73 C ATOM 2759 O THR A 172 -0.089 -16.314 -8.000 1.00 0.72 O ATOM 2760 CB THR A 172 -2.344 -13.918 -8.449 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.852 -14.156 -9.770 1.00 1.78 O ATOM 2762 CG2 THR A 172 -1.004 -13.201 -8.539 1.00 0.81 C ATOM 0 H THR A 172 -1.456 -14.079 -6.115 1.00 0.65 H new ATOM 0 HA THR A 172 -3.207 -15.707 -7.628 1.00 0.78 H new ATOM 0 HB THR A 172 -3.040 -13.282 -7.902 1.00 1.07 H new ATOM 0 HG1 THR A 172 -2.928 -13.305 -10.249 1.00 1.78 H new ATOM 0 HG21 THR A 172 -1.126 -12.269 -9.091 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.640 -12.983 -7.535 1.00 0.81 H new ATOM 0 HG23 THR A 172 -0.285 -13.837 -9.056 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.733 -16.830 -9.439 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.910 -17.780 -10.161 1.00 0.80 C ATOM 2772 C ASP A 173 -0.072 -17.038 -11.187 1.00 0.77 C ATOM 2773 O ASP A 173 -0.459 -16.900 -12.346 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.776 -18.843 -10.839 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.954 -19.950 -11.474 1.00 1.34 C ATOM 2776 OD1 ASP A 173 -0.393 -20.783 -10.732 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -0.857 -19.987 -12.719 1.00 1.55 O ATOM 0 H ASP A 173 -2.679 -16.719 -9.803 1.00 0.75 H new ATOM 0 HA ASP A 173 -0.251 -18.289 -9.458 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -2.455 -19.276 -10.104 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -2.393 -18.370 -11.603 1.00 0.99 H new ATOM 2782 N GLN A 174 1.067 -16.555 -10.717 1.00 0.78 N ATOM 2783 CA GLN A 174 2.039 -15.818 -11.514 1.00 0.94 C ATOM 2784 C GLN A 174 3.331 -15.714 -10.720 1.00 0.89 C ATOM 2785 O GLN A 174 3.369 -16.100 -9.551 1.00 1.21 O ATOM 2786 CB GLN A 174 1.556 -14.395 -11.857 1.00 1.17 C ATOM 2787 CG GLN A 174 0.683 -14.279 -13.099 1.00 1.69 C ATOM 2788 CD GLN A 174 1.155 -15.146 -14.257 1.00 2.98 C ATOM 2789 OE1 GLN A 174 2.346 -15.409 -14.408 1.00 3.60 O ATOM 2790 NE2 GLN A 174 0.227 -15.581 -15.094 1.00 3.76 N ATOM 0 H GLN A 174 1.350 -16.667 -9.744 1.00 0.78 H new ATOM 0 HA GLN A 174 2.183 -16.356 -12.451 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.999 -14.004 -11.005 1.00 1.17 H new ATOM 0 HB3 GLN A 174 2.429 -13.756 -11.987 1.00 1.17 H new ATOM 0 HG2 GLN A 174 -0.339 -14.556 -12.842 1.00 1.69 H new ATOM 0 HG3 GLN A 174 0.660 -13.238 -13.421 1.00 1.69 H new ATOM 0 HE21 GLN A 174 -0.753 -15.343 -14.938 1.00 3.76 H new ATOM 0 HE22 GLN A 174 0.491 -16.154 -15.895 1.00 3.76 H new ATOM 2799 N CYS A 175 4.378 -15.194 -11.337 1.00 0.79 N ATOM 2800 CA CYS A 175 5.615 -14.934 -10.621 1.00 0.85 C ATOM 2801 C CYS A 175 5.445 -13.716 -9.726 1.00 1.02 C ATOM 2802 O CYS A 175 4.798 -12.739 -10.104 1.00 2.06 O ATOM 2803 CB CYS A 175 6.799 -14.737 -11.579 1.00 0.90 C ATOM 2804 SG CYS A 175 6.633 -13.364 -12.772 1.00 1.07 S ATOM 0 H CYS A 175 4.397 -14.945 -12.326 1.00 0.79 H new ATOM 0 HA CYS A 175 5.839 -15.806 -10.007 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.699 -14.572 -10.986 1.00 0.90 H new ATOM 0 HB3 CYS A 175 6.950 -15.662 -12.136 1.00 0.90 H new ATOM 2809 N ILE A 176 5.997 -13.799 -8.530 1.00 0.60 N ATOM 2810 CA ILE A 176 5.916 -12.725 -7.553 1.00 0.56 C ATOM 2811 C ILE A 176 6.922 -13.029 -6.439 1.00 0.80 C ATOM 2812 O ILE A 176 6.660 -12.901 -5.245 1.00 1.52 O ATOM 2813 CB ILE A 176 4.453 -12.586 -7.029 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.256 -11.298 -6.205 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.023 -13.826 -6.249 1.00 0.81 C ATOM 2816 CD1 ILE A 176 4.278 -11.480 -4.687 1.00 0.65 C ATOM 0 H ILE A 176 6.516 -14.615 -8.206 1.00 0.60 H new ATOM 0 HA ILE A 176 6.171 -11.763 -7.997 1.00 0.56 H new ATOM 0 HB ILE A 176 3.804 -12.505 -7.901 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.036 -10.588 -6.480 1.00 0.46 H new ATOM 0 HG13 ILE A 176 3.303 -10.849 -6.486 1.00 0.46 H new ATOM 0 HG21 ILE A 176 2.999 -13.698 -5.897 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.077 -14.701 -6.897 1.00 0.81 H new ATOM 0 HG23 ILE A 176 4.685 -13.966 -5.395 1.00 0.81 H new ATOM 0 HD11 ILE A 176 4.131 -10.515 -4.203 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.480 -12.160 -4.390 1.00 0.65 H new ATOM 0 HD13 ILE A 176 5.239 -11.895 -4.384 1.00 0.65 H new ATOM 2828 N ASP A 177 8.099 -13.445 -6.861 1.00 0.96 N ATOM 2829 CA ASP A 177 9.103 -13.942 -5.941 1.00 1.17 C ATOM 2830 C ASP A 177 9.922 -12.800 -5.354 1.00 1.20 C ATOM 2831 O ASP A 177 10.357 -11.898 -6.070 1.00 1.77 O ATOM 2832 CB ASP A 177 10.009 -14.940 -6.656 1.00 1.56 C ATOM 2833 CG ASP A 177 10.778 -15.815 -5.691 1.00 2.20 C ATOM 2834 OD1 ASP A 177 10.149 -16.427 -4.804 1.00 2.72 O ATOM 2835 OD2 ASP A 177 12.019 -15.882 -5.811 1.00 2.64 O ATOM 0 H ASP A 177 8.385 -13.449 -7.840 1.00 0.96 H new ATOM 0 HA ASP A 177 8.599 -14.446 -5.116 1.00 1.17 H new ATOM 0 HB2 ASP A 177 9.406 -15.569 -7.311 1.00 1.56 H new ATOM 0 HB3 ASP A 177 10.711 -14.399 -7.291 1.00 1.56 H new ATOM 2840 N ASN A 178 10.100 -12.840 -4.043 1.00 1.25 N ATOM 2841 CA ASN A 178 10.884 -11.842 -3.329 1.00 1.44 C ATOM 2842 C ASN A 178 11.663 -12.523 -2.207 1.00 1.68 C ATOM 2843 O ASN A 178 11.234 -12.456 -1.040 1.00 2.24 O ATOM 2844 CB ASN A 178 9.994 -10.709 -2.773 1.00 1.56 C ATOM 2845 CG ASN A 178 8.649 -11.196 -2.241 1.00 2.49 C ATOM 2846 OD1 ASN A 178 8.538 -11.690 -1.122 1.00 3.26 O ATOM 2847 ND2 ASN A 178 7.603 -11.030 -3.033 1.00 3.01 N ATOM 2848 OXT ASN A 178 12.680 -13.179 -2.514 1.00 1.94 O ATOM 0 H ASN A 178 9.706 -13.565 -3.443 1.00 1.25 H new ATOM 0 HA ASN A 178 11.582 -11.382 -4.028 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.529 -10.198 -1.973 1.00 1.56 H new ATOM 0 HB3 ASN A 178 9.820 -9.975 -3.560 1.00 1.56 H new ATOM 0 HD21 ASN A 178 6.675 -11.315 -2.719 1.00 3.01 H new ATOM 0 HD22 ASN A 178 7.724 -10.617 -3.958 1.00 3.01 H new TER 2855 ASN A 178