USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=47 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 54 THR OG1 : rot 163:sc= 0.937 USER MOD Set 1.2: A 138 TYR OH : rot 175:sc= 0.533 USER MOD Set 2.1: A 105 SER OG : rot 180:sc= 0.97 USER MOD Set 2.2: A 126 THR OG1 : rot 128:sc= 1.15 USER MOD Set 3.1: A 96 ASN : amide:sc= -0.416 K(o=0.44,f=-5.6!) USER MOD Set 3.2: A 99 SER OG : rot -72:sc= 0.858 USER MOD Set 4.1: A 86 SER OG : rot -144:sc= 0.305 USER MOD Set 4.2: A 91 GLN : amide:sc= 0.477 K(o=0.78,f=-11!) USER MOD Set 5.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 178 ASN :FLIP amide:sc= -0.379 F(o=-2.5!,f=-0.38) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -165:sc= -0.0249 (180deg=-0.383) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -37:sc= 0.709 USER MOD Single : A 5 GLN : amide:sc= -0.0054 K(o=-0.0054,f=-0.96) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 78:sc= -1.52! USER MOD Single : A 19 GLN : amide:sc= 0.938 K(o=0.94,f=-4.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 28 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.9!) USER MOD Single : A 39 ASN : amide:sc= 0.476 K(o=0.48,f=-11!) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0296 F(o=-2.2!,f=-0.03) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 1.07 (180deg=-0.319) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -153:sc= 0.689 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 153:sc= -0.564 (180deg=-2.01!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 81:sc= -0.823! USER MOD Single : A 56 TYR OH : rot 150:sc= 0.0613 USER MOD Single : A 59 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.25) USER MOD Single : A 62 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.5!) USER MOD Single : A 63 SER OG : rot 36:sc= 0.365 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.795 USER MOD Single : A 65 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-0.93) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 41:sc= 0.22 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 120:sc= -1.41 USER MOD Single : A 98 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.011) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.847 USER MOD Single : A 102 GLN : amide:sc= -0.88 K(o=-0.88,f=-3.8!) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.306 F(o=-0.92,f=-0.31) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 109 GLN : amide:sc= -8.54! C(o=-8.5!,f=-11!) USER MOD Single : A 113 THR OG1 : rot 179:sc= 1.33 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.15) USER MOD Single : A 120 MET CE :methyl -147:sc= -0.218 (180deg=-2.41) USER MOD Single : A 124 GLN : amide:sc= 0.179 K(o=0.18,f=-0.47) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0807 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -136:sc= 0.399 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 142 LYS NZ :NH3+ 148:sc= 0.58 (180deg=-0.593!) USER MOD Single : A 145 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -161:sc= -2.56! (180deg=-3.55!) USER MOD Single : A 158 SER OG : rot 77:sc= 0.456 USER MOD Single : A 162 LYS NZ :NH3+ 155:sc= -3.94! (180deg=-4.78!) USER MOD Single : A 164 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 165 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.3) USER MOD Single : A 169 SER OG : rot -19:sc= -1.21 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 174 GLN : amide:sc= -4.81! C(o=-4.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -28.338 10.979 -1.747 1.00 10.05 N ATOM 2 CA GLN A 1 -29.057 9.781 -1.241 1.00 9.53 C ATOM 3 C GLN A 1 -28.284 8.502 -1.548 1.00 8.72 C ATOM 4 O GLN A 1 -28.386 7.521 -0.811 1.00 8.81 O ATOM 5 CB GLN A 1 -30.460 9.708 -1.844 1.00 9.95 C ATOM 6 CG GLN A 1 -31.355 10.862 -1.425 1.00 10.89 C ATOM 7 CD GLN A 1 -32.721 10.809 -2.075 1.00 11.00 C ATOM 8 OE1 GLN A 1 -33.657 10.211 -1.541 1.00 10.82 O ATOM 9 NE2 GLN A 1 -32.846 11.428 -3.235 1.00 11.52 N ATOM 0 H1 GLN A 1 -28.741 11.834 -1.314 1.00 10.05 H new ATOM 0 H2 GLN A 1 -27.330 10.908 -1.501 1.00 10.05 H new ATOM 0 H3 GLN A 1 -28.439 11.034 -2.781 1.00 10.05 H new ATOM 0 HA GLN A 1 -29.141 9.873 -0.158 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -30.381 9.695 -2.931 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -30.927 8.769 -1.547 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -31.472 10.850 -0.341 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -30.871 11.804 -1.683 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -32.046 11.912 -3.644 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -33.742 11.422 -3.722 1.00 11.52 H new ATOM 20 N ASP A 2 -27.510 8.512 -2.630 1.00 8.19 N ATOM 21 CA ASP A 2 -26.633 7.394 -2.963 1.00 7.64 C ATOM 22 C ASP A 2 -25.331 7.528 -2.185 1.00 6.86 C ATOM 23 O ASP A 2 -24.237 7.516 -2.759 1.00 6.69 O ATOM 24 CB ASP A 2 -26.339 7.355 -4.469 1.00 8.16 C ATOM 25 CG ASP A 2 -27.590 7.244 -5.311 1.00 8.50 C ATOM 26 OD1 ASP A 2 -28.195 6.147 -5.349 1.00 8.62 O ATOM 27 OD2 ASP A 2 -27.975 8.245 -5.947 1.00 8.87 O ATOM 0 H ASP A 2 -27.473 9.286 -3.294 1.00 8.19 H new ATOM 0 HA ASP A 2 -27.133 6.464 -2.691 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -25.796 8.257 -4.751 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -25.686 6.509 -4.685 1.00 8.16 H new ATOM 32 N SER A 3 -25.465 7.648 -0.870 1.00 6.71 N ATOM 33 CA SER A 3 -24.346 7.952 0.011 1.00 6.26 C ATOM 34 C SER A 3 -23.532 6.699 0.338 1.00 5.42 C ATOM 35 O SER A 3 -23.183 6.450 1.491 1.00 5.49 O ATOM 36 CB SER A 3 -24.884 8.585 1.295 1.00 6.98 C ATOM 37 OG SER A 3 -25.939 9.492 1.006 1.00 7.51 O ATOM 0 H SER A 3 -26.355 7.537 -0.384 1.00 6.71 H new ATOM 0 HA SER A 3 -23.679 8.648 -0.498 1.00 6.26 H new ATOM 0 HB2 SER A 3 -25.242 7.806 1.968 1.00 6.98 H new ATOM 0 HB3 SER A 3 -24.080 9.108 1.813 1.00 6.98 H new ATOM 0 HG SER A 3 -26.270 9.885 1.840 1.00 7.51 H new ATOM 43 N THR A 4 -23.243 5.912 -0.680 1.00 5.01 N ATOM 44 CA THR A 4 -22.424 4.725 -0.518 1.00 4.56 C ATOM 45 C THR A 4 -21.463 4.596 -1.695 1.00 3.84 C ATOM 46 O THR A 4 -20.782 3.587 -1.854 1.00 4.15 O ATOM 47 CB THR A 4 -23.298 3.452 -0.399 1.00 5.23 C ATOM 48 OG1 THR A 4 -22.482 2.304 -0.128 1.00 5.56 O ATOM 49 CG2 THR A 4 -24.106 3.215 -1.670 1.00 5.56 C ATOM 0 H THR A 4 -23.565 6.074 -1.634 1.00 5.01 H new ATOM 0 HA THR A 4 -21.853 4.826 0.405 1.00 4.56 H new ATOM 0 HB THR A 4 -23.990 3.606 0.429 1.00 5.23 H new ATOM 0 HG1 THR A 4 -21.636 2.381 -0.618 1.00 5.56 H new ATOM 0 HG21 THR A 4 -24.709 2.314 -1.555 1.00 5.56 H new ATOM 0 HG22 THR A 4 -24.759 4.069 -1.850 1.00 5.56 H new ATOM 0 HG23 THR A 4 -23.428 3.092 -2.515 1.00 5.56 H new ATOM 57 N GLN A 5 -21.414 5.641 -2.512 1.00 3.36 N ATOM 58 CA GLN A 5 -20.569 5.650 -3.699 1.00 3.15 C ATOM 59 C GLN A 5 -19.559 6.783 -3.609 1.00 2.17 C ATOM 60 O GLN A 5 -19.053 7.273 -4.621 1.00 2.51 O ATOM 61 CB GLN A 5 -21.429 5.805 -4.953 1.00 3.99 C ATOM 62 CG GLN A 5 -22.488 4.727 -5.103 1.00 4.99 C ATOM 63 CD GLN A 5 -23.419 5.000 -6.263 1.00 5.91 C ATOM 64 OE1 GLN A 5 -23.668 6.152 -6.614 1.00 6.48 O ATOM 65 NE2 GLN A 5 -23.949 3.945 -6.862 1.00 6.37 N ATOM 0 H GLN A 5 -21.952 6.496 -2.373 1.00 3.36 H new ATOM 0 HA GLN A 5 -20.031 4.704 -3.759 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -21.916 6.780 -4.931 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -20.782 5.792 -5.830 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -22.003 3.761 -5.247 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -23.067 4.658 -4.182 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -23.717 3.005 -6.540 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -24.590 4.072 -7.645 1.00 6.37 H new ATOM 74 N ASN A 6 -19.280 7.195 -2.385 1.00 1.52 N ATOM 75 CA ASN A 6 -18.361 8.295 -2.131 1.00 0.89 C ATOM 76 C ASN A 6 -17.184 7.801 -1.305 1.00 0.78 C ATOM 77 O ASN A 6 -16.907 6.600 -1.270 1.00 1.00 O ATOM 78 CB ASN A 6 -19.075 9.443 -1.402 1.00 1.52 C ATOM 79 CG ASN A 6 -20.264 9.986 -2.174 1.00 2.32 C ATOM 80 OD1 ASN A 6 -21.389 9.504 -2.021 1.00 2.86 O ATOM 81 ND2 ASN A 6 -20.037 11.002 -2.994 1.00 3.16 N ATOM 0 H ASN A 6 -19.680 6.781 -1.543 1.00 1.52 H new ATOM 0 HA ASN A 6 -17.996 8.672 -3.086 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -19.411 9.093 -0.426 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -18.365 10.250 -1.224 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -20.806 11.411 -3.524 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -19.093 11.375 -3.095 1.00 3.16 H new ATOM 88 N LEU A 7 -16.495 8.720 -0.644 1.00 0.58 N ATOM 89 CA LEU A 7 -15.353 8.364 0.185 1.00 0.51 C ATOM 90 C LEU A 7 -15.811 7.682 1.471 1.00 0.45 C ATOM 91 O LEU A 7 -16.796 8.090 2.095 1.00 0.49 O ATOM 92 CB LEU A 7 -14.511 9.621 0.499 1.00 0.52 C ATOM 93 CG LEU A 7 -15.279 10.801 1.100 1.00 0.80 C ATOM 94 CD1 LEU A 7 -15.323 10.696 2.616 1.00 1.73 C ATOM 95 CD2 LEU A 7 -14.655 12.119 0.670 1.00 1.08 C ATOM 0 H LEU A 7 -16.707 9.718 -0.666 1.00 0.58 H new ATOM 0 HA LEU A 7 -14.730 7.659 -0.365 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -13.715 9.340 1.189 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.032 9.954 -0.422 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.303 10.770 0.727 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -15.873 11.544 3.024 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -15.820 9.769 2.902 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -14.307 10.699 3.011 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.214 12.946 1.107 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -13.621 12.160 1.011 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -14.682 12.197 -0.417 1.00 1.08 H new ATOM 107 N ILE A 8 -15.121 6.613 1.832 1.00 0.43 N ATOM 108 CA ILE A 8 -15.267 6.016 3.141 1.00 0.40 C ATOM 109 C ILE A 8 -14.583 6.922 4.137 1.00 0.40 C ATOM 110 O ILE A 8 -13.799 7.764 3.729 1.00 0.62 O ATOM 111 CB ILE A 8 -14.657 4.580 3.153 1.00 0.41 C ATOM 112 CG1 ILE A 8 -15.778 3.544 3.245 1.00 0.48 C ATOM 113 CG2 ILE A 8 -13.617 4.367 4.267 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.291 2.120 3.123 1.00 0.47 C ATOM 0 H ILE A 8 -14.449 6.140 1.228 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.319 5.913 3.406 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.116 4.454 2.215 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.295 3.663 4.197 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.508 3.739 2.459 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.234 3.348 4.217 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -12.795 5.070 4.136 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.085 4.532 5.238 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.138 1.438 3.197 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -14.799 1.985 2.160 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -14.583 1.908 3.924 1.00 0.47 H new ATOM 126 N PRO A 9 -14.946 6.801 5.420 1.00 0.31 N ATOM 127 CA PRO A 9 -14.317 7.475 6.555 1.00 0.28 C ATOM 128 C PRO A 9 -12.879 7.946 6.295 1.00 0.32 C ATOM 129 O PRO A 9 -11.918 7.295 6.708 1.00 0.38 O ATOM 130 CB PRO A 9 -14.334 6.335 7.561 1.00 0.31 C ATOM 131 CG PRO A 9 -15.616 5.601 7.292 1.00 0.35 C ATOM 132 CD PRO A 9 -16.038 5.947 5.885 1.00 0.35 C ATOM 0 HA PRO A 9 -14.822 8.397 6.844 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.471 5.682 7.433 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.301 6.710 8.584 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.474 4.526 7.398 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.385 5.893 8.008 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.148 5.057 5.265 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -16.995 6.468 5.866 1.00 0.35 H new ATOM 140 N ALA A 10 -12.761 9.084 5.615 1.00 0.36 N ATOM 141 CA ALA A 10 -11.482 9.616 5.155 1.00 0.44 C ATOM 142 C ALA A 10 -10.607 10.107 6.304 1.00 0.42 C ATOM 143 O ALA A 10 -10.918 11.109 6.950 1.00 0.53 O ATOM 144 CB ALA A 10 -11.725 10.744 4.146 1.00 0.62 C ATOM 0 H ALA A 10 -13.559 9.668 5.366 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.940 8.802 4.673 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.768 11.139 3.805 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.282 10.356 3.294 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.297 11.540 4.621 1.00 0.62 H new ATOM 150 N PRO A 11 -9.507 9.389 6.588 1.00 0.35 N ATOM 151 CA PRO A 11 -8.509 9.808 7.548 1.00 0.35 C ATOM 152 C PRO A 11 -7.312 10.470 6.868 1.00 0.39 C ATOM 153 O PRO A 11 -6.710 9.904 5.957 1.00 0.45 O ATOM 154 CB PRO A 11 -8.100 8.480 8.191 1.00 0.35 C ATOM 155 CG PRO A 11 -8.428 7.414 7.185 1.00 0.41 C ATOM 156 CD PRO A 11 -9.148 8.083 6.032 1.00 0.38 C ATOM 0 HA PRO A 11 -8.879 10.551 8.255 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.037 8.475 8.433 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.640 8.316 9.124 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -7.519 6.923 6.837 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.055 6.643 7.633 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.507 8.179 5.156 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.028 7.519 5.723 1.00 0.38 H new ATOM 164 N PRO A 12 -6.978 11.697 7.277 1.00 0.42 N ATOM 165 CA PRO A 12 -5.799 12.399 6.786 1.00 0.46 C ATOM 166 C PRO A 12 -4.504 11.741 7.244 1.00 0.44 C ATOM 167 O PRO A 12 -4.518 10.846 8.091 1.00 0.41 O ATOM 168 CB PRO A 12 -5.908 13.814 7.373 1.00 0.50 C ATOM 169 CG PRO A 12 -7.294 13.908 7.926 1.00 0.55 C ATOM 170 CD PRO A 12 -7.720 12.505 8.253 1.00 0.48 C ATOM 0 HA PRO A 12 -5.767 12.391 5.696 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.162 13.975 8.152 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.738 14.571 6.608 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.314 14.537 8.816 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.971 14.360 7.201 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.465 12.235 9.278 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.797 12.376 8.148 1.00 0.48 H new ATOM 178 N LEU A 13 -3.396 12.183 6.665 1.00 0.50 N ATOM 179 CA LEU A 13 -2.048 11.759 7.067 1.00 0.51 C ATOM 180 C LEU A 13 -1.931 11.754 8.587 1.00 0.49 C ATOM 181 O LEU A 13 -1.250 10.941 9.194 1.00 0.48 O ATOM 182 CB LEU A 13 -1.056 12.793 6.509 1.00 0.61 C ATOM 183 CG LEU A 13 0.366 12.301 6.212 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.977 11.593 7.415 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.352 11.414 4.977 1.00 0.74 C ATOM 0 H LEU A 13 -3.400 12.852 5.895 1.00 0.50 H new ATOM 0 HA LEU A 13 -1.843 10.757 6.690 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.473 13.201 5.588 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -0.988 13.616 7.220 1.00 0.61 H new ATOM 0 HG LEU A 13 1.001 13.163 6.009 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.984 11.258 7.167 1.00 0.50 H new ATOM 0 HD12 LEU A 13 1.021 12.281 8.259 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.364 10.732 7.681 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.363 11.066 4.768 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.298 10.557 5.152 1.00 0.74 H new ATOM 0 HD23 LEU A 13 -0.019 11.983 4.125 1.00 0.74 H new ATOM 197 N ILE A 14 -2.639 12.659 9.186 1.00 0.52 N ATOM 198 CA ILE A 14 -2.484 12.947 10.579 1.00 0.56 C ATOM 199 C ILE A 14 -3.173 11.900 11.467 1.00 0.54 C ATOM 200 O ILE A 14 -3.027 11.922 12.690 1.00 0.61 O ATOM 201 CB ILE A 14 -3.053 14.349 10.842 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.588 14.303 10.834 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.539 15.295 9.757 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.244 15.655 10.669 1.00 1.05 C ATOM 0 H ILE A 14 -3.348 13.225 8.719 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.425 12.913 10.835 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.730 14.706 11.820 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.917 13.650 10.026 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.932 13.855 11.766 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.935 16.296 9.930 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.450 15.325 9.787 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.866 14.939 8.780 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.328 15.537 10.673 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.947 16.306 11.491 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.931 16.098 9.724 1.00 1.05 H new ATOM 216 N SER A 15 -3.918 10.982 10.854 1.00 0.46 N ATOM 217 CA SER A 15 -4.603 9.928 11.599 1.00 0.46 C ATOM 218 C SER A 15 -3.694 8.722 11.777 1.00 0.46 C ATOM 219 O SER A 15 -3.908 7.888 12.659 1.00 0.51 O ATOM 220 CB SER A 15 -5.873 9.500 10.865 1.00 0.42 C ATOM 221 OG SER A 15 -6.557 10.631 10.358 1.00 0.92 O ATOM 0 H SER A 15 -4.062 10.947 9.845 1.00 0.46 H new ATOM 0 HA SER A 15 -4.867 10.323 12.580 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.618 8.825 10.048 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.524 8.948 11.543 1.00 0.42 H new ATOM 0 HG SER A 15 -6.107 10.949 9.548 1.00 0.92 H new ATOM 227 N VAL A 16 -2.677 8.641 10.937 1.00 0.43 N ATOM 228 CA VAL A 16 -1.809 7.482 10.906 1.00 0.43 C ATOM 229 C VAL A 16 -0.560 7.708 11.760 1.00 0.45 C ATOM 230 O VAL A 16 0.031 8.792 11.746 1.00 0.50 O ATOM 231 CB VAL A 16 -1.399 7.143 9.451 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.469 8.202 8.868 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.762 5.763 9.377 1.00 0.45 C ATOM 0 H VAL A 16 -2.433 9.369 10.265 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.365 6.641 11.321 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.306 7.136 8.847 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.203 7.930 7.847 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -0.973 9.168 8.867 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.435 8.266 9.474 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.482 5.546 8.346 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.127 5.738 10.007 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.474 5.014 9.725 1.00 0.45 H new ATOM 243 N PRO A 17 -0.172 6.703 12.559 1.00 0.46 N ATOM 244 CA PRO A 17 1.113 6.710 13.245 1.00 0.50 C ATOM 245 C PRO A 17 2.241 6.490 12.251 1.00 0.43 C ATOM 246 O PRO A 17 2.069 5.793 11.250 1.00 0.48 O ATOM 247 CB PRO A 17 1.016 5.543 14.227 1.00 0.59 C ATOM 248 CG PRO A 17 -0.003 4.629 13.639 1.00 0.53 C ATOM 249 CD PRO A 17 -0.956 5.494 12.858 1.00 0.50 C ATOM 0 HA PRO A 17 1.323 7.656 13.745 1.00 0.50 H new ATOM 0 HB2 PRO A 17 1.977 5.042 14.341 1.00 0.59 H new ATOM 0 HB3 PRO A 17 0.715 5.884 15.218 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.468 3.889 12.992 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.529 4.081 14.421 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -1.290 4.999 11.946 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.848 5.730 13.438 1.00 0.50 H new ATOM 257 N LEU A 18 3.386 7.079 12.514 1.00 0.42 N ATOM 258 CA LEU A 18 4.475 7.054 11.555 1.00 0.38 C ATOM 259 C LEU A 18 5.640 6.224 12.070 1.00 0.33 C ATOM 260 O LEU A 18 5.850 6.125 13.278 1.00 0.35 O ATOM 261 CB LEU A 18 4.932 8.481 11.258 1.00 0.46 C ATOM 262 CG LEU A 18 5.863 8.620 10.057 1.00 0.63 C ATOM 263 CD1 LEU A 18 5.187 8.077 8.809 1.00 1.15 C ATOM 264 CD2 LEU A 18 6.261 10.074 9.857 1.00 1.07 C ATOM 0 H LEU A 18 3.590 7.580 13.379 1.00 0.42 H new ATOM 0 HA LEU A 18 4.115 6.591 10.636 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.052 9.102 11.091 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.438 8.876 12.139 1.00 0.46 H new ATOM 0 HG LEU A 18 6.767 8.041 10.246 1.00 0.63 H new ATOM 0 HD11 LEU A 18 5.859 8.180 7.957 1.00 1.15 H new ATOM 0 HD12 LEU A 18 4.945 7.024 8.955 1.00 1.15 H new ATOM 0 HD13 LEU A 18 4.271 8.636 8.619 1.00 1.15 H new ATOM 0 HD21 LEU A 18 6.925 10.154 8.996 1.00 1.07 H new ATOM 0 HD22 LEU A 18 5.368 10.675 9.684 1.00 1.07 H new ATOM 0 HD23 LEU A 18 6.775 10.436 10.747 1.00 1.07 H new ATOM 276 N GLN A 19 6.375 5.619 11.136 1.00 0.36 N ATOM 277 CA GLN A 19 7.556 4.825 11.463 1.00 0.47 C ATOM 278 C GLN A 19 8.599 5.680 12.185 1.00 0.62 C ATOM 279 O GLN A 19 9.172 6.603 11.598 1.00 0.68 O ATOM 280 CB GLN A 19 8.175 4.229 10.184 1.00 0.49 C ATOM 281 CG GLN A 19 9.492 3.501 10.414 1.00 1.04 C ATOM 282 CD GLN A 19 9.378 2.366 11.417 1.00 2.08 C ATOM 283 OE1 GLN A 19 8.336 1.728 11.536 1.00 2.68 O ATOM 284 NE2 GLN A 19 10.450 2.110 12.149 1.00 2.93 N ATOM 0 H GLN A 19 6.169 5.666 10.138 1.00 0.36 H new ATOM 0 HA GLN A 19 7.245 4.014 12.122 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.462 3.536 9.737 1.00 0.49 H new ATOM 0 HB3 GLN A 19 8.336 5.031 9.463 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.852 3.104 9.465 1.00 1.04 H new ATOM 0 HG3 GLN A 19 10.238 4.214 10.764 1.00 1.04 H new ATOM 0 HE21 GLN A 19 11.298 2.662 12.022 1.00 2.93 H new ATOM 0 HE22 GLN A 19 10.428 1.361 12.841 1.00 2.93 H new ATOM 293 N PRO A 20 8.852 5.388 13.471 1.00 0.92 N ATOM 294 CA PRO A 20 9.880 6.067 14.249 1.00 1.20 C ATOM 295 C PRO A 20 11.262 5.528 13.907 1.00 1.19 C ATOM 296 O PRO A 20 11.454 4.314 13.807 1.00 1.36 O ATOM 297 CB PRO A 20 9.522 5.745 15.709 1.00 1.58 C ATOM 298 CG PRO A 20 8.260 4.941 15.661 1.00 1.65 C ATOM 299 CD PRO A 20 8.163 4.376 14.272 1.00 1.15 C ATOM 0 HA PRO A 20 9.912 7.138 14.050 1.00 1.20 H new ATOM 0 HB2 PRO A 20 10.323 5.185 16.192 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.380 6.659 16.286 1.00 1.58 H new ATOM 0 HG2 PRO A 20 8.281 4.143 16.403 1.00 1.65 H new ATOM 0 HG3 PRO A 20 7.395 5.564 15.887 1.00 1.65 H new ATOM 0 HD2 PRO A 20 8.644 3.401 14.196 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.127 4.246 13.958 1.00 1.15 H new ATOM 307 N GLY A 21 12.219 6.425 13.727 1.00 1.32 N ATOM 308 CA GLY A 21 13.534 6.015 13.280 1.00 1.38 C ATOM 309 C GLY A 21 13.486 5.503 11.856 1.00 1.06 C ATOM 310 O GLY A 21 13.755 4.331 11.593 1.00 1.29 O ATOM 0 H GLY A 21 12.110 7.427 13.882 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.223 6.857 13.345 1.00 1.38 H new ATOM 0 HA3 GLY A 21 13.920 5.236 13.938 1.00 1.38 H new ATOM 314 N PHE A 22 13.117 6.382 10.942 1.00 0.69 N ATOM 315 CA PHE A 22 12.944 6.012 9.550 1.00 0.51 C ATOM 316 C PHE A 22 14.104 6.517 8.704 1.00 0.51 C ATOM 317 O PHE A 22 14.535 7.661 8.847 1.00 0.68 O ATOM 318 CB PHE A 22 11.624 6.577 9.020 1.00 0.71 C ATOM 319 CG PHE A 22 11.397 6.303 7.563 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.768 5.142 7.157 1.00 0.91 C ATOM 321 CD2 PHE A 22 11.822 7.206 6.600 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.569 4.882 5.820 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.625 6.953 5.260 1.00 2.66 C ATOM 324 CZ PHE A 22 10.999 5.788 4.870 1.00 2.32 C ATOM 0 H PHE A 22 12.930 7.365 11.142 1.00 0.69 H new ATOM 0 HA PHE A 22 12.922 4.924 9.485 1.00 0.51 H new ATOM 0 HB2 PHE A 22 10.800 6.153 9.594 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.607 7.654 9.186 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.429 4.431 7.896 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.313 8.118 6.904 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.077 3.971 5.514 1.00 1.43 H new ATOM 0 HE2 PHE A 22 11.959 7.664 4.519 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.845 5.584 3.821 1.00 2.32 H new ATOM 334 N TRP A 23 14.596 5.658 7.819 1.00 0.48 N ATOM 335 CA TRP A 23 15.661 6.030 6.899 1.00 0.57 C ATOM 336 C TRP A 23 15.327 5.568 5.484 1.00 0.50 C ATOM 337 O TRP A 23 14.534 4.643 5.306 1.00 0.51 O ATOM 338 CB TRP A 23 17.005 5.433 7.332 1.00 0.78 C ATOM 339 CG TRP A 23 17.511 5.973 8.632 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.169 7.152 8.824 1.00 2.36 C ATOM 341 CD2 TRP A 23 17.409 5.352 9.918 1.00 2.01 C ATOM 342 NE1 TRP A 23 18.479 7.305 10.152 1.00 3.05 N ATOM 343 CE2 TRP A 23 18.021 6.215 10.846 1.00 2.82 C ATOM 344 CE3 TRP A 23 16.855 4.153 10.375 1.00 2.70 C ATOM 345 CZ2 TRP A 23 18.095 5.915 12.203 1.00 3.70 C ATOM 346 CZ3 TRP A 23 16.929 3.855 11.722 1.00 3.72 C ATOM 347 CH2 TRP A 23 17.545 4.735 12.623 1.00 4.03 C ATOM 0 H TRP A 23 14.272 4.696 7.720 1.00 0.48 H new ATOM 0 HA TRP A 23 15.746 7.117 6.914 1.00 0.57 H new ATOM 0 HB2 TRP A 23 16.903 4.351 7.413 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.745 5.626 6.556 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.410 7.861 8.046 1.00 2.36 H new ATOM 0 HE1 TRP A 23 18.971 8.101 10.557 1.00 3.05 H new ATOM 0 HE3 TRP A 23 16.377 3.471 9.687 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 18.570 6.590 12.900 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 16.506 2.930 12.086 1.00 3.72 H new ATOM 0 HH2 TRP A 23 17.586 4.476 13.671 1.00 4.03 H new ATOM 358 N THR A 24 15.928 6.207 4.492 1.00 0.50 N ATOM 359 CA THR A 24 15.722 5.845 3.092 1.00 0.47 C ATOM 360 C THR A 24 16.086 4.385 2.830 1.00 0.46 C ATOM 361 O THR A 24 15.269 3.598 2.349 1.00 0.48 O ATOM 362 CB THR A 24 16.584 6.742 2.199 1.00 0.50 C ATOM 363 OG1 THR A 24 17.653 7.303 2.976 1.00 0.58 O ATOM 364 CG2 THR A 24 15.755 7.847 1.578 1.00 0.53 C ATOM 0 H THR A 24 16.570 6.988 4.630 1.00 0.50 H new ATOM 0 HA THR A 24 14.665 5.982 2.863 1.00 0.47 H new ATOM 0 HB THR A 24 16.997 6.138 1.392 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.206 7.876 2.405 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.391 8.469 0.949 1.00 0.53 H new ATOM 0 HG22 THR A 24 14.962 7.410 0.972 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.315 8.458 2.366 1.00 0.53 H new ATOM 372 N GLU A 25 17.314 4.037 3.184 1.00 0.53 N ATOM 373 CA GLU A 25 17.861 2.713 2.919 1.00 0.60 C ATOM 374 C GLU A 25 17.137 1.645 3.743 1.00 0.60 C ATOM 375 O GLU A 25 17.173 0.454 3.421 1.00 0.63 O ATOM 376 CB GLU A 25 19.349 2.714 3.259 1.00 0.71 C ATOM 377 CG GLU A 25 20.132 1.565 2.654 1.00 1.31 C ATOM 378 CD GLU A 25 21.568 1.553 3.123 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.362 2.377 2.627 1.00 1.94 O ATOM 380 OE2 GLU A 25 21.921 0.702 3.966 1.00 1.88 O ATOM 0 H GLU A 25 17.960 4.664 3.663 1.00 0.53 H new ATOM 0 HA GLU A 25 17.720 2.476 1.865 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.786 3.653 2.920 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.461 2.683 4.343 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.655 0.621 2.920 1.00 1.31 H new ATOM 0 HG3 GLU A 25 20.106 1.640 1.567 1.00 1.31 H new ATOM 387 N ARG A 26 16.483 2.084 4.808 1.00 0.64 N ATOM 388 CA ARG A 26 15.758 1.185 5.694 1.00 0.76 C ATOM 389 C ARG A 26 14.426 0.787 5.064 1.00 0.71 C ATOM 390 O ARG A 26 13.788 -0.180 5.481 1.00 0.87 O ATOM 391 CB ARG A 26 15.522 1.866 7.045 1.00 0.96 C ATOM 392 CG ARG A 26 15.005 0.937 8.133 1.00 1.62 C ATOM 393 CD ARG A 26 16.043 -0.103 8.524 1.00 2.07 C ATOM 394 NE ARG A 26 15.608 -0.907 9.664 1.00 2.61 N ATOM 395 CZ ARG A 26 16.110 -0.796 10.893 1.00 3.42 C ATOM 396 NH1 ARG A 26 17.091 0.064 11.143 1.00 3.88 N ATOM 397 NH2 ARG A 26 15.631 -1.553 11.873 1.00 4.18 N ATOM 0 H ARG A 26 16.440 3.066 5.081 1.00 0.64 H new ATOM 0 HA ARG A 26 16.352 0.285 5.850 1.00 0.76 H new ATOM 0 HB2 ARG A 26 16.457 2.315 7.381 1.00 0.96 H new ATOM 0 HB3 ARG A 26 14.809 2.679 6.909 1.00 0.96 H new ATOM 0 HG2 ARG A 26 14.728 1.522 9.010 1.00 1.62 H new ATOM 0 HG3 ARG A 26 14.101 0.436 7.785 1.00 1.62 H new ATOM 0 HD2 ARG A 26 16.240 -0.756 7.674 1.00 2.07 H new ATOM 0 HD3 ARG A 26 16.981 0.395 8.768 1.00 2.07 H new ATOM 0 HE ARG A 26 14.873 -1.597 9.509 1.00 2.61 H new ATOM 0 HH11 ARG A 26 17.464 0.644 10.392 1.00 3.88 H new ATOM 0 HH12 ARG A 26 17.471 0.144 12.086 1.00 3.88 H new ATOM 0 HH21 ARG A 26 14.881 -2.217 11.684 1.00 4.18 H new ATOM 0 HH22 ARG A 26 16.013 -1.470 12.815 1.00 4.18 H new ATOM 411 N PHE A 27 14.022 1.536 4.047 1.00 0.59 N ATOM 412 CA PHE A 27 12.766 1.288 3.361 1.00 0.61 C ATOM 413 C PHE A 27 13.049 0.913 1.904 1.00 0.51 C ATOM 414 O PHE A 27 12.348 1.336 0.987 1.00 0.72 O ATOM 415 CB PHE A 27 11.873 2.536 3.451 1.00 0.71 C ATOM 416 CG PHE A 27 10.392 2.264 3.330 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.628 1.972 4.455 1.00 0.95 C ATOM 418 CD2 PHE A 27 9.759 2.314 2.097 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.272 1.734 4.347 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.402 2.075 1.987 1.00 2.21 C ATOM 421 CZ PHE A 27 7.658 1.784 3.112 1.00 2.03 C ATOM 0 H PHE A 27 14.552 2.326 3.678 1.00 0.59 H new ATOM 0 HA PHE A 27 12.239 0.459 3.834 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.061 3.032 4.403 1.00 0.71 H new ATOM 0 HB3 PHE A 27 12.166 3.233 2.666 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.101 1.931 5.425 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.334 2.543 1.212 1.00 1.74 H new ATOM 0 HE1 PHE A 27 7.692 1.509 5.229 1.00 1.39 H new ATOM 0 HE2 PHE A 27 7.924 2.116 1.020 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.598 1.596 3.026 1.00 2.03 H new ATOM 431 N GLN A 28 14.112 0.144 1.697 1.00 0.40 N ATOM 432 CA GLN A 28 14.449 -0.350 0.369 1.00 0.31 C ATOM 433 C GLN A 28 14.465 -1.872 0.345 1.00 0.30 C ATOM 434 O GLN A 28 14.931 -2.517 1.287 1.00 0.37 O ATOM 435 CB GLN A 28 15.802 0.200 -0.097 1.00 0.28 C ATOM 436 CG GLN A 28 16.396 -0.566 -1.274 1.00 0.45 C ATOM 437 CD GLN A 28 17.617 0.099 -1.876 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.367 0.798 -1.195 1.00 1.73 O ATOM 439 NE2 GLN A 28 17.823 -0.124 -3.166 1.00 1.23 N ATOM 0 H GLN A 28 14.755 -0.150 2.432 1.00 0.40 H new ATOM 0 HA GLN A 28 13.680 0.001 -0.319 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.683 1.247 -0.378 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.504 0.171 0.737 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.664 -1.570 -0.945 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.635 -0.676 -2.046 1.00 0.45 H new ATOM 0 HE21 GLN A 28 17.175 -0.710 -3.692 1.00 1.23 H new ATOM 0 HE22 GLN A 28 18.630 0.291 -3.633 1.00 1.23 H new ATOM 448 N GLY A 29 13.950 -2.434 -0.739 1.00 0.29 N ATOM 449 CA GLY A 29 13.940 -3.873 -0.901 1.00 0.32 C ATOM 450 C GLY A 29 12.593 -4.407 -1.329 1.00 0.30 C ATOM 451 O GLY A 29 11.735 -3.653 -1.795 1.00 0.28 O ATOM 0 H GLY A 29 13.536 -1.915 -1.514 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.689 -4.156 -1.641 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.229 -4.342 0.040 1.00 0.32 H new ATOM 455 N ARG A 30 12.411 -5.711 -1.165 1.00 0.35 N ATOM 456 CA ARG A 30 11.212 -6.392 -1.633 1.00 0.36 C ATOM 457 C ARG A 30 10.226 -6.572 -0.494 1.00 0.39 C ATOM 458 O ARG A 30 10.517 -7.265 0.480 1.00 0.51 O ATOM 459 CB ARG A 30 11.547 -7.770 -2.226 1.00 0.46 C ATOM 460 CG ARG A 30 12.257 -7.730 -3.573 1.00 0.51 C ATOM 461 CD ARG A 30 13.665 -7.157 -3.453 1.00 0.66 C ATOM 462 NE ARG A 30 14.304 -6.919 -4.750 1.00 1.20 N ATOM 463 CZ ARG A 30 15.026 -5.824 -5.027 1.00 1.70 C ATOM 464 NH1 ARG A 30 15.225 -4.904 -4.087 1.00 1.65 N ATOM 465 NH2 ARG A 30 15.562 -5.652 -6.227 1.00 2.57 N ATOM 0 H ARG A 30 13.086 -6.323 -0.707 1.00 0.35 H new ATOM 0 HA ARG A 30 10.768 -5.771 -2.411 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.173 -8.313 -1.517 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.623 -8.338 -2.335 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.308 -8.737 -3.987 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.677 -7.127 -4.272 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.623 -6.219 -2.899 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.281 -7.843 -2.872 1.00 0.66 H new ATOM 0 HE ARG A 30 14.194 -7.623 -5.480 1.00 1.20 H new ATOM 0 HH11 ARG A 30 14.828 -5.032 -3.156 1.00 1.65 H new ATOM 0 HH12 ARG A 30 15.774 -4.071 -4.297 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.427 -6.357 -6.952 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.109 -4.815 -6.426 1.00 2.57 H new ATOM 479 N TRP A 31 9.074 -5.939 -0.610 1.00 0.34 N ATOM 480 CA TRP A 31 8.008 -6.131 0.356 1.00 0.42 C ATOM 481 C TRP A 31 6.841 -6.865 -0.283 1.00 0.34 C ATOM 482 O TRP A 31 6.327 -6.461 -1.332 1.00 0.34 O ATOM 483 CB TRP A 31 7.551 -4.798 0.948 1.00 0.55 C ATOM 484 CG TRP A 31 8.255 -4.444 2.224 1.00 0.85 C ATOM 485 CD1 TRP A 31 7.760 -4.561 3.491 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.585 -3.930 2.365 1.00 0.74 C ATOM 487 NE1 TRP A 31 8.692 -4.136 4.406 1.00 1.91 N ATOM 488 CE2 TRP A 31 9.821 -3.748 3.739 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.598 -3.604 1.461 1.00 1.79 C ATOM 490 CZ2 TRP A 31 11.025 -3.251 4.230 1.00 0.90 C ATOM 491 CZ3 TRP A 31 11.793 -3.113 1.951 1.00 2.36 C ATOM 492 CH2 TRP A 31 11.997 -2.941 3.323 1.00 1.70 C ATOM 0 H TRP A 31 8.852 -5.288 -1.363 1.00 0.34 H new ATOM 0 HA TRP A 31 8.396 -6.740 1.172 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.719 -4.007 0.217 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.478 -4.839 1.133 1.00 0.55 H new ATOM 0 HD1 TRP A 31 6.777 -4.934 3.738 1.00 1.94 H new ATOM 0 HE1 TRP A 31 8.563 -4.113 5.418 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.450 -3.733 0.399 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.184 -3.116 5.290 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.584 -2.857 1.261 1.00 2.36 H new ATOM 0 HH2 TRP A 31 12.943 -2.555 3.673 1.00 1.70 H new ATOM 503 N PHE A 32 6.448 -7.959 0.350 1.00 0.31 N ATOM 504 CA PHE A 32 5.374 -8.800 -0.146 1.00 0.30 C ATOM 505 C PHE A 32 4.044 -8.395 0.464 1.00 0.29 C ATOM 506 O PHE A 32 3.935 -8.250 1.682 1.00 0.33 O ATOM 507 CB PHE A 32 5.661 -10.267 0.183 1.00 0.38 C ATOM 508 CG PHE A 32 6.728 -10.879 -0.673 1.00 0.63 C ATOM 509 CD1 PHE A 32 6.392 -11.469 -1.871 1.00 0.68 C ATOM 510 CD2 PHE A 32 8.059 -10.864 -0.286 1.00 1.10 C ATOM 511 CE1 PHE A 32 7.351 -12.035 -2.680 1.00 1.17 C ATOM 512 CE2 PHE A 32 9.032 -11.432 -1.092 1.00 1.62 C ATOM 513 CZ PHE A 32 8.677 -12.019 -2.291 1.00 1.64 C ATOM 0 H PHE A 32 6.865 -8.287 1.221 1.00 0.31 H new ATOM 0 HA PHE A 32 5.316 -8.673 -1.227 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.958 -10.344 1.229 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.742 -10.842 0.069 1.00 0.38 H new ATOM 0 HD1 PHE A 32 5.358 -11.488 -2.181 1.00 0.68 H new ATOM 0 HD2 PHE A 32 8.340 -10.406 0.651 1.00 1.10 H new ATOM 0 HE1 PHE A 32 7.068 -12.491 -3.617 1.00 1.17 H new ATOM 0 HE2 PHE A 32 10.067 -11.416 -0.783 1.00 1.62 H new ATOM 0 HZ PHE A 32 9.433 -12.464 -2.922 1.00 1.64 H new ATOM 523 N VAL A 33 3.043 -8.195 -0.381 1.00 0.28 N ATOM 524 CA VAL A 33 1.689 -7.941 0.109 1.00 0.30 C ATOM 525 C VAL A 33 1.106 -9.215 0.705 1.00 0.31 C ATOM 526 O VAL A 33 1.024 -10.236 0.031 1.00 0.52 O ATOM 527 CB VAL A 33 0.733 -7.453 -0.999 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.460 -6.727 -0.402 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.450 -6.576 -2.001 1.00 0.74 C ATOM 0 H VAL A 33 3.136 -8.203 -1.397 1.00 0.28 H new ATOM 0 HA VAL A 33 1.776 -7.155 0.859 1.00 0.30 H new ATOM 0 HB VAL A 33 0.368 -8.332 -1.531 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.120 -6.392 -1.202 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.004 -7.403 0.258 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.113 -5.864 0.167 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.747 -6.250 -2.768 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.862 -5.705 -1.492 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.258 -7.141 -2.466 1.00 0.74 H new ATOM 539 N VAL A 34 0.722 -9.164 1.967 1.00 0.20 N ATOM 540 CA VAL A 34 0.107 -10.321 2.607 1.00 0.25 C ATOM 541 C VAL A 34 -1.335 -10.003 3.014 1.00 0.28 C ATOM 542 O VAL A 34 -2.149 -10.902 3.240 1.00 0.47 O ATOM 543 CB VAL A 34 0.916 -10.787 3.841 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.422 -12.139 4.339 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.403 -10.851 3.521 1.00 0.29 C ATOM 0 H VAL A 34 0.822 -8.345 2.567 1.00 0.20 H new ATOM 0 HA VAL A 34 0.103 -11.134 1.881 1.00 0.25 H new ATOM 0 HB VAL A 34 0.765 -10.055 4.634 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.007 -12.443 5.207 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.629 -12.062 4.619 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.533 -12.881 3.548 1.00 0.40 H new ATOM 0 HG21 VAL A 34 2.951 -11.181 4.403 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.570 -11.555 2.706 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.754 -9.863 3.224 1.00 0.29 H new ATOM 555 N GLY A 35 -1.659 -8.716 3.078 1.00 0.19 N ATOM 556 CA GLY A 35 -3.007 -8.307 3.428 1.00 0.19 C ATOM 557 C GLY A 35 -3.354 -6.939 2.873 1.00 0.17 C ATOM 558 O GLY A 35 -2.460 -6.145 2.568 1.00 0.18 O ATOM 0 H GLY A 35 -1.013 -7.949 2.894 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.717 -9.042 3.049 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.110 -8.294 4.513 1.00 0.19 H new ATOM 562 N LEU A 36 -4.648 -6.649 2.754 1.00 0.17 N ATOM 563 CA LEU A 36 -5.089 -5.380 2.198 1.00 0.18 C ATOM 564 C LEU A 36 -6.447 -4.980 2.762 1.00 0.16 C ATOM 565 O LEU A 36 -7.346 -5.802 2.883 1.00 0.18 O ATOM 566 CB LEU A 36 -5.176 -5.472 0.680 1.00 0.20 C ATOM 567 CG LEU A 36 -5.143 -4.126 -0.043 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.752 -3.516 0.051 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.556 -4.293 -1.492 1.00 0.30 C ATOM 0 H LEU A 36 -5.403 -7.275 3.035 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.358 -4.620 2.475 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.350 -6.084 0.318 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -6.097 -5.990 0.413 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.852 -3.452 0.438 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.739 -2.557 -0.467 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.491 -3.366 1.098 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.028 -4.188 -0.411 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.527 -3.325 -1.992 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.870 -4.979 -1.989 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.568 -4.695 -1.538 1.00 0.30 H new ATOM 581 N ALA A 37 -6.587 -3.711 3.082 1.00 0.17 N ATOM 582 CA ALA A 37 -7.808 -3.188 3.674 1.00 0.18 C ATOM 583 C ALA A 37 -8.011 -1.757 3.209 1.00 0.24 C ATOM 584 O ALA A 37 -7.099 -0.956 3.311 1.00 0.43 O ATOM 585 CB ALA A 37 -7.699 -3.237 5.195 1.00 0.25 C ATOM 0 H ALA A 37 -5.860 -3.010 2.941 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.660 -3.792 3.363 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.614 -2.845 5.638 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.553 -4.268 5.516 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.851 -2.633 5.519 1.00 0.25 H new ATOM 591 N GLY A 38 -9.175 -1.425 2.681 1.00 0.22 N ATOM 592 CA GLY A 38 -9.364 -0.084 2.170 1.00 0.26 C ATOM 593 C GLY A 38 -10.589 0.064 1.309 1.00 0.25 C ATOM 594 O GLY A 38 -11.049 -0.897 0.708 1.00 0.26 O ATOM 0 H GLY A 38 -9.980 -2.045 2.597 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.433 0.609 3.008 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.486 0.203 1.591 1.00 0.26 H new ATOM 598 N ASN A 39 -11.115 1.283 1.229 1.00 0.26 N ATOM 599 CA ASN A 39 -12.323 1.526 0.455 1.00 0.27 C ATOM 600 C ASN A 39 -12.016 1.421 -1.035 1.00 0.32 C ATOM 601 O ASN A 39 -12.917 1.281 -1.861 1.00 0.40 O ATOM 602 CB ASN A 39 -12.944 2.893 0.767 1.00 0.31 C ATOM 603 CG ASN A 39 -12.065 4.066 0.373 1.00 1.08 C ATOM 604 OD1 ASN A 39 -10.844 4.003 0.472 1.00 1.94 O ATOM 605 ND2 ASN A 39 -12.687 5.132 -0.114 1.00 1.73 N ATOM 0 H ASN A 39 -10.727 2.108 1.686 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.051 0.765 0.736 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.899 2.975 0.248 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -13.155 2.951 1.835 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -12.147 5.940 -0.423 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -13.705 5.143 -0.179 1.00 1.73 H new ATOM 612 N ALA A 40 -10.729 1.502 -1.367 1.00 0.34 N ATOM 613 CA ALA A 40 -10.270 1.321 -2.738 1.00 0.41 C ATOM 614 C ALA A 40 -9.875 -0.135 -2.976 1.00 0.39 C ATOM 615 O ALA A 40 -9.509 -0.522 -4.085 1.00 0.45 O ATOM 616 CB ALA A 40 -9.097 2.247 -3.026 1.00 0.46 C ATOM 0 H ALA A 40 -9.983 1.693 -0.698 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.084 1.573 -3.417 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -8.763 2.102 -4.053 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -9.408 3.282 -2.888 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.278 2.020 -2.343 1.00 0.46 H new ATOM 622 N VAL A 41 -9.945 -0.929 -1.910 1.00 0.34 N ATOM 623 CA VAL A 41 -9.667 -2.359 -1.979 1.00 0.33 C ATOM 624 C VAL A 41 -10.782 -3.087 -2.725 1.00 0.42 C ATOM 625 O VAL A 41 -11.969 -2.819 -2.511 1.00 0.46 O ATOM 626 CB VAL A 41 -9.502 -2.973 -0.557 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.733 -4.482 -0.560 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.117 -2.663 -0.010 1.00 0.30 C ATOM 0 H VAL A 41 -10.195 -0.599 -0.978 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.730 -2.485 -2.521 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.258 -2.521 0.085 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.609 -4.871 0.451 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.744 -4.695 -0.909 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.012 -4.959 -1.224 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.013 -3.097 0.984 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.361 -3.086 -0.672 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -7.983 -1.583 0.050 1.00 0.30 H new ATOM 638 N GLN A 42 -10.395 -3.990 -3.617 1.00 0.55 N ATOM 639 CA GLN A 42 -11.358 -4.828 -4.312 1.00 0.69 C ATOM 640 C GLN A 42 -11.797 -5.960 -3.391 1.00 0.60 C ATOM 641 O GLN A 42 -11.295 -7.079 -3.486 1.00 0.70 O ATOM 642 CB GLN A 42 -10.747 -5.407 -5.594 1.00 0.93 C ATOM 643 CG GLN A 42 -11.651 -5.310 -6.816 1.00 1.49 C ATOM 644 CD GLN A 42 -12.968 -6.061 -6.674 1.00 1.84 C ATOM 645 OE1 GLN A 42 -12.968 -7.163 -5.938 1.00 2.44 O flip ATOM 646 NE2 GLN A 42 -13.982 -5.656 -7.240 1.00 2.35 N flip ATOM 0 H GLN A 42 -9.423 -4.159 -3.874 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.221 -4.221 -4.587 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.813 -4.887 -5.805 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -10.497 -6.454 -5.423 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -11.863 -4.260 -7.016 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -11.116 -5.697 -7.683 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -13.948 -4.804 -7.799 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -14.857 -6.172 -7.150 1.00 2.35 H new ATOM 655 N LYS A 43 -12.715 -5.653 -2.493 1.00 0.50 N ATOM 656 CA LYS A 43 -13.237 -6.636 -1.561 1.00 0.48 C ATOM 657 C LYS A 43 -14.636 -7.048 -2.011 1.00 0.59 C ATOM 658 O LYS A 43 -15.633 -6.440 -1.626 1.00 0.69 O ATOM 659 CB LYS A 43 -13.269 -6.042 -0.148 1.00 0.43 C ATOM 660 CG LYS A 43 -13.109 -7.053 0.973 1.00 0.57 C ATOM 661 CD LYS A 43 -13.912 -8.317 0.776 1.00 0.55 C ATOM 662 CE LYS A 43 -13.274 -9.439 1.563 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.995 -10.726 1.392 1.00 0.97 N ATOM 0 H LYS A 43 -13.118 -4.722 -2.389 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.596 -7.517 -1.544 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.476 -5.299 -0.064 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.214 -5.516 -0.012 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.055 -7.315 1.066 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.406 -6.588 1.913 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.940 -8.164 1.106 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.952 -8.576 -0.282 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -12.238 -9.560 1.245 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -13.254 -9.173 2.620 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -14.276 -11.093 2.324 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.843 -10.574 0.809 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -13.371 -11.414 0.923 1.00 0.97 H new ATOM 677 N GLU A 44 -14.689 -8.076 -2.840 1.00 0.68 N ATOM 678 CA GLU A 44 -15.947 -8.520 -3.442 1.00 0.80 C ATOM 679 C GLU A 44 -16.803 -9.342 -2.476 1.00 0.76 C ATOM 680 O GLU A 44 -17.892 -8.917 -2.086 1.00 0.88 O ATOM 681 CB GLU A 44 -15.689 -9.332 -4.738 1.00 0.94 C ATOM 682 CG GLU A 44 -14.764 -10.546 -4.628 1.00 0.95 C ATOM 683 CD GLU A 44 -13.560 -10.323 -3.751 1.00 1.59 C ATOM 684 OE1 GLU A 44 -12.633 -9.614 -4.167 1.00 2.22 O ATOM 685 OE2 GLU A 44 -13.570 -10.816 -2.616 1.00 2.00 O ATOM 0 H GLU A 44 -13.875 -8.625 -3.116 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.504 -7.616 -3.689 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.651 -9.673 -5.120 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -15.272 -8.655 -5.484 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -15.334 -11.389 -4.238 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -14.427 -10.824 -5.626 1.00 0.95 H new ATOM 692 N ARG A 45 -16.278 -10.482 -2.055 1.00 0.70 N ATOM 693 CA ARG A 45 -17.000 -11.431 -1.214 1.00 0.79 C ATOM 694 C ARG A 45 -16.006 -12.387 -0.600 1.00 0.79 C ATOM 695 O ARG A 45 -16.163 -12.837 0.531 1.00 0.90 O ATOM 696 CB ARG A 45 -18.013 -12.261 -2.018 1.00 0.94 C ATOM 697 CG ARG A 45 -19.216 -11.495 -2.537 1.00 1.54 C ATOM 698 CD ARG A 45 -20.179 -12.414 -3.268 1.00 1.86 C ATOM 699 NE ARG A 45 -19.523 -13.153 -4.343 1.00 2.25 N ATOM 700 CZ ARG A 45 -19.869 -14.380 -4.721 1.00 2.90 C ATOM 701 NH1 ARG A 45 -20.881 -15.003 -4.125 1.00 3.09 N ATOM 702 NH2 ARG A 45 -19.209 -14.981 -5.700 1.00 3.78 N ATOM 0 H ARG A 45 -15.331 -10.780 -2.288 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.539 -10.860 -0.458 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -17.497 -12.711 -2.866 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -18.367 -13.078 -1.390 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -19.730 -11.013 -1.705 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -18.884 -10.703 -3.209 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -20.617 -13.117 -2.560 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.999 -11.826 -3.681 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.752 -12.700 -4.834 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -21.395 -14.540 -3.375 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -21.144 -15.944 -4.417 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -18.436 -14.503 -6.163 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -19.474 -15.922 -5.991 1.00 3.78 H new ATOM 716 N GLN A 46 -14.974 -12.690 -1.367 1.00 0.80 N ATOM 717 CA GLN A 46 -13.981 -13.673 -0.948 1.00 0.94 C ATOM 718 C GLN A 46 -12.620 -13.016 -0.777 1.00 0.86 C ATOM 719 O GLN A 46 -12.248 -12.615 0.327 1.00 0.94 O ATOM 720 CB GLN A 46 -13.888 -14.811 -1.970 1.00 1.13 C ATOM 721 CG GLN A 46 -15.244 -15.297 -2.446 1.00 1.36 C ATOM 722 CD GLN A 46 -15.148 -16.391 -3.490 1.00 1.85 C ATOM 723 OE1 GLN A 46 -15.099 -16.119 -4.689 1.00 2.42 O ATOM 724 NE2 GLN A 46 -15.114 -17.636 -3.043 1.00 2.45 N ATOM 0 H GLN A 46 -14.799 -12.273 -2.281 1.00 0.80 H new ATOM 0 HA GLN A 46 -14.294 -14.087 0.011 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -13.308 -14.473 -2.829 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -13.345 -15.646 -1.527 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -15.812 -15.666 -1.592 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -15.801 -14.456 -2.859 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -15.157 -17.819 -2.041 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -15.045 -18.412 -3.701 1.00 2.45 H new ATOM 733 N SER A 47 -11.912 -12.877 -1.888 1.00 0.79 N ATOM 734 CA SER A 47 -10.610 -12.228 -1.915 1.00 0.80 C ATOM 735 C SER A 47 -10.070 -12.262 -3.344 1.00 0.82 C ATOM 736 O SER A 47 -9.228 -13.099 -3.679 1.00 0.93 O ATOM 737 CB SER A 47 -9.634 -12.937 -0.969 1.00 0.93 C ATOM 738 OG SER A 47 -8.558 -12.087 -0.612 1.00 1.58 O ATOM 0 H SER A 47 -12.225 -13.212 -2.799 1.00 0.79 H new ATOM 0 HA SER A 47 -10.716 -11.195 -1.583 1.00 0.80 H new ATOM 0 HB2 SER A 47 -10.162 -13.257 -0.071 1.00 0.93 H new ATOM 0 HB3 SER A 47 -9.247 -13.836 -1.448 1.00 0.93 H new ATOM 0 HG SER A 47 -7.772 -12.629 -0.390 1.00 1.58 H new ATOM 744 N ARG A 48 -10.587 -11.380 -4.198 1.00 0.81 N ATOM 745 CA ARG A 48 -10.150 -11.319 -5.590 1.00 0.90 C ATOM 746 C ARG A 48 -8.739 -10.757 -5.674 1.00 0.92 C ATOM 747 O ARG A 48 -7.992 -11.049 -6.614 1.00 1.64 O ATOM 748 CB ARG A 48 -11.103 -10.466 -6.436 1.00 0.95 C ATOM 749 CG ARG A 48 -10.715 -10.382 -7.906 1.00 1.22 C ATOM 750 CD ARG A 48 -10.751 -11.748 -8.571 1.00 1.72 C ATOM 751 NE ARG A 48 -10.200 -11.713 -9.926 1.00 2.25 N ATOM 752 CZ ARG A 48 -10.187 -12.756 -10.753 1.00 2.93 C ATOM 753 NH1 ARG A 48 -10.712 -13.918 -10.381 1.00 3.36 N ATOM 754 NH2 ARG A 48 -9.646 -12.641 -11.957 1.00 3.61 N ATOM 0 H ARG A 48 -11.306 -10.700 -3.951 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.158 -12.334 -5.988 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.109 -10.878 -6.359 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.138 -9.459 -6.021 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -11.395 -9.706 -8.425 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -9.714 -9.959 -7.996 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -10.186 -12.459 -7.968 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.780 -12.107 -8.607 1.00 1.72 H new ATOM 0 HE ARG A 48 -9.801 -10.835 -10.258 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -11.129 -14.016 -9.455 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -10.698 -14.712 -11.021 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -9.239 -11.753 -12.251 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -9.636 -13.441 -12.590 1.00 3.61 H new ATOM 768 N PHE A 49 -8.381 -9.950 -4.686 1.00 0.49 N ATOM 769 CA PHE A 49 -7.048 -9.382 -4.623 1.00 0.42 C ATOM 770 C PHE A 49 -6.009 -10.484 -4.466 1.00 0.59 C ATOM 771 O PHE A 49 -6.263 -11.538 -3.887 1.00 1.46 O ATOM 772 CB PHE A 49 -6.929 -8.379 -3.475 1.00 0.35 C ATOM 773 CG PHE A 49 -5.596 -7.694 -3.387 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.121 -6.916 -4.431 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.812 -7.846 -2.255 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.888 -6.298 -4.344 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.578 -7.232 -2.164 1.00 0.30 C ATOM 778 CZ PHE A 49 -3.115 -6.458 -3.209 1.00 0.37 C ATOM 0 H PHE A 49 -8.996 -9.676 -3.920 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.865 -8.852 -5.558 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.706 -7.623 -3.587 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.121 -8.896 -2.535 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.720 -6.792 -5.321 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.169 -8.451 -1.435 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.529 -5.691 -5.162 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.976 -7.357 -1.276 1.00 0.30 H new ATOM 0 HZ PHE A 49 -2.150 -5.978 -3.140 1.00 0.37 H new ATOM 788 N THR A 50 -4.836 -10.195 -4.959 1.00 0.46 N ATOM 789 CA THR A 50 -3.732 -11.135 -4.996 1.00 0.42 C ATOM 790 C THR A 50 -2.442 -10.381 -4.732 1.00 0.47 C ATOM 791 O THR A 50 -2.327 -9.207 -5.087 1.00 0.84 O ATOM 792 CB THR A 50 -3.648 -11.856 -6.361 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.084 -10.980 -7.408 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.481 -13.133 -6.379 1.00 0.82 C ATOM 0 H THR A 50 -4.609 -9.283 -5.356 1.00 0.46 H new ATOM 0 HA THR A 50 -3.892 -11.895 -4.231 1.00 0.42 H new ATOM 0 HB THR A 50 -2.606 -12.132 -6.523 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.026 -11.445 -8.269 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.395 -13.610 -7.355 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.119 -13.815 -5.609 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.525 -12.889 -6.185 1.00 0.82 H new ATOM 802 N MET A 51 -1.495 -11.030 -4.083 1.00 0.25 N ATOM 803 CA MET A 51 -0.255 -10.360 -3.717 1.00 0.24 C ATOM 804 C MET A 51 0.590 -10.035 -4.933 1.00 0.26 C ATOM 805 O MET A 51 0.723 -10.827 -5.868 1.00 0.29 O ATOM 806 CB MET A 51 0.573 -11.178 -2.728 1.00 0.25 C ATOM 807 CG MET A 51 1.173 -12.447 -3.303 1.00 0.31 C ATOM 808 SD MET A 51 1.907 -13.490 -2.029 1.00 0.50 S ATOM 809 CE MET A 51 0.593 -13.531 -0.809 1.00 1.00 C ATOM 0 H MET A 51 -1.555 -12.008 -3.800 1.00 0.25 H new ATOM 0 HA MET A 51 -0.550 -9.429 -3.233 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.379 -10.552 -2.345 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.057 -11.442 -1.879 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.399 -13.007 -3.828 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.933 -12.186 -4.039 1.00 0.31 H new ATOM 0 HE1 MET A 51 0.661 -14.453 -0.232 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.691 -12.676 -0.140 1.00 1.00 H new ATOM 0 HE3 MET A 51 -0.373 -13.488 -1.313 1.00 1.00 H new ATOM 819 N TYR A 52 1.140 -8.848 -4.890 1.00 0.28 N ATOM 820 CA TYR A 52 2.097 -8.388 -5.863 1.00 0.32 C ATOM 821 C TYR A 52 3.287 -7.823 -5.117 1.00 0.30 C ATOM 822 O TYR A 52 3.323 -7.872 -3.887 1.00 0.30 O ATOM 823 CB TYR A 52 1.489 -7.353 -6.825 1.00 0.42 C ATOM 824 CG TYR A 52 0.627 -6.271 -6.201 1.00 0.48 C ATOM 825 CD1 TYR A 52 0.996 -5.608 -5.035 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.557 -5.892 -6.818 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.204 -4.606 -4.503 1.00 0.61 C ATOM 828 CE2 TYR A 52 -1.354 -4.895 -6.291 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.969 -4.254 -5.136 1.00 0.71 C ATOM 830 OH TYR A 52 -1.763 -3.259 -4.610 1.00 0.85 O ATOM 0 H TYR A 52 0.931 -8.162 -4.164 1.00 0.28 H new ATOM 0 HA TYR A 52 2.412 -9.224 -6.488 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.303 -6.871 -7.366 1.00 0.42 H new ATOM 0 HB3 TYR A 52 0.888 -7.885 -7.562 1.00 0.42 H new ATOM 0 HD1 TYR A 52 1.915 -5.880 -4.537 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.861 -6.387 -7.729 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.503 -4.102 -3.596 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -2.275 -4.620 -6.783 1.00 0.72 H new ATOM 0 HH TYR A 52 -2.551 -3.135 -5.179 1.00 0.85 H new ATOM 840 N SER A 53 4.272 -7.317 -5.819 1.00 0.33 N ATOM 841 CA SER A 53 5.425 -6.781 -5.131 1.00 0.33 C ATOM 842 C SER A 53 5.353 -5.267 -5.077 1.00 0.37 C ATOM 843 O SER A 53 4.908 -4.624 -6.019 1.00 0.52 O ATOM 844 CB SER A 53 6.731 -7.173 -5.830 1.00 0.40 C ATOM 845 OG SER A 53 6.789 -6.622 -7.138 1.00 0.93 O ATOM 0 H SER A 53 4.302 -7.264 -6.837 1.00 0.33 H new ATOM 0 HA SER A 53 5.417 -7.198 -4.124 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.581 -6.822 -5.245 1.00 0.40 H new ATOM 0 HB3 SER A 53 6.808 -8.259 -5.884 1.00 0.40 H new ATOM 0 HG SER A 53 7.081 -5.688 -7.087 1.00 0.93 H new ATOM 851 N THR A 54 5.731 -4.704 -3.949 1.00 0.31 N ATOM 852 CA THR A 54 6.134 -3.318 -3.915 1.00 0.33 C ATOM 853 C THR A 54 7.588 -3.308 -3.497 1.00 0.29 C ATOM 854 O THR A 54 7.920 -3.487 -2.327 1.00 0.27 O ATOM 855 CB THR A 54 5.286 -2.485 -2.939 1.00 0.37 C ATOM 856 OG1 THR A 54 3.933 -2.956 -2.964 1.00 0.43 O ATOM 857 CG2 THR A 54 5.306 -1.012 -3.337 1.00 0.43 C ATOM 0 H THR A 54 5.767 -5.183 -3.049 1.00 0.31 H new ATOM 0 HA THR A 54 5.990 -2.863 -4.895 1.00 0.33 H new ATOM 0 HB THR A 54 5.703 -2.589 -1.937 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.458 -2.628 -2.172 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.701 -0.437 -2.636 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.332 -0.644 -3.318 1.00 0.43 H new ATOM 0 HG23 THR A 54 4.900 -0.901 -4.342 1.00 0.43 H new ATOM 865 N ILE A 55 8.451 -3.136 -4.472 1.00 0.30 N ATOM 866 CA ILE A 55 9.874 -3.263 -4.252 1.00 0.28 C ATOM 867 C ILE A 55 10.542 -1.931 -4.481 1.00 0.24 C ATOM 868 O ILE A 55 10.788 -1.535 -5.619 1.00 0.26 O ATOM 869 CB ILE A 55 10.475 -4.337 -5.177 1.00 0.34 C ATOM 870 CG1 ILE A 55 9.759 -5.671 -4.936 1.00 0.50 C ATOM 871 CG2 ILE A 55 11.971 -4.465 -4.937 1.00 0.32 C ATOM 872 CD1 ILE A 55 10.081 -6.750 -5.947 1.00 0.72 C ATOM 0 H ILE A 55 8.190 -2.906 -5.431 1.00 0.30 H new ATOM 0 HA ILE A 55 10.046 -3.575 -3.222 1.00 0.28 H new ATOM 0 HB ILE A 55 10.331 -4.045 -6.217 1.00 0.34 H new ATOM 0 HG12 ILE A 55 10.019 -6.034 -3.942 1.00 0.50 H new ATOM 0 HG13 ILE A 55 8.683 -5.497 -4.940 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.382 -5.228 -5.598 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.455 -3.510 -5.140 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.150 -4.749 -3.900 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.531 -7.657 -5.698 1.00 0.72 H new ATOM 0 HD12 ILE A 55 9.794 -6.413 -6.943 1.00 0.72 H new ATOM 0 HD13 ILE A 55 11.151 -6.958 -5.929 1.00 0.72 H new ATOM 884 N TYR A 56 10.808 -1.234 -3.398 1.00 0.25 N ATOM 885 CA TYR A 56 11.290 0.125 -3.483 1.00 0.27 C ATOM 886 C TYR A 56 12.803 0.138 -3.603 1.00 0.30 C ATOM 887 O TYR A 56 13.511 -0.240 -2.670 1.00 0.36 O ATOM 888 CB TYR A 56 10.855 0.938 -2.264 1.00 0.32 C ATOM 889 CG TYR A 56 9.762 0.295 -1.429 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.425 0.320 -1.819 1.00 0.32 C ATOM 891 CD2 TYR A 56 10.075 -0.324 -0.226 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.443 -0.251 -1.033 1.00 0.43 C ATOM 893 CE2 TYR A 56 9.097 -0.899 0.558 1.00 1.01 C ATOM 894 CZ TYR A 56 7.783 -0.861 0.152 1.00 0.79 C ATOM 895 OH TYR A 56 6.805 -1.433 0.931 1.00 1.02 O ATOM 0 H TYR A 56 10.698 -1.587 -2.448 1.00 0.25 H new ATOM 0 HA TYR A 56 10.857 0.583 -4.372 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.725 1.109 -1.630 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.509 1.915 -2.601 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.152 0.793 -2.751 1.00 0.32 H new ATOM 0 HD2 TYR A 56 11.104 -0.356 0.102 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.411 -0.219 -1.348 1.00 0.43 H new ATOM 0 HE2 TYR A 56 9.362 -1.378 1.489 1.00 1.01 H new ATOM 0 HH TYR A 56 7.183 -2.188 1.428 1.00 1.02 H new ATOM 905 N GLU A 57 13.286 0.556 -4.757 1.00 0.33 N ATOM 906 CA GLU A 57 14.714 0.635 -5.003 1.00 0.41 C ATOM 907 C GLU A 57 15.183 2.073 -4.844 1.00 0.36 C ATOM 908 O GLU A 57 14.950 2.921 -5.708 1.00 0.42 O ATOM 909 CB GLU A 57 15.050 0.100 -6.396 1.00 0.52 C ATOM 910 CG GLU A 57 14.758 -1.384 -6.563 1.00 1.13 C ATOM 911 CD GLU A 57 15.719 -2.275 -5.792 1.00 1.56 C ATOM 912 OE1 GLU A 57 15.768 -2.186 -4.547 1.00 2.33 O ATOM 913 OE2 GLU A 57 16.413 -3.094 -6.431 1.00 1.84 O ATOM 0 H GLU A 57 12.707 0.848 -5.544 1.00 0.33 H new ATOM 0 HA GLU A 57 15.236 0.015 -4.274 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.481 0.660 -7.138 1.00 0.52 H new ATOM 0 HB3 GLU A 57 16.105 0.280 -6.601 1.00 0.52 H new ATOM 0 HG2 GLU A 57 13.740 -1.587 -6.231 1.00 1.13 H new ATOM 0 HG3 GLU A 57 14.805 -1.640 -7.621 1.00 1.13 H new ATOM 920 N LEU A 58 15.815 2.333 -3.714 1.00 0.41 N ATOM 921 CA LEU A 58 16.298 3.659 -3.366 1.00 0.42 C ATOM 922 C LEU A 58 17.373 4.127 -4.340 1.00 0.43 C ATOM 923 O LEU A 58 18.331 3.405 -4.620 1.00 0.60 O ATOM 924 CB LEU A 58 16.833 3.628 -1.933 1.00 0.62 C ATOM 925 CG LEU A 58 17.663 4.833 -1.487 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.863 6.120 -1.577 1.00 1.24 C ATOM 927 CD2 LEU A 58 18.140 4.619 -0.070 1.00 1.24 C ATOM 0 H LEU A 58 16.010 1.625 -3.006 1.00 0.41 H new ATOM 0 HA LEU A 58 15.475 4.371 -3.432 1.00 0.42 H new ATOM 0 HB2 LEU A 58 15.986 3.528 -1.255 1.00 0.62 H new ATOM 0 HB3 LEU A 58 17.443 2.732 -1.816 1.00 0.62 H new ATOM 0 HG LEU A 58 18.520 4.926 -2.155 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.482 6.957 -1.253 1.00 1.24 H new ATOM 0 HD12 LEU A 58 16.547 6.280 -2.608 1.00 1.24 H new ATOM 0 HD13 LEU A 58 15.985 6.048 -0.935 1.00 1.24 H new ATOM 0 HD21 LEU A 58 18.732 5.477 0.248 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.280 4.506 0.590 1.00 1.24 H new ATOM 0 HD23 LEU A 58 18.753 3.719 -0.025 1.00 1.24 H new ATOM 939 N GLN A 59 17.195 5.332 -4.867 1.00 0.37 N ATOM 940 CA GLN A 59 18.161 5.916 -5.774 1.00 0.48 C ATOM 941 C GLN A 59 18.934 7.018 -5.072 1.00 0.57 C ATOM 942 O GLN A 59 18.729 7.254 -3.882 1.00 0.58 O ATOM 943 CB GLN A 59 17.462 6.472 -7.012 1.00 0.53 C ATOM 944 CG GLN A 59 16.788 5.402 -7.856 1.00 1.13 C ATOM 945 CD GLN A 59 17.779 4.427 -8.464 1.00 1.75 C ATOM 946 OE1 GLN A 59 18.120 3.409 -7.863 1.00 2.50 O ATOM 947 NE2 GLN A 59 18.244 4.727 -9.664 1.00 2.33 N ATOM 0 H GLN A 59 16.385 5.922 -4.677 1.00 0.37 H new ATOM 0 HA GLN A 59 18.858 5.139 -6.088 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.716 7.203 -6.701 1.00 0.53 H new ATOM 0 HB3 GLN A 59 18.191 7.002 -7.625 1.00 0.53 H new ATOM 0 HG2 GLN A 59 16.076 4.853 -7.239 1.00 1.13 H new ATOM 0 HG3 GLN A 59 16.218 5.879 -8.653 1.00 1.13 H new ATOM 0 HE21 GLN A 59 17.938 5.581 -10.131 1.00 2.33 H new ATOM 0 HE22 GLN A 59 18.909 4.105 -10.123 1.00 2.33 H new ATOM 956 N GLU A 60 19.795 7.701 -5.806 1.00 0.69 N ATOM 957 CA GLU A 60 20.645 8.738 -5.233 1.00 0.82 C ATOM 958 C GLU A 60 19.848 9.797 -4.461 1.00 0.75 C ATOM 959 O GLU A 60 20.327 10.328 -3.458 1.00 0.89 O ATOM 960 CB GLU A 60 21.465 9.411 -6.335 1.00 1.05 C ATOM 961 CG GLU A 60 20.614 9.991 -7.451 1.00 1.11 C ATOM 962 CD GLU A 60 21.429 10.766 -8.459 1.00 1.47 C ATOM 963 OE1 GLU A 60 21.923 10.148 -9.423 1.00 1.73 O ATOM 964 OE2 GLU A 60 21.588 11.989 -8.288 1.00 1.79 O ATOM 0 H GLU A 60 19.927 7.557 -6.807 1.00 0.69 H new ATOM 0 HA GLU A 60 21.307 8.248 -4.520 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.066 10.207 -5.896 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.158 8.684 -6.757 1.00 1.05 H new ATOM 0 HG2 GLU A 60 20.087 9.183 -7.959 1.00 1.11 H new ATOM 0 HG3 GLU A 60 19.855 10.646 -7.022 1.00 1.11 H new ATOM 971 N ASP A 61 18.623 10.082 -4.895 1.00 0.64 N ATOM 972 CA ASP A 61 17.877 11.197 -4.321 1.00 0.70 C ATOM 973 C ASP A 61 16.569 10.714 -3.717 1.00 0.54 C ATOM 974 O ASP A 61 15.524 11.319 -3.922 1.00 0.50 O ATOM 975 CB ASP A 61 17.620 12.275 -5.379 1.00 0.92 C ATOM 976 CG ASP A 61 17.193 13.592 -4.763 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.011 14.207 -4.049 1.00 1.41 O ATOM 978 OD2 ASP A 61 16.037 14.012 -4.978 1.00 1.26 O ATOM 0 H ASP A 61 18.134 9.568 -5.628 1.00 0.64 H new ATOM 0 HA ASP A 61 18.477 11.636 -3.524 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.525 12.427 -5.967 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.848 11.930 -6.066 1.00 0.92 H new ATOM 983 N ASN A 62 16.655 9.577 -3.020 1.00 0.52 N ATOM 984 CA ASN A 62 15.543 8.957 -2.261 1.00 0.46 C ATOM 985 C ASN A 62 14.276 8.712 -3.077 1.00 0.36 C ATOM 986 O ASN A 62 13.281 8.236 -2.541 1.00 0.41 O ATOM 987 CB ASN A 62 15.206 9.700 -0.947 1.00 0.57 C ATOM 988 CG ASN A 62 14.674 11.119 -1.106 1.00 0.70 C ATOM 989 OD1 ASN A 62 13.824 11.398 -1.949 1.00 1.36 O ATOM 990 ND2 ASN A 62 15.172 12.032 -0.285 1.00 1.35 N ATOM 0 H ASN A 62 17.521 9.041 -2.961 1.00 0.52 H new ATOM 0 HA ASN A 62 15.939 7.976 -1.999 1.00 0.46 H new ATOM 0 HB2 ASN A 62 14.467 9.114 -0.400 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.105 9.736 -0.331 1.00 0.57 H new ATOM 0 HD21 ASN A 62 14.851 12.998 -0.342 1.00 1.35 H new ATOM 0 HD22 ASN A 62 15.877 11.768 0.404 1.00 1.35 H new ATOM 997 N SER A 63 14.303 9.007 -4.360 1.00 0.34 N ATOM 998 CA SER A 63 13.221 8.608 -5.221 1.00 0.30 C ATOM 999 C SER A 63 13.357 7.119 -5.473 1.00 0.29 C ATOM 1000 O SER A 63 14.339 6.667 -6.059 1.00 0.31 O ATOM 1001 CB SER A 63 13.241 9.408 -6.528 1.00 0.35 C ATOM 1002 OG SER A 63 14.491 9.301 -7.189 1.00 0.96 O ATOM 0 H SER A 63 15.056 9.517 -4.822 1.00 0.34 H new ATOM 0 HA SER A 63 12.261 8.813 -4.748 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.449 9.050 -7.186 1.00 0.35 H new ATOM 0 HB3 SER A 63 13.030 10.456 -6.316 1.00 0.35 H new ATOM 0 HG SER A 63 14.848 8.396 -7.069 1.00 0.96 H new ATOM 1008 N TYR A 64 12.397 6.350 -5.007 1.00 0.28 N ATOM 1009 CA TYR A 64 12.493 4.914 -5.117 1.00 0.28 C ATOM 1010 C TYR A 64 11.915 4.484 -6.444 1.00 0.29 C ATOM 1011 O TYR A 64 10.830 4.923 -6.825 1.00 0.30 O ATOM 1012 CB TYR A 64 11.698 4.221 -3.992 1.00 0.28 C ATOM 1013 CG TYR A 64 12.065 4.631 -2.572 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.351 5.036 -2.232 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.106 4.596 -1.568 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.670 5.395 -0.927 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.414 4.953 -0.269 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.696 5.352 0.047 1.00 0.42 C ATOM 1019 OH TYR A 64 13.006 5.704 1.342 1.00 0.49 O ATOM 0 H TYR A 64 11.550 6.692 -4.553 1.00 0.28 H new ATOM 0 HA TYR A 64 13.542 4.630 -5.038 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.638 4.422 -4.145 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.835 3.144 -4.086 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.115 5.072 -2.994 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.100 4.284 -1.807 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.674 5.705 -0.678 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.653 4.920 0.497 1.00 0.45 H new ATOM 0 HH TYR A 64 12.208 5.620 1.904 1.00 0.49 H new ATOM 1029 N ASN A 65 12.634 3.636 -7.152 1.00 0.32 N ATOM 1030 CA ASN A 65 12.067 2.994 -8.313 1.00 0.36 C ATOM 1031 C ASN A 65 11.420 1.726 -7.836 1.00 0.32 C ATOM 1032 O ASN A 65 12.079 0.711 -7.617 1.00 0.37 O ATOM 1033 CB ASN A 65 13.125 2.697 -9.380 1.00 0.48 C ATOM 1034 CG ASN A 65 13.702 3.962 -9.993 1.00 1.24 C ATOM 1035 OD1 ASN A 65 13.033 4.996 -10.074 1.00 2.02 O ATOM 1036 ND2 ASN A 65 14.949 3.890 -10.437 1.00 1.96 N ATOM 0 H ASN A 65 13.599 3.380 -6.945 1.00 0.32 H new ATOM 0 HA ASN A 65 11.341 3.654 -8.787 1.00 0.36 H new ATOM 0 HB2 ASN A 65 13.930 2.112 -8.936 1.00 0.48 H new ATOM 0 HB3 ASN A 65 12.682 2.085 -10.166 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.387 4.707 -10.863 1.00 1.96 H new ATOM 0 HD22 ASN A 65 15.471 3.018 -10.353 1.00 1.96 H new ATOM 1043 N VAL A 66 10.126 1.794 -7.656 1.00 0.31 N ATOM 1044 CA VAL A 66 9.415 0.744 -6.985 1.00 0.29 C ATOM 1045 C VAL A 66 8.826 -0.209 -7.988 1.00 0.31 C ATOM 1046 O VAL A 66 8.131 0.193 -8.918 1.00 0.37 O ATOM 1047 CB VAL A 66 8.307 1.291 -6.086 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.882 0.216 -5.099 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.784 2.556 -5.378 1.00 0.65 C ATOM 0 H VAL A 66 9.543 2.571 -7.968 1.00 0.31 H new ATOM 0 HA VAL A 66 10.132 0.218 -6.355 1.00 0.29 H new ATOM 0 HB VAL A 66 7.439 1.562 -6.687 1.00 0.37 H new ATOM 0 HG11 VAL A 66 7.092 0.604 -4.456 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.513 -0.653 -5.644 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.736 -0.075 -4.488 1.00 0.67 H new ATOM 0 HG21 VAL A 66 7.987 2.938 -4.740 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.658 2.324 -4.769 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.048 3.310 -6.119 1.00 0.65 H new ATOM 1059 N THR A 67 9.091 -1.473 -7.776 1.00 0.34 N ATOM 1060 CA THR A 67 8.763 -2.479 -8.752 1.00 0.39 C ATOM 1061 C THR A 67 7.522 -3.242 -8.311 1.00 0.47 C ATOM 1062 O THR A 67 7.575 -4.021 -7.355 1.00 0.71 O ATOM 1063 CB THR A 67 9.936 -3.459 -8.929 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.175 -2.736 -8.861 1.00 0.58 O ATOM 1065 CG2 THR A 67 9.845 -4.176 -10.266 1.00 0.74 C ATOM 0 H THR A 67 9.536 -1.831 -6.931 1.00 0.34 H new ATOM 0 HA THR A 67 8.568 -1.988 -9.705 1.00 0.39 H new ATOM 0 HB THR A 67 9.891 -4.202 -8.132 1.00 0.48 H new ATOM 0 HG1 THR A 67 11.924 -3.359 -8.972 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.685 -4.863 -10.368 1.00 0.74 H new ATOM 0 HG22 THR A 67 8.911 -4.735 -10.316 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.874 -3.445 -11.074 1.00 0.74 H new ATOM 1073 N SER A 68 6.406 -2.995 -8.977 1.00 0.44 N ATOM 1074 CA SER A 68 5.158 -3.651 -8.637 1.00 0.52 C ATOM 1075 C SER A 68 4.774 -4.643 -9.725 1.00 0.53 C ATOM 1076 O SER A 68 4.232 -4.268 -10.760 1.00 0.65 O ATOM 1077 CB SER A 68 4.048 -2.615 -8.436 1.00 0.60 C ATOM 1078 OG SER A 68 2.929 -3.183 -7.776 1.00 1.14 O ATOM 0 H SER A 68 6.341 -2.343 -9.758 1.00 0.44 H new ATOM 0 HA SER A 68 5.291 -4.196 -7.702 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.430 -1.777 -7.853 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.740 -2.217 -9.403 1.00 0.60 H new ATOM 0 HG SER A 68 3.238 -3.778 -7.062 1.00 1.14 H new ATOM 1084 N ILE A 69 5.079 -5.907 -9.503 1.00 0.53 N ATOM 1085 CA ILE A 69 4.793 -6.932 -10.491 1.00 0.53 C ATOM 1086 C ILE A 69 3.353 -7.420 -10.390 1.00 0.60 C ATOM 1087 O ILE A 69 2.866 -7.755 -9.317 1.00 0.74 O ATOM 1088 CB ILE A 69 5.769 -8.124 -10.371 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.487 -9.136 -11.475 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.663 -8.792 -8.998 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.587 -10.154 -11.658 1.00 0.78 C ATOM 0 H ILE A 69 5.523 -6.249 -8.651 1.00 0.53 H new ATOM 0 HA ILE A 69 4.931 -6.474 -11.470 1.00 0.53 H new ATOM 0 HB ILE A 69 6.786 -7.746 -10.480 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.556 -9.656 -11.250 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.336 -8.604 -12.414 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.362 -9.627 -8.945 1.00 0.57 H new ATOM 0 HG22 ILE A 69 5.904 -8.067 -8.221 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.647 -9.159 -8.849 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.317 -10.841 -12.460 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.516 -9.644 -11.914 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.723 -10.713 -10.732 1.00 0.78 H new ATOM 1103 N LEU A 70 2.684 -7.450 -11.530 1.00 0.56 N ATOM 1104 CA LEU A 70 1.294 -7.864 -11.608 1.00 0.64 C ATOM 1105 C LEU A 70 1.074 -8.744 -12.832 1.00 0.64 C ATOM 1106 O LEU A 70 1.893 -8.757 -13.753 1.00 0.67 O ATOM 1107 CB LEU A 70 0.364 -6.638 -11.655 1.00 0.74 C ATOM 1108 CG LEU A 70 1.047 -5.263 -11.762 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.624 -5.022 -13.153 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.065 -4.162 -11.401 1.00 1.18 C ATOM 0 H LEU A 70 3.090 -7.188 -12.428 1.00 0.56 H new ATOM 0 HA LEU A 70 1.055 -8.441 -10.715 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.309 -6.752 -12.505 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.254 -6.643 -10.757 1.00 0.74 H new ATOM 0 HG LEU A 70 1.878 -5.251 -11.056 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.097 -4.040 -13.186 1.00 0.96 H new ATOM 0 HD12 LEU A 70 2.365 -5.789 -13.378 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.823 -5.064 -13.891 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.559 -3.194 -11.480 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.784 -4.193 -12.084 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.286 -4.308 -10.379 1.00 1.18 H new ATOM 1122 N VAL A 71 -0.019 -9.496 -12.831 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.331 -10.378 -13.947 1.00 0.74 C ATOM 1124 C VAL A 71 -1.210 -9.649 -14.945 1.00 0.83 C ATOM 1125 O VAL A 71 -2.414 -9.499 -14.739 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.052 -11.665 -13.499 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.956 -12.726 -14.580 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.484 -12.177 -12.193 1.00 0.84 C ATOM 0 H VAL A 71 -0.701 -9.513 -12.073 1.00 0.70 H new ATOM 0 HA VAL A 71 0.618 -10.664 -14.401 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.104 -11.430 -13.337 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.469 -13.629 -14.250 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.422 -12.357 -15.494 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.092 -12.955 -14.773 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.010 -13.085 -11.899 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.576 -12.396 -12.318 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.609 -11.419 -11.420 1.00 0.84 H new ATOM 1138 N ARG A 72 -0.605 -9.205 -16.027 1.00 0.83 N ATOM 1139 CA ARG A 72 -1.299 -8.377 -16.994 1.00 0.95 C ATOM 1140 C ARG A 72 -1.644 -9.197 -18.229 1.00 1.12 C ATOM 1141 O ARG A 72 -1.031 -9.042 -19.287 1.00 1.43 O ATOM 1142 CB ARG A 72 -0.426 -7.174 -17.360 1.00 1.03 C ATOM 1143 CG ARG A 72 0.253 -6.549 -16.147 1.00 1.02 C ATOM 1144 CD ARG A 72 0.917 -5.218 -16.466 1.00 1.01 C ATOM 1145 NE ARG A 72 1.720 -5.269 -17.689 1.00 1.53 N ATOM 1146 CZ ARG A 72 2.263 -4.198 -18.268 1.00 2.19 C ATOM 1147 NH1 ARG A 72 2.094 -2.992 -17.737 1.00 2.48 N ATOM 1148 NH2 ARG A 72 2.968 -4.337 -19.382 1.00 2.99 N ATOM 0 H ARG A 72 0.368 -9.404 -16.260 1.00 0.83 H new ATOM 0 HA ARG A 72 -2.229 -8.011 -16.560 1.00 0.95 H new ATOM 0 HB2 ARG A 72 0.334 -7.486 -18.076 1.00 1.03 H new ATOM 0 HB3 ARG A 72 -1.040 -6.422 -17.855 1.00 1.03 H new ATOM 0 HG2 ARG A 72 -0.485 -6.402 -15.358 1.00 1.02 H new ATOM 0 HG3 ARG A 72 1.001 -7.240 -15.759 1.00 1.02 H new ATOM 0 HD2 ARG A 72 0.151 -4.450 -16.570 1.00 1.01 H new ATOM 0 HD3 ARG A 72 1.552 -4.923 -15.631 1.00 1.01 H new ATOM 0 HE ARG A 72 1.873 -6.179 -18.124 1.00 1.53 H new ATOM 0 HH11 ARG A 72 1.547 -2.883 -16.883 1.00 2.48 H new ATOM 0 HH12 ARG A 72 2.511 -2.175 -18.183 1.00 2.48 H new ATOM 0 HH21 ARG A 72 3.094 -5.262 -19.794 1.00 2.99 H new ATOM 0 HH22 ARG A 72 3.385 -3.519 -19.827 1.00 2.99 H new ATOM 1162 N GLY A 73 -2.620 -10.081 -18.078 1.00 1.41 N ATOM 1163 CA GLY A 73 -3.018 -10.944 -19.168 1.00 1.65 C ATOM 1164 C GLY A 73 -2.573 -12.373 -18.950 1.00 1.69 C ATOM 1165 O GLY A 73 -2.930 -13.000 -17.949 1.00 2.28 O ATOM 0 H GLY A 73 -3.145 -10.215 -17.214 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -4.102 -10.914 -19.277 1.00 1.65 H new ATOM 0 HA3 GLY A 73 -2.594 -10.570 -20.100 1.00 1.65 H new ATOM 1169 N GLN A 74 -1.772 -12.882 -19.870 1.00 1.63 N ATOM 1170 CA GLN A 74 -1.290 -14.253 -19.791 1.00 1.87 C ATOM 1171 C GLN A 74 0.166 -14.299 -19.342 1.00 1.45 C ATOM 1172 O GLN A 74 0.911 -15.202 -19.720 1.00 1.77 O ATOM 1173 CB GLN A 74 -1.426 -14.946 -21.146 1.00 2.56 C ATOM 1174 CG GLN A 74 -2.861 -15.241 -21.548 1.00 3.31 C ATOM 1175 CD GLN A 74 -2.948 -15.959 -22.880 1.00 4.11 C ATOM 1176 OE1 GLN A 74 -2.027 -16.677 -23.273 1.00 4.39 O ATOM 1177 NE2 GLN A 74 -4.060 -15.795 -23.575 1.00 4.91 N ATOM 0 H GLN A 74 -1.440 -12.365 -20.684 1.00 1.63 H new ATOM 0 HA GLN A 74 -1.900 -14.775 -19.054 1.00 1.87 H new ATOM 0 HB2 GLN A 74 -0.967 -14.319 -21.911 1.00 2.56 H new ATOM 0 HB3 GLN A 74 -0.867 -15.881 -21.122 1.00 2.56 H new ATOM 0 HG2 GLN A 74 -3.334 -15.850 -20.778 1.00 3.31 H new ATOM 0 HG3 GLN A 74 -3.420 -14.307 -21.604 1.00 3.31 H new ATOM 0 HE21 GLN A 74 -4.801 -15.192 -23.217 1.00 4.91 H new ATOM 0 HE22 GLN A 74 -4.177 -16.271 -24.469 1.00 4.91 H new ATOM 1186 N GLY A 75 0.578 -13.324 -18.549 1.00 0.97 N ATOM 1187 CA GLY A 75 1.942 -13.314 -18.072 1.00 0.88 C ATOM 1188 C GLY A 75 2.135 -12.420 -16.869 1.00 0.81 C ATOM 1189 O GLY A 75 1.204 -11.746 -16.431 1.00 0.81 O ATOM 0 H GLY A 75 -0.001 -12.547 -18.230 1.00 0.97 H new ATOM 0 HA2 GLY A 75 2.240 -14.331 -17.815 1.00 0.88 H new ATOM 0 HA3 GLY A 75 2.600 -12.982 -18.875 1.00 0.88 H new ATOM 1193 N CYS A 76 3.358 -12.372 -16.372 1.00 0.79 N ATOM 1194 CA CYS A 76 3.682 -11.586 -15.197 1.00 0.73 C ATOM 1195 C CYS A 76 4.559 -10.419 -15.635 1.00 0.75 C ATOM 1196 O CYS A 76 5.442 -10.591 -16.473 1.00 0.92 O ATOM 1197 CB CYS A 76 4.440 -12.454 -14.183 1.00 0.78 C ATOM 1198 SG CYS A 76 5.984 -13.180 -14.841 1.00 1.26 S ATOM 0 H CYS A 76 4.151 -12.875 -16.770 1.00 0.79 H new ATOM 0 HA CYS A 76 2.771 -11.218 -14.726 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.678 -11.850 -13.308 1.00 0.78 H new ATOM 0 HB3 CYS A 76 3.786 -13.258 -13.847 1.00 0.78 H new ATOM 1203 N ARG A 77 4.306 -9.231 -15.113 1.00 0.65 N ATOM 1204 CA ARG A 77 5.036 -8.051 -15.556 1.00 0.67 C ATOM 1205 C ARG A 77 5.339 -7.121 -14.395 1.00 0.57 C ATOM 1206 O ARG A 77 4.483 -6.880 -13.544 1.00 0.56 O ATOM 1207 CB ARG A 77 4.212 -7.299 -16.591 1.00 0.79 C ATOM 1208 CG ARG A 77 4.935 -6.130 -17.233 1.00 1.22 C ATOM 1209 CD ARG A 77 5.992 -6.592 -18.218 1.00 1.46 C ATOM 1210 NE ARG A 77 6.608 -5.462 -18.908 1.00 2.14 N ATOM 1211 CZ ARG A 77 6.960 -5.470 -20.192 1.00 2.81 C ATOM 1212 NH1 ARG A 77 6.727 -6.542 -20.943 1.00 3.04 N ATOM 1213 NH2 ARG A 77 7.523 -4.397 -20.730 1.00 3.68 N ATOM 0 H ARG A 77 3.609 -9.056 -14.389 1.00 0.65 H new ATOM 0 HA ARG A 77 5.979 -8.383 -15.991 1.00 0.67 H new ATOM 0 HB2 ARG A 77 3.907 -7.996 -17.372 1.00 0.79 H new ATOM 0 HB3 ARG A 77 3.301 -6.932 -16.117 1.00 0.79 H new ATOM 0 HG2 ARG A 77 4.213 -5.494 -17.746 1.00 1.22 H new ATOM 0 HG3 ARG A 77 5.402 -5.522 -16.458 1.00 1.22 H new ATOM 0 HD2 ARG A 77 6.759 -7.160 -17.691 1.00 1.46 H new ATOM 0 HD3 ARG A 77 5.542 -7.265 -18.948 1.00 1.46 H new ATOM 0 HE ARG A 77 6.780 -4.612 -18.372 1.00 2.14 H new ATOM 0 HH11 ARG A 77 6.277 -7.362 -20.536 1.00 3.04 H new ATOM 0 HH12 ARG A 77 6.998 -6.545 -21.926 1.00 3.04 H new ATOM 0 HH21 ARG A 77 7.686 -3.567 -20.160 1.00 3.68 H new ATOM 0 HH22 ARG A 77 7.793 -4.402 -21.714 1.00 3.68 H new ATOM 1227 N TYR A 78 6.549 -6.589 -14.376 1.00 0.56 N ATOM 1228 CA TYR A 78 6.936 -5.619 -13.364 1.00 0.48 C ATOM 1229 C TYR A 78 6.475 -4.230 -13.781 1.00 0.47 C ATOM 1230 O TYR A 78 6.916 -3.703 -14.802 1.00 0.53 O ATOM 1231 CB TYR A 78 8.458 -5.601 -13.146 1.00 0.47 C ATOM 1232 CG TYR A 78 9.032 -6.880 -12.571 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.652 -7.333 -11.314 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.954 -7.633 -13.285 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.174 -8.499 -10.785 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.481 -8.799 -12.763 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.087 -9.228 -11.515 1.00 0.70 C ATOM 1238 OH TYR A 78 10.615 -10.389 -10.995 1.00 0.80 O ATOM 0 H TYR A 78 7.281 -6.812 -15.050 1.00 0.56 H new ATOM 0 HA TYR A 78 6.460 -5.910 -12.428 1.00 0.48 H new ATOM 0 HB2 TYR A 78 8.945 -5.397 -14.099 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.706 -4.776 -12.478 1.00 0.47 H new ATOM 0 HD1 TYR A 78 7.936 -6.764 -10.740 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.265 -7.302 -14.265 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.868 -8.836 -9.806 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.199 -9.372 -13.331 1.00 0.79 H new ATOM 0 HH TYR A 78 11.242 -10.780 -11.638 1.00 0.80 H new ATOM 1248 N TRP A 79 5.569 -3.655 -13.019 1.00 0.47 N ATOM 1249 CA TRP A 79 5.150 -2.286 -13.244 1.00 0.51 C ATOM 1250 C TRP A 79 5.905 -1.389 -12.272 1.00 0.46 C ATOM 1251 O TRP A 79 5.634 -1.388 -11.074 1.00 0.45 O ATOM 1252 CB TRP A 79 3.636 -2.166 -13.043 1.00 0.61 C ATOM 1253 CG TRP A 79 3.034 -0.879 -13.542 1.00 0.72 C ATOM 1254 CD1 TRP A 79 1.858 -0.324 -13.127 1.00 1.33 C ATOM 1255 CD2 TRP A 79 3.565 0.013 -14.540 1.00 1.44 C ATOM 1256 NE1 TRP A 79 1.616 0.844 -13.808 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.651 1.077 -14.675 1.00 1.32 C ATOM 1258 CE3 TRP A 79 4.720 0.020 -15.332 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 2.854 2.129 -15.566 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 4.920 1.065 -16.212 1.00 3.53 C ATOM 1261 CH2 TRP A 79 3.992 2.107 -16.323 1.00 3.20 C ATOM 0 H TRP A 79 5.106 -4.116 -12.235 1.00 0.47 H new ATOM 0 HA TRP A 79 5.375 -1.980 -14.266 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.149 -2.999 -13.550 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.415 -2.266 -11.980 1.00 0.61 H new ATOM 0 HD1 TRP A 79 1.210 -0.743 -12.371 1.00 1.33 H new ATOM 0 HE1 TRP A 79 0.798 1.441 -13.688 1.00 1.23 H new ATOM 0 HE3 TRP A 79 5.443 -0.779 -15.256 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 2.138 2.933 -15.655 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 5.809 1.079 -16.826 1.00 3.53 H new ATOM 0 HH2 TRP A 79 4.179 2.910 -17.021 1.00 3.20 H new ATOM 1272 N ILE A 80 6.876 -0.651 -12.782 1.00 0.46 N ATOM 1273 CA ILE A 80 7.753 0.130 -11.925 1.00 0.42 C ATOM 1274 C ILE A 80 7.357 1.605 -11.948 1.00 0.42 C ATOM 1275 O ILE A 80 7.089 2.173 -13.007 1.00 0.49 O ATOM 1276 CB ILE A 80 9.247 -0.016 -12.327 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.649 -1.493 -12.478 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.149 0.648 -11.294 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.401 -2.064 -13.858 1.00 0.55 C ATOM 0 H ILE A 80 7.077 -0.576 -13.779 1.00 0.46 H new ATOM 0 HA ILE A 80 7.637 -0.262 -10.914 1.00 0.42 H new ATOM 0 HB ILE A 80 9.371 0.479 -13.290 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.707 -1.596 -12.239 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.098 -2.085 -11.747 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.191 0.535 -11.594 1.00 0.40 H new ATOM 0 HG22 ILE A 80 9.905 1.708 -11.225 1.00 0.40 H new ATOM 0 HG23 ILE A 80 9.998 0.177 -10.323 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.711 -3.109 -13.881 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.339 -1.995 -14.095 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.974 -1.500 -14.594 1.00 0.55 H new ATOM 1291 N ARG A 81 7.308 2.210 -10.770 1.00 0.41 N ATOM 1292 CA ARG A 81 6.962 3.616 -10.631 1.00 0.44 C ATOM 1293 C ARG A 81 7.846 4.236 -9.549 1.00 0.35 C ATOM 1294 O ARG A 81 8.616 3.529 -8.912 1.00 0.42 O ATOM 1295 CB ARG A 81 5.475 3.751 -10.279 1.00 0.57 C ATOM 1296 CG ARG A 81 4.861 5.084 -10.685 1.00 1.21 C ATOM 1297 CD ARG A 81 4.996 5.326 -12.182 1.00 1.97 C ATOM 1298 NE ARG A 81 4.354 6.574 -12.597 1.00 2.78 N ATOM 1299 CZ ARG A 81 4.966 7.543 -13.280 1.00 3.79 C ATOM 1300 NH1 ARG A 81 6.240 7.417 -13.635 1.00 4.16 N ATOM 1301 NH2 ARG A 81 4.288 8.633 -13.617 1.00 4.76 N ATOM 0 H ARG A 81 7.506 1.741 -9.886 1.00 0.41 H new ATOM 0 HA ARG A 81 7.133 4.143 -11.570 1.00 0.44 H new ATOM 0 HB2 ARG A 81 4.923 2.946 -10.764 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.353 3.619 -9.204 1.00 0.57 H new ATOM 0 HG2 ARG A 81 3.807 5.101 -10.406 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.348 5.892 -10.139 1.00 1.21 H new ATOM 0 HD2 ARG A 81 6.052 5.355 -12.450 1.00 1.97 H new ATOM 0 HD3 ARG A 81 4.552 4.492 -12.725 1.00 1.97 H new ATOM 0 HE ARG A 81 3.375 6.712 -12.348 1.00 2.78 H new ATOM 0 HH11 ARG A 81 6.758 6.574 -13.386 1.00 4.16 H new ATOM 0 HH12 ARG A 81 6.700 8.163 -14.157 1.00 4.16 H new ATOM 0 HH21 ARG A 81 3.307 8.725 -13.354 1.00 4.76 H new ATOM 0 HH22 ARG A 81 4.748 9.379 -14.139 1.00 4.76 H new ATOM 1315 N THR A 82 7.745 5.539 -9.338 1.00 0.41 N ATOM 1316 CA THR A 82 8.640 6.221 -8.413 1.00 0.35 C ATOM 1317 C THR A 82 7.924 6.602 -7.123 1.00 0.32 C ATOM 1318 O THR A 82 6.895 7.272 -7.155 1.00 0.36 O ATOM 1319 CB THR A 82 9.244 7.488 -9.062 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.782 7.160 -10.349 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.346 8.097 -8.193 1.00 0.36 C ATOM 0 H THR A 82 7.058 6.143 -9.790 1.00 0.41 H new ATOM 0 HA THR A 82 9.443 5.525 -8.172 1.00 0.35 H new ATOM 0 HB THR A 82 8.446 8.224 -9.163 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.163 7.965 -10.759 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.746 8.985 -8.682 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.934 8.372 -7.222 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.145 7.368 -8.055 1.00 0.36 H new ATOM 1329 N PHE A 83 8.471 6.165 -6.001 1.00 0.27 N ATOM 1330 CA PHE A 83 7.989 6.579 -4.689 1.00 0.26 C ATOM 1331 C PHE A 83 9.020 7.472 -4.042 1.00 0.26 C ATOM 1332 O PHE A 83 10.166 7.087 -3.866 1.00 0.36 O ATOM 1333 CB PHE A 83 7.708 5.388 -3.761 1.00 0.26 C ATOM 1334 CG PHE A 83 6.350 4.759 -3.918 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.214 5.537 -4.068 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.216 3.380 -3.902 1.00 0.33 C ATOM 1337 CE1 PHE A 83 3.970 4.949 -4.203 1.00 0.44 C ATOM 1338 CE2 PHE A 83 4.979 2.784 -4.034 1.00 0.38 C ATOM 1339 CZ PHE A 83 3.852 3.570 -4.188 1.00 0.42 C ATOM 0 H PHE A 83 9.258 5.517 -5.971 1.00 0.27 H new ATOM 0 HA PHE A 83 7.048 7.109 -4.839 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.466 4.625 -3.936 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.820 5.718 -2.728 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.301 6.613 -4.080 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.094 2.762 -3.784 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.091 5.565 -4.320 1.00 0.44 H new ATOM 0 HE2 PHE A 83 4.891 1.708 -4.017 1.00 0.38 H new ATOM 0 HZ PHE A 83 2.881 3.109 -4.296 1.00 0.42 H new ATOM 1349 N VAL A 84 8.606 8.658 -3.695 1.00 0.24 N ATOM 1350 CA VAL A 84 9.496 9.639 -3.123 1.00 0.24 C ATOM 1351 C VAL A 84 8.998 10.055 -1.750 1.00 0.24 C ATOM 1352 O VAL A 84 7.798 10.275 -1.557 1.00 0.27 O ATOM 1353 CB VAL A 84 9.604 10.886 -4.031 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.385 10.582 -5.301 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.221 11.393 -4.381 1.00 0.29 C ATOM 0 H VAL A 84 7.642 8.976 -3.799 1.00 0.24 H new ATOM 0 HA VAL A 84 10.484 9.187 -3.033 1.00 0.24 H new ATOM 0 HB VAL A 84 10.144 11.657 -3.481 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.442 11.480 -5.917 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.392 10.256 -5.040 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.881 9.792 -5.858 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.307 12.271 -5.021 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.670 10.613 -4.907 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.689 11.660 -3.468 1.00 0.29 H new ATOM 1365 N PRO A 85 9.895 10.110 -0.763 1.00 0.35 N ATOM 1366 CA PRO A 85 9.589 10.716 0.522 1.00 0.34 C ATOM 1367 C PRO A 85 9.167 12.163 0.321 1.00 0.38 C ATOM 1368 O PRO A 85 9.821 12.914 -0.407 1.00 0.52 O ATOM 1369 CB PRO A 85 10.910 10.632 1.293 1.00 0.49 C ATOM 1370 CG PRO A 85 11.671 9.537 0.629 1.00 0.78 C ATOM 1371 CD PRO A 85 11.266 9.578 -0.815 1.00 0.56 C ATOM 0 HA PRO A 85 8.772 10.223 1.049 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.454 11.575 1.248 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.739 10.412 2.347 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.745 9.685 0.739 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.435 8.571 1.074 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.925 10.219 -1.400 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.297 8.588 -1.271 1.00 0.56 H new ATOM 1379 N SER A 86 8.054 12.534 0.930 1.00 0.34 N ATOM 1380 CA SER A 86 7.521 13.875 0.796 1.00 0.46 C ATOM 1381 C SER A 86 8.418 14.879 1.535 1.00 0.58 C ATOM 1382 O SER A 86 9.640 14.748 1.537 1.00 0.93 O ATOM 1383 CB SER A 86 6.092 13.905 1.346 1.00 0.53 C ATOM 1384 OG SER A 86 5.449 15.140 1.080 1.00 1.27 O ATOM 0 H SER A 86 7.500 11.919 1.526 1.00 0.34 H new ATOM 0 HA SER A 86 7.500 14.159 -0.256 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.515 13.093 0.903 1.00 0.53 H new ATOM 0 HB3 SER A 86 6.113 13.731 2.422 1.00 0.53 H new ATOM 0 HG SER A 86 4.870 15.377 1.835 1.00 1.27 H new ATOM 1390 N SER A 87 7.824 15.861 2.185 1.00 0.75 N ATOM 1391 CA SER A 87 8.600 16.891 2.852 1.00 0.90 C ATOM 1392 C SER A 87 9.149 16.370 4.173 1.00 0.79 C ATOM 1393 O SER A 87 9.974 17.018 4.817 1.00 0.89 O ATOM 1394 CB SER A 87 7.735 18.126 3.067 1.00 1.12 C ATOM 1395 OG SER A 87 7.189 18.566 1.834 1.00 1.70 O ATOM 0 H SER A 87 6.813 15.968 2.266 1.00 0.75 H new ATOM 0 HA SER A 87 9.448 17.166 2.224 1.00 0.90 H new ATOM 0 HB2 SER A 87 6.932 17.898 3.767 1.00 1.12 H new ATOM 0 HB3 SER A 87 8.331 18.922 3.513 1.00 1.12 H new ATOM 0 HG SER A 87 6.634 19.359 1.986 1.00 1.70 H new ATOM 1401 N ARG A 88 8.690 15.189 4.564 1.00 0.64 N ATOM 1402 CA ARG A 88 9.155 14.554 5.788 1.00 0.58 C ATOM 1403 C ARG A 88 9.154 13.036 5.630 1.00 0.49 C ATOM 1404 O ARG A 88 8.214 12.460 5.072 1.00 0.46 O ATOM 1405 CB ARG A 88 8.290 14.969 6.989 1.00 0.66 C ATOM 1406 CG ARG A 88 6.827 14.555 6.898 1.00 0.75 C ATOM 1407 CD ARG A 88 6.039 15.411 5.925 1.00 1.11 C ATOM 1408 NE ARG A 88 6.121 16.836 6.222 1.00 1.51 N ATOM 1409 CZ ARG A 88 5.330 17.749 5.660 1.00 1.84 C ATOM 1410 NH1 ARG A 88 4.375 17.371 4.816 1.00 1.95 N ATOM 1411 NH2 ARG A 88 5.499 19.034 5.939 1.00 2.59 N ATOM 0 H ARG A 88 7.994 14.650 4.049 1.00 0.64 H new ATOM 0 HA ARG A 88 10.176 14.887 5.977 1.00 0.58 H new ATOM 0 HB2 ARG A 88 8.719 14.538 7.894 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.340 16.052 7.097 1.00 0.66 H new ATOM 0 HG2 ARG A 88 6.767 13.511 6.589 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.372 14.622 7.886 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.407 15.235 4.914 1.00 1.11 H new ATOM 0 HD3 ARG A 88 4.994 15.102 5.942 1.00 1.11 H new ATOM 0 HE ARG A 88 6.820 17.150 6.895 1.00 1.51 H new ATOM 0 HH11 ARG A 88 4.248 16.382 4.599 1.00 1.95 H new ATOM 0 HH12 ARG A 88 3.769 18.070 4.385 1.00 1.95 H new ATOM 0 HH21 ARG A 88 6.234 19.323 6.584 1.00 2.59 H new ATOM 0 HH22 ARG A 88 4.894 19.733 5.509 1.00 2.59 H new ATOM 1425 N PRO A 89 10.225 12.377 6.108 1.00 0.49 N ATOM 1426 CA PRO A 89 10.379 10.921 6.018 1.00 0.48 C ATOM 1427 C PRO A 89 9.229 10.169 6.677 1.00 0.48 C ATOM 1428 O PRO A 89 8.934 10.365 7.858 1.00 0.62 O ATOM 1429 CB PRO A 89 11.696 10.642 6.755 1.00 0.58 C ATOM 1430 CG PRO A 89 11.982 11.875 7.542 1.00 0.70 C ATOM 1431 CD PRO A 89 11.381 13.006 6.763 1.00 0.56 C ATOM 0 HA PRO A 89 10.381 10.583 4.982 1.00 0.48 H new ATOM 0 HB2 PRO A 89 11.604 9.773 7.407 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.502 10.430 6.052 1.00 0.58 H new ATOM 0 HG2 PRO A 89 11.546 11.812 8.539 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.055 12.016 7.671 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.079 13.828 7.412 1.00 0.56 H new ATOM 0 HD3 PRO A 89 12.084 13.415 6.037 1.00 0.56 H new ATOM 1439 N GLY A 90 8.594 9.299 5.910 1.00 0.41 N ATOM 1440 CA GLY A 90 7.428 8.592 6.391 1.00 0.42 C ATOM 1441 C GLY A 90 6.222 8.838 5.511 1.00 0.38 C ATOM 1442 O GLY A 90 5.477 7.913 5.196 1.00 0.43 O ATOM 0 H GLY A 90 8.868 9.068 4.955 1.00 0.41 H new ATOM 0 HA2 GLY A 90 7.640 7.523 6.428 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.205 8.908 7.410 1.00 0.42 H new ATOM 1446 N GLN A 91 6.035 10.091 5.113 1.00 0.33 N ATOM 1447 CA GLN A 91 4.972 10.456 4.185 1.00 0.31 C ATOM 1448 C GLN A 91 5.460 10.212 2.766 1.00 0.26 C ATOM 1449 O GLN A 91 6.404 10.861 2.312 1.00 0.30 O ATOM 1450 CB GLN A 91 4.588 11.932 4.361 1.00 0.39 C ATOM 1451 CG GLN A 91 3.581 12.439 3.332 1.00 0.61 C ATOM 1452 CD GLN A 91 3.289 13.923 3.480 1.00 0.61 C ATOM 1453 OE1 GLN A 91 4.124 14.681 3.959 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.129 14.360 3.031 1.00 1.03 N ATOM 0 H GLN A 91 6.610 10.875 5.421 1.00 0.33 H new ATOM 0 HA GLN A 91 4.089 9.849 4.386 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.174 12.072 5.359 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.490 12.541 4.302 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.963 12.246 2.330 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.652 11.878 3.432 1.00 0.61 H new ATOM 0 HE21 GLN A 91 1.454 13.704 2.638 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.906 15.354 3.077 1.00 1.03 H new ATOM 1463 N PHE A 92 4.848 9.270 2.073 1.00 0.24 N ATOM 1464 CA PHE A 92 5.297 8.926 0.739 1.00 0.24 C ATOM 1465 C PHE A 92 4.364 9.470 -0.314 1.00 0.26 C ATOM 1466 O PHE A 92 3.151 9.538 -0.125 1.00 0.35 O ATOM 1467 CB PHE A 92 5.439 7.416 0.570 1.00 0.31 C ATOM 1468 CG PHE A 92 6.514 6.820 1.421 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.810 7.300 1.350 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.231 5.777 2.283 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.805 6.748 2.124 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.223 5.223 3.062 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.509 5.708 2.982 1.00 0.48 C ATOM 0 H PHE A 92 4.047 8.735 2.408 1.00 0.24 H new ATOM 0 HA PHE A 92 6.277 9.385 0.608 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.489 6.940 0.812 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.649 7.193 -0.476 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.043 8.115 0.681 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.224 5.393 2.346 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.814 7.127 2.060 1.00 0.40 H new ATOM 0 HE2 PHE A 92 6.992 4.410 3.734 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.288 5.274 3.592 1.00 0.48 H new ATOM 1483 N THR A 93 4.955 9.862 -1.414 1.00 0.23 N ATOM 1484 CA THR A 93 4.234 10.339 -2.565 1.00 0.27 C ATOM 1485 C THR A 93 4.932 9.820 -3.810 1.00 0.26 C ATOM 1486 O THR A 93 5.928 9.102 -3.711 1.00 0.25 O ATOM 1487 CB THR A 93 4.108 11.882 -2.583 1.00 0.35 C ATOM 1488 OG1 THR A 93 3.416 12.323 -3.753 1.00 1.29 O ATOM 1489 CG2 THR A 93 5.464 12.571 -2.484 1.00 0.92 C ATOM 0 H THR A 93 5.968 9.858 -1.536 1.00 0.23 H new ATOM 0 HA THR A 93 3.212 9.963 -2.528 1.00 0.27 H new ATOM 0 HB THR A 93 3.530 12.162 -1.702 1.00 0.35 H new ATOM 0 HG1 THR A 93 2.606 12.809 -3.491 1.00 1.29 H new ATOM 0 HG21 THR A 93 5.325 13.652 -2.500 1.00 0.92 H new ATOM 0 HG22 THR A 93 5.952 12.282 -1.553 1.00 0.92 H new ATOM 0 HG23 THR A 93 6.086 12.272 -3.328 1.00 0.92 H new ATOM 1497 N LEU A 94 4.419 10.159 -4.965 1.00 0.34 N ATOM 1498 CA LEU A 94 4.946 9.604 -6.211 1.00 0.37 C ATOM 1499 C LEU A 94 5.978 10.531 -6.808 1.00 0.34 C ATOM 1500 O LEU A 94 5.816 11.753 -6.809 1.00 0.39 O ATOM 1501 CB LEU A 94 3.846 9.394 -7.262 1.00 0.54 C ATOM 1502 CG LEU A 94 2.989 8.141 -7.120 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.803 6.890 -7.417 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.386 8.079 -5.739 1.00 0.75 C ATOM 0 H LEU A 94 3.643 10.811 -5.081 1.00 0.34 H new ATOM 0 HA LEU A 94 5.388 8.641 -5.955 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.186 10.261 -7.241 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.315 9.375 -8.246 1.00 0.54 H new ATOM 0 HG LEU A 94 2.180 8.189 -7.848 1.00 0.50 H new ATOM 0 HD11 LEU A 94 3.170 6.010 -7.309 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.186 6.939 -8.436 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.637 6.825 -6.719 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.776 7.180 -5.648 1.00 0.75 H new ATOM 0 HD22 LEU A 94 3.182 8.054 -4.995 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.763 8.958 -5.574 1.00 0.75 H new ATOM 1516 N GLY A 95 7.037 9.911 -7.321 1.00 0.32 N ATOM 1517 CA GLY A 95 8.117 10.621 -7.974 1.00 0.34 C ATOM 1518 C GLY A 95 7.622 11.496 -9.115 1.00 0.46 C ATOM 1519 O GLY A 95 8.326 12.386 -9.577 1.00 0.88 O ATOM 0 H GLY A 95 7.165 8.899 -7.292 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.637 11.240 -7.243 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.842 9.903 -8.357 1.00 0.34 H new ATOM 1523 N ASN A 96 6.396 11.226 -9.555 1.00 0.57 N ATOM 1524 CA ASN A 96 5.779 11.948 -10.655 1.00 0.71 C ATOM 1525 C ASN A 96 4.264 12.075 -10.413 1.00 0.61 C ATOM 1526 O ASN A 96 3.477 12.102 -11.349 1.00 0.66 O ATOM 1527 CB ASN A 96 6.054 11.189 -11.963 1.00 0.98 C ATOM 1528 CG ASN A 96 5.617 11.928 -13.217 1.00 1.89 C ATOM 1529 OD1 ASN A 96 5.120 11.314 -14.162 1.00 2.72 O ATOM 1530 ND2 ASN A 96 5.834 13.235 -13.263 1.00 2.42 N ATOM 0 H ASN A 96 5.804 10.498 -9.155 1.00 0.57 H new ATOM 0 HA ASN A 96 6.199 12.951 -10.725 1.00 0.71 H new ATOM 0 HB2 ASN A 96 7.122 10.981 -12.031 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.543 10.227 -11.926 1.00 0.98 H new ATOM 0 HD21 ASN A 96 5.587 13.764 -14.100 1.00 2.42 H new ATOM 0 HD22 ASN A 96 6.247 13.712 -12.462 1.00 2.42 H new ATOM 1537 N ILE A 97 3.857 12.159 -9.141 1.00 0.55 N ATOM 1538 CA ILE A 97 2.424 12.182 -8.792 1.00 0.57 C ATOM 1539 C ILE A 97 1.736 13.436 -9.331 1.00 0.74 C ATOM 1540 O ILE A 97 0.560 13.414 -9.683 1.00 0.88 O ATOM 1541 CB ILE A 97 2.186 12.128 -7.256 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.685 12.026 -6.941 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.795 13.352 -6.578 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.083 10.693 -7.324 1.00 1.20 C ATOM 0 H ILE A 97 4.488 12.212 -8.342 1.00 0.55 H new ATOM 0 HA ILE A 97 1.998 11.291 -9.253 1.00 0.57 H new ATOM 0 HB ILE A 97 2.677 11.237 -6.865 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.532 12.193 -5.875 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.156 12.821 -7.467 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.619 13.298 -5.504 1.00 0.60 H new ATOM 0 HG22 ILE A 97 3.868 13.378 -6.769 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.334 14.256 -6.976 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.978 10.688 -7.075 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.205 10.533 -8.395 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.588 9.896 -6.778 1.00 1.20 H new ATOM 1556 N HIS A 98 2.488 14.518 -9.423 1.00 0.85 N ATOM 1557 CA HIS A 98 1.905 15.823 -9.684 1.00 1.12 C ATOM 1558 C HIS A 98 1.648 16.057 -11.172 1.00 1.14 C ATOM 1559 O HIS A 98 1.269 17.154 -11.577 1.00 1.38 O ATOM 1560 CB HIS A 98 2.785 16.922 -9.078 1.00 1.38 C ATOM 1561 CG HIS A 98 4.151 17.053 -9.689 1.00 2.01 C ATOM 1562 ND1 HIS A 98 5.287 16.553 -9.094 1.00 2.88 N ATOM 1563 CD2 HIS A 98 4.565 17.657 -10.828 1.00 2.69 C ATOM 1564 CE1 HIS A 98 6.335 16.840 -9.838 1.00 3.63 C ATOM 1565 NE2 HIS A 98 5.927 17.509 -10.897 1.00 3.56 N ATOM 0 H HIS A 98 3.503 14.520 -9.321 1.00 0.85 H new ATOM 0 HA HIS A 98 0.928 15.857 -9.201 1.00 1.12 H new ATOM 0 HB2 HIS A 98 2.267 17.876 -9.176 1.00 1.38 H new ATOM 0 HB3 HIS A 98 2.898 16.729 -8.011 1.00 1.38 H new ATOM 0 HD2 HIS A 98 3.939 18.162 -11.549 1.00 2.69 H new ATOM 0 HE1 HIS A 98 7.358 16.572 -9.617 1.00 3.63 H new ATOM 0 HE2 HIS A 98 6.525 17.859 -11.645 1.00 3.56 H new ATOM 1574 N SER A 99 1.869 15.033 -11.985 1.00 0.99 N ATOM 1575 CA SER A 99 1.506 15.105 -13.391 1.00 1.16 C ATOM 1576 C SER A 99 0.104 14.539 -13.593 1.00 1.22 C ATOM 1577 O SER A 99 -0.509 14.710 -14.646 1.00 1.30 O ATOM 1578 CB SER A 99 2.515 14.341 -14.248 1.00 1.24 C ATOM 1579 OG SER A 99 2.599 12.987 -13.841 1.00 1.79 O ATOM 0 H SER A 99 2.294 14.151 -11.698 1.00 0.99 H new ATOM 0 HA SER A 99 1.517 16.150 -13.702 1.00 1.16 H new ATOM 0 HB2 SER A 99 2.221 14.392 -15.296 1.00 1.24 H new ATOM 0 HB3 SER A 99 3.495 14.811 -14.169 1.00 1.24 H new ATOM 0 HG SER A 99 3.069 12.932 -12.983 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.393 13.860 -12.565 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.727 13.284 -12.596 1.00 1.30 C ATOM 1587 C TYR A 100 -2.758 14.356 -12.254 1.00 1.17 C ATOM 1588 O TYR A 100 -2.657 15.030 -11.227 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.833 12.103 -11.629 1.00 1.63 C ATOM 1590 CG TYR A 100 -0.899 10.949 -11.938 1.00 2.74 C ATOM 1591 CD1 TYR A 100 0.434 10.983 -11.553 1.00 2.85 C ATOM 1592 CD2 TYR A 100 -1.358 9.818 -12.604 1.00 3.75 C ATOM 1593 CE1 TYR A 100 1.285 9.928 -11.821 1.00 3.91 C ATOM 1594 CE2 TYR A 100 -0.511 8.758 -12.878 1.00 4.83 C ATOM 1595 CZ TYR A 100 0.810 8.819 -12.484 1.00 4.89 C ATOM 1596 OH TYR A 100 1.660 7.765 -12.749 1.00 5.98 O ATOM 0 H TYR A 100 0.114 13.696 -11.695 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.925 12.910 -13.600 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.629 12.458 -10.619 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -2.859 11.735 -11.636 1.00 1.63 H new ATOM 0 HD1 TYR A 100 0.813 11.851 -11.034 1.00 2.85 H new ATOM 0 HD2 TYR A 100 -2.392 9.766 -12.912 1.00 3.75 H new ATOM 0 HE1 TYR A 100 2.319 9.973 -11.512 1.00 3.91 H new ATOM 0 HE2 TYR A 100 -0.882 7.887 -13.398 1.00 4.83 H new ATOM 0 HH TYR A 100 1.170 7.060 -13.222 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.758 14.518 -13.132 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.717 15.627 -13.071 1.00 1.04 C ATOM 1608 C PRO A 101 -5.800 15.473 -12.001 1.00 0.89 C ATOM 1609 O PRO A 101 -6.106 16.425 -11.285 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.343 15.611 -14.466 1.00 1.19 C ATOM 1611 CG PRO A 101 -5.257 14.189 -14.911 1.00 1.28 C ATOM 1612 CD PRO A 101 -4.026 13.614 -14.264 1.00 1.21 C ATOM 0 HA PRO A 101 -4.219 16.557 -12.798 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.377 15.954 -14.439 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.806 16.271 -15.147 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -6.147 13.635 -14.613 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -5.190 14.125 -15.997 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -4.194 12.591 -13.926 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -3.187 13.586 -14.959 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.386 14.285 -11.901 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.510 14.071 -10.994 1.00 0.74 C ATOM 1622 C GLN A 102 -7.029 13.816 -9.570 1.00 0.63 C ATOM 1623 O GLN A 102 -7.792 13.937 -8.611 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.367 12.897 -11.473 1.00 0.83 C ATOM 1625 CG GLN A 102 -9.582 12.641 -10.598 1.00 0.98 C ATOM 1626 CD GLN A 102 -10.408 11.465 -11.072 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.182 10.324 -10.668 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -11.381 11.731 -11.922 1.00 1.73 N ATOM 0 H GLN A 102 -6.105 13.461 -12.432 1.00 0.82 H new ATOM 0 HA GLN A 102 -8.115 14.978 -10.994 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.698 13.091 -12.493 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -7.753 11.997 -11.502 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -9.255 12.460 -9.574 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -10.206 13.534 -10.581 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -11.538 12.689 -12.234 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -11.977 10.978 -12.267 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.766 13.460 -9.435 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.203 13.149 -8.136 1.00 0.51 C ATOM 1639 C ILE A 103 -5.047 14.420 -7.309 1.00 0.52 C ATOM 1640 O ILE A 103 -4.195 15.267 -7.584 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.837 12.411 -8.255 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -4.025 10.988 -8.811 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.132 12.353 -6.901 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.517 10.922 -10.247 1.00 1.10 C ATOM 0 H ILE A 103 -5.109 13.379 -10.211 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.896 12.476 -7.632 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.215 12.975 -8.950 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.075 10.459 -8.743 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.732 10.456 -8.175 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.180 11.833 -7.008 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.954 13.366 -6.540 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.759 11.819 -6.187 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.619 9.880 -10.549 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.485 11.418 -10.323 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.801 11.421 -10.900 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.905 14.540 -6.310 1.00 0.45 N ATOM 1657 CA GLN A 104 -5.913 15.676 -5.405 1.00 0.48 C ATOM 1658 C GLN A 104 -4.637 15.665 -4.575 1.00 0.50 C ATOM 1659 O GLN A 104 -3.988 16.692 -4.376 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.145 15.574 -4.498 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.359 15.017 -5.220 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.084 16.051 -6.058 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -10.047 16.727 -5.457 1.00 1.40 O flip ATOM 1664 NE2 GLN A 104 -8.787 16.235 -7.233 1.00 0.98 N flip ATOM 0 H GLN A 104 -6.622 13.845 -6.103 1.00 0.45 H new ATOM 0 HA GLN A 104 -5.957 16.610 -5.965 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -6.911 14.938 -3.645 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.383 16.562 -4.103 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.045 14.194 -5.862 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -9.051 14.603 -4.487 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.037 15.692 -7.660 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.290 16.931 -7.783 1.00 0.98 H new ATOM 1673 N SER A 105 -4.283 14.471 -4.122 1.00 0.40 N ATOM 1674 CA SER A 105 -3.066 14.241 -3.370 1.00 0.41 C ATOM 1675 C SER A 105 -2.825 12.741 -3.270 1.00 0.36 C ATOM 1676 O SER A 105 -3.755 11.949 -3.448 1.00 0.39 O ATOM 1677 CB SER A 105 -3.170 14.859 -1.969 1.00 0.48 C ATOM 1678 OG SER A 105 -4.261 14.313 -1.244 1.00 1.13 O ATOM 0 H SER A 105 -4.840 13.629 -4.269 1.00 0.40 H new ATOM 0 HA SER A 105 -2.229 14.714 -3.883 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.243 14.684 -1.422 1.00 0.48 H new ATOM 0 HB3 SER A 105 -3.291 15.939 -2.054 1.00 0.48 H new ATOM 0 HG SER A 105 -4.302 14.724 -0.355 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.590 12.350 -3.017 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.281 10.954 -2.803 1.00 0.34 C ATOM 1686 C TYR A 106 -0.275 10.828 -1.670 1.00 0.36 C ATOM 1687 O TYR A 106 0.883 11.229 -1.807 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.748 10.291 -4.080 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.693 8.783 -3.970 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.399 8.153 -3.394 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.744 7.994 -4.414 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.446 6.776 -3.268 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.705 6.617 -4.297 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.610 6.013 -3.722 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.571 4.640 -3.606 1.00 0.52 O ATOM 0 H TYR A 106 -0.789 12.979 -2.955 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.199 10.434 -2.532 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.383 10.568 -4.922 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.250 10.673 -4.295 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.227 8.747 -3.037 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.608 8.464 -4.859 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.305 6.301 -2.817 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.530 6.018 -4.655 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.395 4.257 -3.974 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.732 10.278 -0.555 1.00 0.34 N ATOM 1706 CA ASP A 107 0.074 10.189 0.653 1.00 0.36 C ATOM 1707 C ASP A 107 0.054 8.776 1.203 1.00 0.38 C ATOM 1708 O ASP A 107 -1.002 8.243 1.509 1.00 0.46 O ATOM 1709 CB ASP A 107 -0.460 11.131 1.735 1.00 0.48 C ATOM 1710 CG ASP A 107 -0.552 12.575 1.291 1.00 1.27 C ATOM 1711 OD1 ASP A 107 0.479 13.286 1.339 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -1.645 12.998 0.872 1.00 1.31 O ATOM 0 H ASP A 107 -1.668 9.883 -0.462 1.00 0.34 H new ATOM 0 HA ASP A 107 1.092 10.473 0.387 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -1.448 10.791 2.045 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.187 11.069 2.610 1.00 0.48 H new ATOM 1717 N VAL A 108 1.211 8.168 1.336 1.00 0.38 N ATOM 1718 CA VAL A 108 1.299 6.841 1.929 1.00 0.44 C ATOM 1719 C VAL A 108 2.274 6.849 3.093 1.00 0.47 C ATOM 1720 O VAL A 108 3.420 7.257 2.961 1.00 0.58 O ATOM 1721 CB VAL A 108 1.676 5.751 0.886 1.00 0.48 C ATOM 1722 CG1 VAL A 108 2.158 6.390 -0.391 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.721 4.779 1.417 1.00 0.70 C ATOM 0 H VAL A 108 2.105 8.564 1.045 1.00 0.38 H new ATOM 0 HA VAL A 108 0.309 6.582 2.303 1.00 0.44 H new ATOM 0 HB VAL A 108 0.773 5.176 0.682 1.00 0.48 H new ATOM 0 HG11 VAL A 108 2.418 5.614 -1.111 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.369 7.018 -0.804 1.00 0.68 H new ATOM 0 HG13 VAL A 108 3.036 7.001 -0.183 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.950 4.038 0.652 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.628 5.325 1.676 1.00 0.70 H new ATOM 0 HG23 VAL A 108 2.334 4.277 2.304 1.00 0.70 H new ATOM 1733 N GLN A 109 1.786 6.452 4.247 1.00 0.44 N ATOM 1734 CA GLN A 109 2.589 6.430 5.451 1.00 0.50 C ATOM 1735 C GLN A 109 2.566 5.044 6.060 1.00 0.30 C ATOM 1736 O GLN A 109 1.516 4.414 6.152 1.00 0.29 O ATOM 1737 CB GLN A 109 2.052 7.435 6.467 1.00 0.85 C ATOM 1738 CG GLN A 109 1.155 8.502 5.865 1.00 0.92 C ATOM 1739 CD GLN A 109 -0.230 7.979 5.493 1.00 2.08 C ATOM 1740 OE1 GLN A 109 -0.743 7.058 6.115 1.00 2.86 O ATOM 1741 NE2 GLN A 109 -0.834 8.556 4.468 1.00 2.81 N ATOM 0 H GLN A 109 0.825 6.136 4.378 1.00 0.44 H new ATOM 0 HA GLN A 109 3.612 6.699 5.189 1.00 0.50 H new ATOM 0 HB2 GLN A 109 1.495 6.898 7.235 1.00 0.85 H new ATOM 0 HB3 GLN A 109 2.893 7.919 6.963 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.049 9.322 6.575 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.634 8.911 4.975 1.00 0.92 H new ATOM 0 HE21 GLN A 109 -0.377 9.321 3.972 1.00 2.81 H new ATOM 0 HE22 GLN A 109 -1.757 8.236 4.173 1.00 2.81 H new ATOM 1750 N VAL A 110 3.720 4.567 6.465 1.00 0.33 N ATOM 1751 CA VAL A 110 3.804 3.274 7.108 1.00 0.27 C ATOM 1752 C VAL A 110 3.887 3.465 8.624 1.00 0.30 C ATOM 1753 O VAL A 110 4.655 4.294 9.115 1.00 0.41 O ATOM 1754 CB VAL A 110 5.018 2.461 6.599 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.325 3.146 6.942 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.001 1.041 7.151 1.00 0.77 C ATOM 0 H VAL A 110 4.611 5.052 6.362 1.00 0.33 H new ATOM 0 HA VAL A 110 2.907 2.707 6.858 1.00 0.27 H new ATOM 0 HB VAL A 110 4.939 2.407 5.513 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.157 2.549 6.570 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.351 4.133 6.479 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.408 3.250 8.024 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.866 0.494 6.776 1.00 0.77 H new ATOM 0 HG22 VAL A 110 5.037 1.073 8.240 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.088 0.538 6.833 1.00 0.77 H new ATOM 1766 N ALA A 111 3.072 2.720 9.353 1.00 0.29 N ATOM 1767 CA ALA A 111 3.033 2.831 10.804 1.00 0.36 C ATOM 1768 C ALA A 111 4.133 1.996 11.440 1.00 0.37 C ATOM 1769 O ALA A 111 4.692 2.363 12.472 1.00 0.44 O ATOM 1770 CB ALA A 111 1.673 2.393 11.325 1.00 0.42 C ATOM 0 H ALA A 111 2.428 2.031 8.964 1.00 0.29 H new ATOM 0 HA ALA A 111 3.197 3.874 11.073 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.654 2.480 12.411 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.898 3.028 10.897 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.491 1.357 11.041 1.00 0.42 H new ATOM 1776 N ASP A 112 4.437 0.878 10.802 1.00 0.35 N ATOM 1777 CA ASP A 112 5.450 -0.052 11.290 1.00 0.46 C ATOM 1778 C ASP A 112 6.176 -0.663 10.108 1.00 0.37 C ATOM 1779 O ASP A 112 5.581 -1.431 9.369 1.00 0.35 O ATOM 1780 CB ASP A 112 4.814 -1.182 12.116 1.00 0.67 C ATOM 1781 CG ASP A 112 4.508 -0.793 13.549 1.00 1.36 C ATOM 1782 OD1 ASP A 112 3.408 -0.253 13.795 1.00 1.88 O ATOM 1783 OD2 ASP A 112 5.373 -0.992 14.430 1.00 2.20 O ATOM 0 H ASP A 112 3.991 0.587 9.932 1.00 0.35 H new ATOM 0 HA ASP A 112 6.143 0.500 11.926 1.00 0.46 H new ATOM 0 HB2 ASP A 112 3.891 -1.500 11.630 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.485 -2.041 12.118 1.00 0.67 H new ATOM 1788 N THR A 113 7.430 -0.296 9.894 1.00 0.37 N ATOM 1789 CA THR A 113 8.191 -0.855 8.785 1.00 0.36 C ATOM 1790 C THR A 113 9.605 -1.246 9.213 1.00 0.44 C ATOM 1791 O THR A 113 10.300 -0.483 9.885 1.00 0.55 O ATOM 1792 CB THR A 113 8.265 0.129 7.593 1.00 0.37 C ATOM 1793 OG1 THR A 113 8.800 -0.537 6.441 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.135 1.340 7.926 1.00 0.51 C ATOM 0 H THR A 113 7.939 0.379 10.466 1.00 0.37 H new ATOM 0 HA THR A 113 7.661 -1.753 8.466 1.00 0.36 H new ATOM 0 HB THR A 113 7.253 0.477 7.384 1.00 0.37 H new ATOM 0 HG1 THR A 113 8.833 0.089 5.688 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.167 2.012 7.068 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.714 1.865 8.783 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.145 1.008 8.164 1.00 0.51 H new ATOM 1802 N ASP A 114 10.008 -2.456 8.866 1.00 0.43 N ATOM 1803 CA ASP A 114 11.406 -2.842 8.956 1.00 0.57 C ATOM 1804 C ASP A 114 11.742 -3.754 7.781 1.00 0.64 C ATOM 1805 O ASP A 114 10.829 -4.241 7.117 1.00 0.61 O ATOM 1806 CB ASP A 114 11.720 -3.518 10.294 1.00 0.60 C ATOM 1807 CG ASP A 114 13.193 -3.430 10.651 1.00 1.24 C ATOM 1808 OD1 ASP A 114 14.000 -3.043 9.785 1.00 2.10 O ATOM 1809 OD2 ASP A 114 13.550 -3.725 11.809 1.00 1.17 O ATOM 0 H ASP A 114 9.388 -3.188 8.520 1.00 0.43 H new ATOM 0 HA ASP A 114 12.027 -1.947 8.908 1.00 0.57 H new ATOM 0 HB2 ASP A 114 11.129 -3.052 11.082 1.00 0.60 H new ATOM 0 HB3 ASP A 114 11.421 -4.565 10.249 1.00 0.60 H new ATOM 1814 N TYR A 115 13.020 -3.991 7.521 1.00 0.84 N ATOM 1815 CA TYR A 115 13.415 -4.783 6.356 1.00 0.99 C ATOM 1816 C TYR A 115 13.042 -6.256 6.534 1.00 0.90 C ATOM 1817 O TYR A 115 12.590 -6.907 5.592 1.00 1.07 O ATOM 1818 CB TYR A 115 14.919 -4.628 6.059 1.00 1.25 C ATOM 1819 CG TYR A 115 15.848 -5.102 7.159 1.00 1.46 C ATOM 1820 CD1 TYR A 115 16.244 -4.247 8.180 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.340 -6.401 7.166 1.00 1.67 C ATOM 1822 CE1 TYR A 115 17.099 -4.675 9.178 1.00 2.16 C ATOM 1823 CE2 TYR A 115 17.194 -6.837 8.160 1.00 2.05 C ATOM 1824 CZ TYR A 115 17.571 -5.971 9.163 1.00 2.26 C ATOM 1825 OH TYR A 115 18.422 -6.403 10.156 1.00 2.75 O ATOM 0 H TYR A 115 13.795 -3.653 8.091 1.00 0.84 H new ATOM 0 HA TYR A 115 12.864 -4.400 5.497 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.151 -5.179 5.147 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.127 -3.577 5.858 1.00 1.25 H new ATOM 0 HD1 TYR A 115 15.878 -3.231 8.194 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.049 -7.082 6.380 1.00 1.67 H new ATOM 0 HE1 TYR A 115 17.396 -3.998 9.966 1.00 2.16 H new ATOM 0 HE2 TYR A 115 17.564 -7.851 8.151 1.00 2.05 H new ATOM 0 HH TYR A 115 18.660 -7.341 9.998 1.00 2.75 H new ATOM 1835 N ASP A 116 13.224 -6.773 7.745 1.00 0.77 N ATOM 1836 CA ASP A 116 12.906 -8.170 8.037 1.00 0.74 C ATOM 1837 C ASP A 116 11.523 -8.286 8.665 1.00 0.64 C ATOM 1838 O ASP A 116 10.818 -9.282 8.494 1.00 0.66 O ATOM 1839 CB ASP A 116 13.955 -8.767 8.977 1.00 0.82 C ATOM 1840 CG ASP A 116 13.622 -10.186 9.392 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.796 -11.108 8.566 1.00 1.46 O ATOM 1842 OD2 ASP A 116 13.184 -10.384 10.543 1.00 1.40 O ATOM 0 H ASP A 116 13.589 -6.248 8.540 1.00 0.77 H new ATOM 0 HA ASP A 116 12.911 -8.725 7.099 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.928 -8.754 8.485 1.00 0.82 H new ATOM 0 HB3 ASP A 116 14.039 -8.142 9.866 1.00 0.82 H new ATOM 1847 N GLN A 117 11.151 -7.245 9.385 1.00 0.59 N ATOM 1848 CA GLN A 117 9.872 -7.180 10.075 1.00 0.50 C ATOM 1849 C GLN A 117 8.729 -6.922 9.099 1.00 0.37 C ATOM 1850 O GLN A 117 8.942 -6.729 7.902 1.00 0.39 O ATOM 1851 CB GLN A 117 9.903 -6.112 11.167 1.00 0.56 C ATOM 1852 CG GLN A 117 10.938 -6.387 12.252 1.00 1.22 C ATOM 1853 CD GLN A 117 10.751 -7.742 12.910 1.00 1.68 C ATOM 1854 OE1 GLN A 117 10.024 -7.872 13.894 1.00 2.16 O ATOM 1855 NE2 GLN A 117 11.407 -8.759 12.374 1.00 2.51 N ATOM 0 H GLN A 117 11.730 -6.414 9.510 1.00 0.59 H new ATOM 0 HA GLN A 117 9.696 -8.148 10.545 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.112 -5.144 10.712 1.00 0.56 H new ATOM 0 HB3 GLN A 117 8.916 -6.042 11.625 1.00 0.56 H new ATOM 0 HG2 GLN A 117 11.936 -6.333 11.818 1.00 1.22 H new ATOM 0 HG3 GLN A 117 10.878 -5.607 13.012 1.00 1.22 H new ATOM 0 HE21 GLN A 117 12.000 -8.610 11.558 1.00 2.51 H new ATOM 0 HE22 GLN A 117 11.319 -9.692 12.777 1.00 2.51 H new ATOM 1864 N PHE A 118 7.519 -6.913 9.623 1.00 0.30 N ATOM 1865 CA PHE A 118 6.323 -6.827 8.801 1.00 0.25 C ATOM 1866 C PHE A 118 5.836 -5.378 8.827 1.00 0.26 C ATOM 1867 O PHE A 118 5.947 -4.705 9.855 1.00 0.40 O ATOM 1868 CB PHE A 118 5.248 -7.772 9.373 1.00 0.31 C ATOM 1869 CG PHE A 118 4.441 -7.167 10.492 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.967 -7.057 11.770 1.00 0.36 C ATOM 1871 CD2 PHE A 118 3.161 -6.691 10.254 1.00 0.32 C ATOM 1872 CE1 PHE A 118 4.231 -6.488 12.791 1.00 0.41 C ATOM 1873 CE2 PHE A 118 2.422 -6.117 11.272 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.958 -6.016 12.541 1.00 0.42 C ATOM 0 H PHE A 118 7.335 -6.965 10.625 1.00 0.30 H new ATOM 0 HA PHE A 118 6.531 -7.124 7.773 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.573 -8.068 8.570 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.731 -8.680 9.735 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.964 -7.421 11.970 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.737 -6.769 9.264 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.651 -6.412 13.783 1.00 0.41 H new ATOM 0 HE2 PHE A 118 1.426 -5.748 11.075 1.00 0.38 H new ATOM 0 HZ PHE A 118 2.382 -5.568 13.337 1.00 0.42 H new ATOM 1884 N ALA A 119 5.333 -4.887 7.705 1.00 0.23 N ATOM 1885 CA ALA A 119 5.017 -3.473 7.592 1.00 0.23 C ATOM 1886 C ALA A 119 3.531 -3.220 7.386 1.00 0.21 C ATOM 1887 O ALA A 119 2.881 -3.862 6.566 1.00 0.28 O ATOM 1888 CB ALA A 119 5.831 -2.818 6.482 1.00 0.25 C ATOM 0 H ALA A 119 5.137 -5.439 6.870 1.00 0.23 H new ATOM 0 HA ALA A 119 5.290 -3.017 8.543 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.575 -1.760 6.419 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.894 -2.922 6.700 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.607 -3.303 5.532 1.00 0.25 H new ATOM 1894 N MET A 120 3.010 -2.273 8.147 1.00 0.19 N ATOM 1895 CA MET A 120 1.625 -1.842 8.024 1.00 0.21 C ATOM 1896 C MET A 120 1.579 -0.439 7.434 1.00 0.22 C ATOM 1897 O MET A 120 1.926 0.533 8.106 1.00 0.25 O ATOM 1898 CB MET A 120 0.952 -1.856 9.397 1.00 0.27 C ATOM 1899 CG MET A 120 0.222 -3.154 9.721 1.00 0.48 C ATOM 1900 SD MET A 120 -0.466 -3.162 11.390 1.00 0.63 S ATOM 1901 CE MET A 120 1.014 -2.916 12.371 1.00 1.47 C ATOM 0 H MET A 120 3.535 -1.780 8.869 1.00 0.19 H new ATOM 0 HA MET A 120 1.091 -2.526 7.364 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.708 -1.677 10.162 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.243 -1.030 9.450 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.581 -3.305 9.000 1.00 0.48 H new ATOM 0 HG3 MET A 120 0.911 -3.992 9.611 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.915 -3.447 13.318 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.878 -3.299 11.828 1.00 1.47 H new ATOM 0 HE3 MET A 120 1.150 -1.852 12.564 1.00 1.47 H new ATOM 1911 N VAL A 121 1.162 -0.332 6.177 1.00 0.25 N ATOM 1912 CA VAL A 121 1.228 0.943 5.470 1.00 0.26 C ATOM 1913 C VAL A 121 -0.156 1.452 5.081 1.00 0.29 C ATOM 1914 O VAL A 121 -0.987 0.691 4.593 1.00 0.39 O ATOM 1915 CB VAL A 121 2.052 0.846 4.172 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.654 2.197 3.843 1.00 0.34 C ATOM 1917 CG2 VAL A 121 3.130 -0.222 4.257 1.00 0.28 C ATOM 0 H VAL A 121 0.778 -1.103 5.631 1.00 0.25 H new ATOM 0 HA VAL A 121 1.704 1.630 6.169 1.00 0.26 H new ATOM 0 HB VAL A 121 1.378 0.549 3.369 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.236 2.122 2.924 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.856 2.928 3.709 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.304 2.514 4.659 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.685 -0.254 3.319 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.812 0.013 5.074 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.667 -1.192 4.438 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.378 2.742 5.270 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.596 3.398 4.819 1.00 0.27 C ATOM 1929 C PHE A 122 -1.283 4.237 3.571 1.00 0.27 C ATOM 1930 O PHE A 122 -0.615 5.264 3.646 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.185 4.250 5.976 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.339 5.187 5.630 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -3.839 5.286 4.341 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -3.903 5.999 6.612 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -4.865 6.155 4.038 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -4.925 6.875 6.308 1.00 0.38 C ATOM 1937 CZ PHE A 122 -5.408 6.952 5.021 1.00 0.63 C ATOM 0 H PHE A 122 0.280 3.364 5.740 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.351 2.663 4.542 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.523 3.571 6.758 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.379 4.848 6.400 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -3.417 4.671 3.560 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -3.535 5.942 7.626 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -5.244 6.211 3.028 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -5.346 7.501 7.081 1.00 0.38 H new ATOM 0 HZ PHE A 122 -6.210 7.635 4.783 1.00 0.63 H new ATOM 1947 N PHE A 123 -1.756 3.764 2.422 1.00 0.34 N ATOM 1948 CA PHE A 123 -1.646 4.503 1.162 1.00 0.34 C ATOM 1949 C PHE A 123 -2.941 5.273 0.930 1.00 0.35 C ATOM 1950 O PHE A 123 -4.025 4.690 0.972 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.433 3.558 -0.028 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.130 2.806 -0.050 1.00 0.37 C ATOM 1953 CD1 PHE A 123 0.235 1.964 0.988 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.714 2.917 -1.142 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.419 1.254 0.936 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.901 2.214 -1.197 1.00 0.47 C ATOM 1957 CZ PHE A 123 2.254 1.380 -0.156 1.00 0.41 C ATOM 0 H PHE A 123 -2.225 2.862 2.335 1.00 0.34 H new ATOM 0 HA PHE A 123 -0.790 5.173 1.236 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.248 2.834 -0.041 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -1.509 4.140 -0.946 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.412 1.862 1.846 1.00 0.32 H new ATOM 0 HD2 PHE A 123 0.440 3.563 -1.963 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.692 0.600 1.751 1.00 0.33 H new ATOM 0 HE2 PHE A 123 2.552 2.317 -2.053 1.00 0.47 H new ATOM 0 HZ PHE A 123 3.181 0.827 -0.195 1.00 0.41 H new ATOM 1967 N GLN A 124 -2.834 6.563 0.694 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.009 7.393 0.469 1.00 0.39 C ATOM 1969 C GLN A 124 -3.937 8.063 -0.894 1.00 0.34 C ATOM 1970 O GLN A 124 -2.908 8.627 -1.266 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.131 8.453 1.567 1.00 0.45 C ATOM 1972 CG GLN A 124 -5.420 9.253 1.499 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.541 10.267 2.621 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -4.550 10.817 3.096 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -6.765 10.516 3.061 1.00 1.57 N ATOM 0 H GLN A 124 -1.947 7.065 0.652 1.00 0.36 H new ATOM 0 HA GLN A 124 -4.890 6.752 0.497 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.067 7.966 2.540 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.285 9.136 1.496 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -5.472 9.770 0.541 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.269 8.570 1.539 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -7.564 10.040 2.642 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -6.909 11.184 3.819 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.026 7.983 -1.640 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.120 8.640 -2.932 1.00 0.38 C ATOM 1986 C LYS A 125 -6.427 9.407 -3.039 1.00 0.35 C ATOM 1987 O LYS A 125 -7.508 8.845 -2.886 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.009 7.636 -4.086 1.00 0.53 C ATOM 1989 CG LYS A 125 -5.960 6.455 -3.980 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.394 5.965 -5.353 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.217 5.516 -6.205 1.00 1.36 C ATOM 1992 NZ LYS A 125 -5.648 5.162 -7.582 1.00 1.55 N ATOM 0 H LYS A 125 -5.863 7.466 -1.370 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.284 9.336 -3.009 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -5.198 8.157 -5.025 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -3.986 7.261 -4.129 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -5.474 5.643 -3.439 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -6.837 6.744 -3.401 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -7.092 5.136 -5.236 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -6.929 6.763 -5.868 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.473 6.311 -6.248 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -4.737 4.655 -5.740 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -4.822 4.860 -8.137 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -6.340 4.387 -7.541 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.084 5.991 -8.033 1.00 1.55 H new ATOM 2006 N THR A 126 -6.328 10.692 -3.282 1.00 0.31 N ATOM 2007 CA THR A 126 -7.502 11.514 -3.482 1.00 0.31 C ATOM 2008 C THR A 126 -7.692 11.752 -4.969 1.00 0.34 C ATOM 2009 O THR A 126 -6.721 12.014 -5.675 1.00 0.39 O ATOM 2010 CB THR A 126 -7.343 12.871 -2.784 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.468 12.741 -1.654 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.684 13.397 -2.312 1.00 0.47 C ATOM 0 H THR A 126 -5.443 11.195 -3.347 1.00 0.31 H new ATOM 0 HA THR A 126 -8.364 10.997 -3.060 1.00 0.31 H new ATOM 0 HB THR A 126 -6.920 13.573 -3.503 1.00 0.35 H new ATOM 0 HG1 THR A 126 -5.759 13.415 -1.710 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.545 14.360 -1.821 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.348 13.519 -3.167 1.00 0.47 H new ATOM 0 HG23 THR A 126 -9.125 12.691 -1.608 1.00 0.47 H new ATOM 2020 N SER A 127 -8.915 11.648 -5.464 1.00 0.37 N ATOM 2021 CA SER A 127 -9.158 11.883 -6.876 1.00 0.45 C ATOM 2022 C SER A 127 -10.578 12.398 -7.119 1.00 0.51 C ATOM 2023 O SER A 127 -11.551 11.662 -6.944 1.00 0.52 O ATOM 2024 CB SER A 127 -8.920 10.595 -7.675 1.00 0.54 C ATOM 2025 OG SER A 127 -7.593 10.119 -7.503 1.00 0.87 O ATOM 0 H SER A 127 -9.742 11.406 -4.918 1.00 0.37 H new ATOM 0 HA SER A 127 -8.460 12.649 -7.214 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.627 9.830 -7.355 1.00 0.54 H new ATOM 0 HB3 SER A 127 -9.108 10.781 -8.733 1.00 0.54 H new ATOM 0 HG SER A 127 -7.471 9.297 -8.022 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.677 13.669 -7.510 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.957 14.306 -7.829 1.00 0.74 C ATOM 2033 C GLU A 128 -12.940 14.165 -6.678 1.00 0.66 C ATOM 2034 O GLU A 128 -14.012 13.569 -6.816 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.555 13.721 -9.102 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.783 14.470 -9.597 1.00 1.26 C ATOM 2037 CD GLU A 128 -14.248 13.994 -10.956 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.628 14.370 -11.973 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -15.236 13.236 -11.010 1.00 2.13 O ATOM 0 H GLU A 128 -9.872 14.287 -7.615 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.765 15.367 -7.991 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -11.797 13.725 -9.885 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.822 12.680 -8.923 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.592 14.348 -8.877 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -13.558 15.535 -9.647 1.00 1.26 H new ATOM 2046 N ASN A 129 -12.527 14.669 -5.528 1.00 0.64 N ATOM 2047 CA ASN A 129 -13.377 14.739 -4.342 1.00 0.70 C ATOM 2048 C ASN A 129 -13.602 13.371 -3.708 1.00 0.59 C ATOM 2049 O ASN A 129 -14.135 13.272 -2.605 1.00 0.71 O ATOM 2050 CB ASN A 129 -14.721 15.401 -4.667 1.00 0.91 C ATOM 2051 CG ASN A 129 -14.665 16.912 -4.572 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -13.634 17.531 -4.833 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -15.777 17.513 -4.188 1.00 2.21 N ATOM 0 H ASN A 129 -11.589 15.044 -5.385 1.00 0.64 H new ATOM 0 HA ASN A 129 -12.847 15.354 -3.614 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -15.029 15.115 -5.673 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -15.482 15.026 -3.982 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -15.803 18.529 -4.098 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -16.610 16.961 -3.981 1.00 2.21 H new ATOM 2060 N LYS A 130 -13.201 12.318 -4.397 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.292 10.985 -3.846 1.00 0.49 C ATOM 2062 C LYS A 130 -11.953 10.594 -3.257 1.00 0.42 C ATOM 2063 O LYS A 130 -10.963 10.453 -3.973 1.00 0.45 O ATOM 2064 CB LYS A 130 -13.726 9.967 -4.904 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.180 9.522 -4.779 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.094 10.215 -5.783 1.00 1.36 C ATOM 2067 CE LYS A 130 -16.225 11.704 -5.513 1.00 2.08 C ATOM 2068 NZ LYS A 130 -17.161 12.357 -6.465 1.00 2.80 N ATOM 0 H LYS A 130 -12.810 12.363 -5.338 1.00 0.45 H new ATOM 0 HA LYS A 130 -14.052 10.986 -3.064 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.573 10.399 -5.893 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -13.082 9.091 -4.836 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -15.240 8.443 -4.923 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.534 9.728 -3.769 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -15.705 10.064 -6.790 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -17.081 9.754 -5.750 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -16.577 11.859 -4.493 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -15.245 12.174 -5.587 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -17.224 13.372 -6.249 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -16.812 12.231 -7.437 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -18.103 11.925 -6.377 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.916 10.468 -1.948 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.708 10.053 -1.272 1.00 0.44 C ATOM 2084 C GLN A 131 -10.701 8.536 -1.116 1.00 0.48 C ATOM 2085 O GLN A 131 -11.687 7.941 -0.675 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.601 10.730 0.095 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.467 12.239 0.002 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.746 12.950 1.309 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -11.877 13.341 1.587 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -9.716 13.132 2.119 1.00 1.57 N ATOM 0 H GLN A 131 -12.709 10.647 -1.332 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.847 10.353 -1.870 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.484 10.485 0.685 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.740 10.327 0.627 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.459 12.487 -0.330 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.153 12.611 -0.759 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -8.792 12.793 1.853 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -9.846 13.612 3.010 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.603 7.918 -1.504 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.444 6.472 -1.382 1.00 0.50 C ATOM 2101 C TYR A 132 -8.276 6.167 -0.458 1.00 0.44 C ATOM 2102 O TYR A 132 -7.241 6.829 -0.515 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.188 5.808 -2.740 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.148 6.204 -3.843 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -9.944 7.357 -4.591 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -11.245 5.410 -4.152 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -10.804 7.708 -5.615 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -12.113 5.756 -5.169 1.00 1.01 C ATOM 2109 CZ TYR A 132 -11.886 6.904 -5.899 1.00 0.96 C ATOM 2110 OH TYR A 132 -12.738 7.243 -6.927 1.00 1.12 O ATOM 0 H TYR A 132 -8.798 8.395 -1.911 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.373 6.071 -0.976 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.174 6.049 -3.059 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.233 4.726 -2.612 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -9.098 7.991 -4.368 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -11.422 4.507 -3.587 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -10.629 8.606 -6.188 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -12.965 5.131 -5.392 1.00 1.01 H new ATOM 0 HH TYR A 132 -13.449 6.572 -6.997 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.447 5.172 0.393 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.439 4.830 1.388 1.00 0.30 C ATOM 2122 C PHE A 133 -7.305 3.330 1.496 1.00 0.25 C ATOM 2123 O PHE A 133 -8.219 2.581 1.146 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.806 5.400 2.760 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.920 6.388 2.689 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -8.666 7.716 2.405 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -10.225 5.975 2.857 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -9.699 8.612 2.296 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -11.260 6.862 2.740 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.999 8.184 2.458 1.00 1.95 C ATOM 0 H PHE A 133 -9.278 4.582 0.417 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.492 5.264 1.068 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -8.090 4.584 3.424 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -6.929 5.877 3.198 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -7.648 8.051 2.268 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -10.432 4.940 3.084 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -9.494 9.651 2.084 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -12.278 6.526 2.868 1.00 1.82 H new ATOM 0 HZ PHE A 133 -11.814 8.886 2.364 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.161 2.908 1.972 1.00 0.21 N ATOM 2141 CA LYS A 134 -5.882 1.505 2.167 1.00 0.24 C ATOM 2142 C LYS A 134 -4.853 1.340 3.269 1.00 0.17 C ATOM 2143 O LYS A 134 -3.948 2.159 3.411 1.00 0.20 O ATOM 2144 CB LYS A 134 -5.335 0.880 0.877 1.00 0.38 C ATOM 2145 CG LYS A 134 -3.988 1.466 0.485 1.00 0.53 C ATOM 2146 CD LYS A 134 -3.383 0.835 -0.760 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.860 -0.569 -0.505 1.00 0.61 C ATOM 2148 NZ LYS A 134 -1.753 -0.914 -1.437 1.00 1.30 N ATOM 0 H LYS A 134 -5.395 3.527 2.236 1.00 0.21 H new ATOM 0 HA LYS A 134 -6.810 1.003 2.442 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -5.236 -0.197 1.010 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.048 1.037 0.068 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.103 2.537 0.319 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -3.294 1.345 1.316 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.135 0.802 -1.548 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -2.569 1.462 -1.122 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.509 -0.647 0.524 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -3.672 -1.288 -0.620 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.418 -1.878 -1.237 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -2.096 -0.863 -2.417 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -0.969 -0.242 -1.309 1.00 1.30 H new ATOM 2162 N VAL A 135 -4.993 0.293 4.039 1.00 0.16 N ATOM 2163 CA VAL A 135 -3.944 -0.128 4.923 1.00 0.17 C ATOM 2164 C VAL A 135 -3.479 -1.504 4.457 1.00 0.20 C ATOM 2165 O VAL A 135 -4.239 -2.472 4.437 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.363 -0.121 6.423 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.276 -1.283 6.805 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.128 -0.081 7.307 1.00 0.78 C ATOM 0 H VAL A 135 -5.832 -0.287 4.070 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.122 0.586 4.874 1.00 0.17 H new ATOM 0 HB VAL A 135 -4.953 0.781 6.583 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.528 -1.215 7.863 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.189 -1.239 6.211 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.764 -2.226 6.614 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.430 -0.076 8.354 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.512 -0.958 7.111 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.555 0.821 7.091 1.00 0.78 H new ATOM 2178 N THR A 136 -2.255 -1.564 3.985 1.00 0.20 N ATOM 2179 CA THR A 136 -1.747 -2.777 3.390 1.00 0.22 C ATOM 2180 C THR A 136 -0.756 -3.454 4.323 1.00 0.24 C ATOM 2181 O THR A 136 0.062 -2.794 4.968 1.00 0.47 O ATOM 2182 CB THR A 136 -1.092 -2.502 2.019 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.557 -3.711 1.458 1.00 1.41 O ATOM 2184 CG2 THR A 136 0.002 -1.452 2.124 1.00 0.65 C ATOM 0 H THR A 136 -1.594 -0.788 4.002 1.00 0.20 H new ATOM 0 HA THR A 136 -2.592 -3.446 3.229 1.00 0.22 H new ATOM 0 HB THR A 136 -1.870 -2.119 1.359 1.00 0.43 H new ATOM 0 HG1 THR A 136 0.330 -3.532 1.081 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.441 -1.284 1.140 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.423 -0.520 2.496 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.774 -1.798 2.811 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.854 -4.767 4.403 1.00 0.18 N ATOM 2193 CA LEU A 137 0.050 -5.556 5.216 1.00 0.21 C ATOM 2194 C LEU A 137 1.175 -6.085 4.335 1.00 0.17 C ATOM 2195 O LEU A 137 0.943 -6.902 3.442 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.730 -6.704 5.883 1.00 0.33 C ATOM 2197 CG LEU A 137 0.009 -7.528 6.953 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.027 -8.462 6.329 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.678 -6.622 7.975 1.00 0.68 C ATOM 0 H LEU A 137 -1.559 -5.314 3.909 1.00 0.18 H new ATOM 0 HA LEU A 137 0.488 -4.944 6.004 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.626 -6.283 6.340 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -1.062 -7.386 5.100 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.736 -8.136 7.466 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.530 -9.028 7.113 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.522 -9.150 5.651 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.762 -7.880 5.773 1.00 0.97 H new ATOM 0 HD21 LEU A 137 1.193 -7.230 8.719 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.399 -5.977 7.473 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.077 -6.009 8.467 1.00 0.68 H new ATOM 2211 N TYR A 138 2.377 -5.589 4.569 1.00 0.18 N ATOM 2212 CA TYR A 138 3.552 -6.049 3.848 1.00 0.26 C ATOM 2213 C TYR A 138 4.450 -6.865 4.759 1.00 0.20 C ATOM 2214 O TYR A 138 4.368 -6.763 5.982 1.00 0.25 O ATOM 2215 CB TYR A 138 4.359 -4.877 3.288 1.00 0.44 C ATOM 2216 CG TYR A 138 3.705 -4.145 2.142 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.065 -4.832 1.122 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.746 -2.764 2.075 1.00 0.54 C ATOM 2219 CE1 TYR A 138 2.481 -4.159 0.071 1.00 2.04 C ATOM 2220 CE2 TYR A 138 3.168 -2.081 1.026 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.536 -2.784 0.024 1.00 1.94 C ATOM 2222 OH TYR A 138 1.951 -2.113 -1.027 1.00 2.64 O ATOM 0 H TYR A 138 2.566 -4.862 5.259 1.00 0.18 H new ATOM 0 HA TYR A 138 3.200 -6.666 3.021 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.547 -4.167 4.093 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.329 -5.248 2.957 1.00 0.44 H new ATOM 0 HD1 TYR A 138 3.024 -5.911 1.152 1.00 1.36 H new ATOM 0 HD2 TYR A 138 4.240 -2.210 2.859 1.00 0.54 H new ATOM 0 HE1 TYR A 138 1.982 -4.708 -0.713 1.00 2.04 H new ATOM 0 HE2 TYR A 138 3.210 -1.002 0.990 1.00 1.18 H new ATOM 0 HH TYR A 138 2.007 -1.147 -0.871 1.00 2.64 H new ATOM 2232 N GLY A 139 5.304 -7.663 4.157 1.00 0.28 N ATOM 2233 CA GLY A 139 6.261 -8.434 4.911 1.00 0.29 C ATOM 2234 C GLY A 139 7.520 -8.662 4.108 1.00 0.33 C ATOM 2235 O GLY A 139 7.511 -8.479 2.889 1.00 0.45 O ATOM 0 H GLY A 139 5.353 -7.793 3.147 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.505 -7.914 5.837 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.824 -9.393 5.189 1.00 0.29 H new ATOM 2239 N ARG A 140 8.598 -9.058 4.771 1.00 0.37 N ATOM 2240 CA ARG A 140 9.830 -9.415 4.070 1.00 0.49 C ATOM 2241 C ARG A 140 9.602 -10.668 3.228 1.00 0.38 C ATOM 2242 O ARG A 140 10.311 -10.932 2.258 1.00 0.51 O ATOM 2243 CB ARG A 140 10.970 -9.662 5.068 1.00 0.78 C ATOM 2244 CG ARG A 140 12.278 -10.058 4.402 1.00 1.61 C ATOM 2245 CD ARG A 140 13.341 -10.452 5.413 1.00 1.91 C ATOM 2246 NE ARG A 140 14.538 -10.953 4.746 1.00 2.46 N ATOM 2247 CZ ARG A 140 15.573 -11.515 5.370 1.00 3.13 C ATOM 2248 NH1 ARG A 140 15.576 -11.646 6.690 1.00 3.38 N ATOM 2249 NH2 ARG A 140 16.603 -11.958 4.662 1.00 3.99 N ATOM 0 H ARG A 140 8.648 -9.141 5.786 1.00 0.37 H new ATOM 0 HA ARG A 140 10.111 -8.586 3.420 1.00 0.49 H new ATOM 0 HB2 ARG A 140 11.129 -8.759 5.657 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.672 -10.447 5.762 1.00 0.78 H new ATOM 0 HG2 ARG A 140 12.100 -10.891 3.722 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.643 -9.226 3.799 1.00 1.61 H new ATOM 0 HD2 ARG A 140 13.598 -9.591 6.030 1.00 1.91 H new ATOM 0 HD3 ARG A 140 12.946 -11.217 6.082 1.00 1.91 H new ATOM 0 HE ARG A 140 14.586 -10.867 3.731 1.00 2.46 H new ATOM 0 HH11 ARG A 140 14.781 -11.315 7.237 1.00 3.38 H new ATOM 0 HH12 ARG A 140 16.373 -12.078 7.158 1.00 3.38 H new ATOM 0 HH21 ARG A 140 16.600 -11.868 3.646 1.00 3.99 H new ATOM 0 HH22 ARG A 140 17.398 -12.389 5.133 1.00 3.99 H new ATOM 2263 N THR A 141 8.587 -11.424 3.602 1.00 0.40 N ATOM 2264 CA THR A 141 8.283 -12.681 2.953 1.00 0.58 C ATOM 2265 C THR A 141 6.777 -12.930 3.013 1.00 0.64 C ATOM 2266 O THR A 141 6.051 -12.198 3.689 1.00 1.14 O ATOM 2267 CB THR A 141 9.049 -13.838 3.637 1.00 0.85 C ATOM 2268 OG1 THR A 141 8.824 -15.071 2.951 1.00 1.13 O ATOM 2269 CG2 THR A 141 8.630 -13.984 5.091 1.00 0.94 C ATOM 0 H THR A 141 7.952 -11.183 4.363 1.00 0.40 H new ATOM 0 HA THR A 141 8.598 -12.634 1.910 1.00 0.58 H new ATOM 0 HB THR A 141 10.111 -13.596 3.598 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.318 -15.789 3.398 1.00 1.13 H new ATOM 0 HG21 THR A 141 9.183 -14.804 5.548 1.00 0.94 H new ATOM 0 HG22 THR A 141 8.844 -13.059 5.626 1.00 0.94 H new ATOM 0 HG23 THR A 141 7.562 -14.194 5.142 1.00 0.94 H new ATOM 2277 N LYS A 142 6.315 -13.962 2.315 1.00 0.79 N ATOM 2278 CA LYS A 142 4.895 -14.299 2.274 1.00 0.87 C ATOM 2279 C LYS A 142 4.505 -15.127 3.492 1.00 0.84 C ATOM 2280 O LYS A 142 3.411 -15.689 3.559 1.00 1.09 O ATOM 2281 CB LYS A 142 4.572 -15.088 1.004 1.00 1.02 C ATOM 2282 CG LYS A 142 4.760 -14.311 -0.289 1.00 1.17 C ATOM 2283 CD LYS A 142 4.989 -15.258 -1.454 1.00 0.84 C ATOM 2284 CE LYS A 142 4.871 -14.567 -2.806 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.405 -15.422 -3.897 1.00 1.57 N ATOM 0 H LYS A 142 6.908 -14.584 1.766 1.00 0.79 H new ATOM 0 HA LYS A 142 4.327 -13.369 2.277 1.00 0.87 H new ATOM 0 HB2 LYS A 142 5.203 -15.976 0.974 1.00 1.02 H new ATOM 0 HB3 LYS A 142 3.539 -15.432 1.059 1.00 1.02 H new ATOM 0 HG2 LYS A 142 3.881 -13.696 -0.481 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.608 -13.633 -0.192 1.00 1.17 H new ATOM 0 HD2 LYS A 142 5.979 -15.705 -1.364 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.266 -16.072 -1.402 1.00 0.84 H new ATOM 0 HE2 LYS A 142 3.826 -14.329 -3.005 1.00 0.85 H new ATOM 0 HE3 LYS A 142 5.414 -13.622 -2.783 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 4.874 -15.240 -4.772 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 6.410 -15.202 -4.050 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 5.306 -16.423 -3.634 1.00 1.57 H new ATOM 2299 N GLY A 143 5.413 -15.191 4.446 1.00 0.67 N ATOM 2300 CA GLY A 143 5.204 -15.988 5.633 1.00 0.70 C ATOM 2301 C GLY A 143 5.047 -15.136 6.875 1.00 0.62 C ATOM 2302 O GLY A 143 5.889 -15.173 7.775 1.00 0.74 O ATOM 0 H GLY A 143 6.305 -14.698 4.419 1.00 0.67 H new ATOM 0 HA2 GLY A 143 4.314 -16.604 5.503 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.046 -16.668 5.765 1.00 0.70 H new ATOM 2306 N LEU A 144 3.974 -14.366 6.920 1.00 0.52 N ATOM 2307 CA LEU A 144 3.692 -13.508 8.061 1.00 0.46 C ATOM 2308 C LEU A 144 2.548 -14.088 8.880 1.00 0.48 C ATOM 2309 O LEU A 144 1.522 -14.493 8.332 1.00 0.53 O ATOM 2310 CB LEU A 144 3.352 -12.093 7.595 1.00 0.43 C ATOM 2311 CG LEU A 144 4.502 -11.331 6.930 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.124 -9.871 6.743 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.776 -11.450 7.754 1.00 0.56 C ATOM 0 H LEU A 144 3.279 -14.316 6.175 1.00 0.52 H new ATOM 0 HA LEU A 144 4.582 -13.457 8.689 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.520 -12.149 6.892 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.005 -11.518 8.454 1.00 0.43 H new ATOM 0 HG LEU A 144 4.689 -11.773 5.951 1.00 0.40 H new ATOM 0 HD11 LEU A 144 4.949 -9.339 6.269 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.238 -9.803 6.112 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.913 -9.423 7.714 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.580 -10.901 7.263 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.607 -11.034 8.747 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.055 -12.500 7.843 1.00 0.56 H new ATOM 2325 N SER A 145 2.747 -14.142 10.189 1.00 0.51 N ATOM 2326 CA SER A 145 1.772 -14.713 11.104 1.00 0.56 C ATOM 2327 C SER A 145 0.449 -13.957 11.051 1.00 0.50 C ATOM 2328 O SER A 145 0.412 -12.744 10.834 1.00 0.49 O ATOM 2329 CB SER A 145 2.331 -14.681 12.528 1.00 0.65 C ATOM 2330 OG SER A 145 1.405 -15.212 13.460 1.00 1.43 O ATOM 0 H SER A 145 3.589 -13.791 10.646 1.00 0.51 H new ATOM 0 HA SER A 145 1.582 -15.743 10.802 1.00 0.56 H new ATOM 0 HB2 SER A 145 3.259 -15.252 12.569 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.576 -13.655 12.801 1.00 0.65 H new ATOM 0 HG SER A 145 1.792 -15.179 14.360 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.636 -14.696 11.259 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.974 -14.121 11.312 1.00 0.51 C ATOM 2338 C ASP A 146 -2.075 -13.081 12.413 1.00 0.48 C ATOM 2339 O ASP A 146 -2.922 -12.193 12.354 1.00 0.46 O ATOM 2340 CB ASP A 146 -3.027 -15.210 11.517 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.349 -15.942 10.233 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -2.466 -16.653 9.713 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -4.486 -15.798 9.730 1.00 2.08 O ATOM 0 H ASP A 146 -0.612 -15.707 11.395 1.00 0.53 H new ATOM 0 HA ASP A 146 -2.163 -13.631 10.357 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.670 -15.923 12.260 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.937 -14.762 11.916 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.204 -13.198 13.412 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.138 -12.224 14.494 1.00 0.53 C ATOM 2350 C GLU A 147 -0.876 -10.824 13.944 1.00 0.45 C ATOM 2351 O GLU A 147 -1.568 -9.871 14.291 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.037 -12.604 15.484 1.00 0.62 C ATOM 2353 CG GLU A 147 0.163 -11.582 16.590 1.00 0.72 C ATOM 2354 CD GLU A 147 1.381 -11.870 17.438 1.00 1.25 C ATOM 2355 OE1 GLU A 147 2.501 -11.505 17.022 1.00 1.99 O ATOM 2356 OE2 GLU A 147 1.225 -12.467 18.524 1.00 1.48 O ATOM 0 H GLU A 147 -0.532 -13.961 13.493 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.098 -12.224 15.010 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.278 -13.569 15.931 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.900 -12.729 14.942 1.00 0.62 H new ATOM 0 HG2 GLU A 147 0.259 -10.590 16.149 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -0.722 -11.564 17.227 1.00 0.72 H new ATOM 2363 N LEU A 148 0.120 -10.700 13.078 1.00 0.41 N ATOM 2364 CA LEU A 148 0.461 -9.402 12.517 1.00 0.37 C ATOM 2365 C LEU A 148 -0.578 -8.974 11.480 1.00 0.31 C ATOM 2366 O LEU A 148 -0.837 -7.784 11.295 1.00 0.29 O ATOM 2367 CB LEU A 148 1.896 -9.403 11.944 1.00 0.37 C ATOM 2368 CG LEU A 148 2.205 -10.382 10.798 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.690 -9.858 9.468 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.703 -10.632 10.703 1.00 0.38 C ATOM 0 H LEU A 148 0.700 -11.473 12.752 1.00 0.41 H new ATOM 0 HA LEU A 148 0.443 -8.662 13.317 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.119 -8.395 11.594 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.584 -9.616 12.762 1.00 0.37 H new ATOM 0 HG LEU A 148 1.695 -11.319 11.019 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.925 -10.573 8.680 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.610 -9.721 9.524 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.165 -8.903 9.245 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.905 -11.327 9.888 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.218 -9.690 10.513 1.00 0.38 H new ATOM 0 HD23 LEU A 148 4.061 -11.059 11.640 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.191 -9.954 10.821 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.184 -9.666 9.796 1.00 0.29 C ATOM 2384 C LYS A 149 -3.482 -9.163 10.422 1.00 0.29 C ATOM 2385 O LYS A 149 -4.069 -8.199 9.947 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.456 -10.900 8.927 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.227 -11.401 8.184 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.568 -12.480 7.165 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.145 -13.730 7.814 1.00 0.83 C ATOM 2390 NZ LYS A 149 -2.344 -14.823 6.824 1.00 1.22 N ATOM 0 H LYS A 149 -1.018 -10.947 10.978 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.780 -8.881 9.157 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -2.841 -11.701 9.558 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.236 -10.661 8.204 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -0.746 -10.565 7.677 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.507 -11.796 8.901 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.285 -12.083 6.446 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -0.670 -12.745 6.607 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -1.476 -14.072 8.604 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.098 -13.488 8.286 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -2.738 -15.658 7.303 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -3.002 -14.505 6.084 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -1.431 -15.071 6.392 1.00 1.22 H new ATOM 2404 N GLU A 150 -3.932 -9.799 11.496 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.124 -9.323 12.187 1.00 0.35 C ATOM 2406 C GLU A 150 -4.884 -7.910 12.716 1.00 0.34 C ATOM 2407 O GLU A 150 -5.800 -7.095 12.777 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.548 -10.262 13.323 1.00 0.42 C ATOM 2409 CG GLU A 150 -4.526 -10.391 14.434 1.00 1.02 C ATOM 2410 CD GLU A 150 -5.049 -11.173 15.620 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -5.231 -12.401 15.496 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -5.267 -10.569 16.690 1.00 2.00 O ATOM 0 H GLU A 150 -3.500 -10.629 11.902 1.00 0.33 H new ATOM 0 HA GLU A 150 -5.943 -9.307 11.468 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -6.486 -9.902 13.747 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -5.745 -11.251 12.908 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -3.633 -10.881 14.046 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -4.226 -9.396 14.763 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.643 -7.631 13.105 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.259 -6.285 13.509 1.00 0.35 C ATOM 2421 C ARG A 151 -3.520 -5.281 12.389 1.00 0.30 C ATOM 2422 O ARG A 151 -3.976 -4.167 12.649 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.790 -6.236 13.928 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.521 -6.870 15.284 1.00 1.21 C ATOM 2425 CD ARG A 151 -0.058 -6.748 15.674 1.00 1.20 C ATOM 2426 NE ARG A 151 0.384 -5.352 15.709 1.00 1.71 N ATOM 2427 CZ ARG A 151 1.648 -4.971 15.899 1.00 1.97 C ATOM 2428 NH1 ARG A 151 2.597 -5.875 16.120 1.00 1.74 N ATOM 2429 NH2 ARG A 151 1.957 -3.679 15.883 1.00 2.88 N ATOM 0 H ARG A 151 -2.890 -8.317 13.148 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.873 -6.012 14.368 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.189 -6.743 13.174 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.462 -5.197 13.951 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -2.142 -6.390 16.041 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -1.805 -7.922 15.258 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.096 -7.202 16.653 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.554 -7.305 14.965 1.00 1.20 H new ATOM 0 HE ARG A 151 -0.320 -4.625 15.580 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.361 -6.867 16.145 1.00 1.74 H new ATOM 0 HH12 ARG A 151 3.562 -5.577 16.264 1.00 1.74 H new ATOM 0 HH21 ARG A 151 1.229 -2.982 15.726 1.00 2.88 H new ATOM 0 HH22 ARG A 151 2.923 -3.384 16.028 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.244 -5.671 11.141 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.513 -4.784 10.013 1.00 0.27 C ATOM 2445 C PHE A 152 -5.020 -4.594 9.837 1.00 0.23 C ATOM 2446 O PHE A 152 -5.481 -3.469 9.660 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.839 -5.278 8.704 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.772 -5.865 7.662 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.699 -5.070 6.998 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.725 -7.215 7.356 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.555 -5.610 6.065 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.580 -7.760 6.418 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.496 -6.957 5.774 1.00 0.21 C ATOM 0 H PHE A 152 -2.843 -6.575 10.892 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.069 -3.814 10.237 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.304 -4.441 8.255 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.094 -6.031 8.963 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.748 -4.014 7.217 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -3.010 -7.850 7.858 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.272 -4.979 5.561 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.531 -8.814 6.190 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.167 -7.382 5.042 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.793 -5.687 9.888 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.240 -5.584 9.707 1.00 0.22 C ATOM 2465 C VAL A 153 -7.822 -4.745 10.842 1.00 0.25 C ATOM 2466 O VAL A 153 -8.713 -3.937 10.624 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.958 -6.970 9.638 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.192 -7.951 8.767 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.198 -7.571 11.014 1.00 0.28 C ATOM 0 H VAL A 153 -5.446 -6.633 10.050 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.415 -5.106 8.743 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.931 -6.784 9.184 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.720 -8.904 8.742 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.112 -7.554 7.755 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.194 -8.100 9.178 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.699 -8.533 10.908 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.243 -7.713 11.521 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.824 -6.898 11.601 1.00 0.28 H new ATOM 2479 N SER A 154 -7.271 -4.908 12.043 1.00 0.28 N ATOM 2480 CA SER A 154 -7.704 -4.134 13.196 1.00 0.33 C ATOM 2481 C SER A 154 -7.431 -2.653 12.957 1.00 0.32 C ATOM 2482 O SER A 154 -8.299 -1.806 13.188 1.00 0.35 O ATOM 2483 CB SER A 154 -6.989 -4.612 14.466 1.00 0.38 C ATOM 2484 OG SER A 154 -7.446 -3.909 15.611 1.00 1.05 O ATOM 0 H SER A 154 -6.522 -5.572 12.240 1.00 0.28 H new ATOM 0 HA SER A 154 -8.775 -4.279 13.334 1.00 0.33 H new ATOM 0 HB2 SER A 154 -7.158 -5.680 14.601 1.00 0.38 H new ATOM 0 HB3 SER A 154 -5.914 -4.471 14.355 1.00 0.38 H new ATOM 0 HG SER A 154 -6.974 -4.236 16.405 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.234 -2.352 12.463 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.868 -0.982 12.146 1.00 0.29 C ATOM 2492 C PHE A 155 -6.754 -0.450 11.026 1.00 0.28 C ATOM 2493 O PHE A 155 -7.045 0.741 10.977 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.392 -0.886 11.747 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.927 0.527 11.507 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.590 1.348 12.572 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.834 1.035 10.223 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -3.168 2.646 12.356 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.414 2.329 10.000 1.00 0.30 C ATOM 2500 CZ PHE A 155 -3.079 3.137 11.067 1.00 0.39 C ATOM 0 H PHE A 155 -5.504 -3.039 12.275 1.00 0.29 H new ATOM 0 HA PHE A 155 -6.017 -0.373 13.037 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.782 -1.333 12.532 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.229 -1.473 10.843 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.658 0.969 13.581 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -4.094 0.408 9.383 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.908 3.276 13.194 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -3.347 2.710 8.992 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.748 4.151 10.895 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.186 -1.345 10.136 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.112 -0.983 9.071 1.00 0.25 C ATOM 2512 C ALA A 156 -9.359 -0.320 9.653 1.00 0.28 C ATOM 2513 O ALA A 156 -9.774 0.745 9.198 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.521 -2.201 8.243 1.00 0.25 C ATOM 0 H ALA A 156 -6.907 -2.326 10.135 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.597 -0.281 8.416 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.212 -1.892 7.458 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.635 -2.648 7.791 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.008 -2.933 8.888 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.937 -0.943 10.681 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.153 -0.419 11.301 1.00 0.39 C ATOM 2522 C LYS A 157 -10.842 0.778 12.201 1.00 0.41 C ATOM 2523 O LYS A 157 -11.611 1.741 12.249 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.888 -1.500 12.107 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.279 -2.727 11.294 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.345 -3.886 11.579 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.569 -5.063 10.638 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.873 -5.731 10.887 1.00 0.75 N ATOM 0 H LYS A 157 -9.585 -1.805 11.099 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.806 -0.091 10.492 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -11.253 -1.814 12.936 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.788 -1.064 12.542 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.303 -3.014 11.531 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -12.253 -2.487 10.231 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -10.313 -3.546 11.491 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.485 -4.216 12.608 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.531 -4.715 9.606 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.762 -5.785 10.761 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.858 -6.686 10.476 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -13.039 -5.797 11.912 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.636 -5.178 10.448 1.00 0.75 H new ATOM 2542 N SER A 158 -9.708 0.723 12.892 1.00 0.48 N ATOM 2543 CA SER A 158 -9.310 1.786 13.813 1.00 0.58 C ATOM 2544 C SER A 158 -8.879 3.047 13.060 1.00 0.49 C ATOM 2545 O SER A 158 -8.737 4.122 13.648 1.00 0.55 O ATOM 2546 CB SER A 158 -8.177 1.296 14.717 1.00 0.81 C ATOM 2547 OG SER A 158 -8.565 0.129 15.429 1.00 1.39 O ATOM 0 H SER A 158 -9.045 -0.049 12.832 1.00 0.48 H new ATOM 0 HA SER A 158 -10.174 2.044 14.425 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.293 1.083 14.116 1.00 0.81 H new ATOM 0 HB3 SER A 158 -7.902 2.082 15.421 1.00 0.81 H new ATOM 0 HG SER A 158 -8.524 -0.647 14.832 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.660 2.907 11.762 1.00 0.43 N ATOM 2554 CA LEU A 159 -8.330 4.040 10.913 1.00 0.46 C ATOM 2555 C LEU A 159 -9.605 4.641 10.322 1.00 0.38 C ATOM 2556 O LEU A 159 -9.609 5.773 9.844 1.00 0.55 O ATOM 2557 CB LEU A 159 -7.367 3.589 9.807 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.910 4.661 8.814 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.117 5.767 9.512 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.075 4.015 7.721 1.00 0.76 C ATOM 0 H LEU A 159 -8.705 2.014 11.271 1.00 0.43 H new ATOM 0 HA LEU A 159 -7.839 4.811 11.506 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -6.482 3.163 10.279 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -7.846 2.787 9.245 1.00 0.61 H new ATOM 0 HG LEU A 159 -7.793 5.122 8.372 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.808 6.511 8.778 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.742 6.241 10.269 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -5.235 5.338 9.987 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.749 4.777 7.013 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -5.203 3.535 8.165 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.673 3.268 7.199 1.00 0.76 H new ATOM 2572 N GLY A 160 -10.694 3.879 10.378 1.00 0.31 N ATOM 2573 CA GLY A 160 -11.969 4.371 9.889 1.00 0.41 C ATOM 2574 C GLY A 160 -12.673 3.385 8.978 1.00 0.35 C ATOM 2575 O GLY A 160 -13.891 3.428 8.819 1.00 0.42 O ATOM 0 H GLY A 160 -10.716 2.931 10.753 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -12.614 4.598 10.738 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -11.810 5.305 9.351 1.00 0.41 H new ATOM 2579 N LEU A 161 -11.914 2.481 8.387 1.00 0.38 N ATOM 2580 CA LEU A 161 -12.471 1.531 7.439 1.00 0.35 C ATOM 2581 C LEU A 161 -13.089 0.331 8.150 1.00 0.37 C ATOM 2582 O LEU A 161 -13.222 0.315 9.370 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.396 1.081 6.456 1.00 0.32 C ATOM 2584 CG LEU A 161 -11.567 1.620 5.036 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.231 2.087 4.470 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.189 0.542 4.157 1.00 0.35 C ATOM 0 H LEU A 161 -10.911 2.384 8.546 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.268 2.030 6.887 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.423 1.393 6.834 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.389 -0.008 6.419 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.232 2.484 5.058 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.377 2.466 3.459 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -9.826 2.879 5.100 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -9.533 1.250 4.446 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.312 0.925 3.144 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -11.538 -0.332 4.138 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.162 0.261 4.559 1.00 0.35 H new ATOM 2598 N LYS A 162 -13.499 -0.651 7.369 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.257 -1.781 7.884 1.00 0.42 C ATOM 2600 C LYS A 162 -13.946 -3.040 7.096 1.00 0.36 C ATOM 2601 O LYS A 162 -13.505 -2.972 5.949 1.00 0.35 O ATOM 2602 CB LYS A 162 -15.771 -1.475 7.862 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.369 -1.176 6.484 1.00 0.86 C ATOM 2604 CD LYS A 162 -15.733 0.036 5.801 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.195 1.386 6.355 1.00 0.77 C ATOM 2606 NZ LYS A 162 -16.122 1.491 7.843 1.00 1.46 N ATOM 0 H LYS A 162 -13.319 -0.690 6.366 1.00 0.40 H new ATOM 0 HA LYS A 162 -13.961 -1.950 8.919 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.301 -2.326 8.291 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -15.960 -0.621 8.513 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -16.247 -2.050 5.845 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.440 -1.005 6.589 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -14.650 -0.033 5.900 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -15.958 -0.002 4.735 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -15.585 2.175 5.915 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.223 1.564 6.039 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -16.031 2.490 8.116 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -16.988 1.095 8.262 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -15.296 0.961 8.188 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.184 -4.180 7.743 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.916 -5.515 7.186 1.00 0.41 C ATOM 2622 C ASP A 163 -14.571 -5.710 5.826 1.00 0.39 C ATOM 2623 O ASP A 163 -14.165 -6.569 5.044 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.441 -6.580 8.148 1.00 0.52 C ATOM 2625 CG ASP A 163 -14.094 -7.989 7.714 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.992 -8.461 8.056 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.931 -8.636 7.050 1.00 1.81 O ATOM 0 H ASP A 163 -14.575 -4.208 8.685 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.838 -5.608 7.057 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -14.030 -6.400 9.141 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.524 -6.487 8.229 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.580 -4.899 5.556 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.305 -4.947 4.287 1.00 0.43 C ATOM 2634 C ASN A 164 -15.357 -4.677 3.123 1.00 0.38 C ATOM 2635 O ASN A 164 -15.594 -5.110 1.998 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.442 -3.919 4.287 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.289 -3.949 3.021 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.465 -5.126 2.440 1.00 2.34 O flip ATOM 2639 ND2 ASN A 164 -18.797 -2.916 2.579 1.00 1.68 N flip ATOM 0 H ASN A 164 -15.923 -4.190 6.204 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.730 -5.944 4.169 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -18.085 -4.100 5.149 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -17.019 -2.922 4.408 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -18.639 -2.027 3.053 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.375 -2.951 1.739 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.268 -3.979 3.413 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.300 -3.621 2.392 1.00 0.31 C ATOM 2648 C ASN A 165 -11.908 -4.135 2.755 1.00 0.26 C ATOM 2649 O ASN A 165 -10.906 -3.495 2.447 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.262 -2.098 2.201 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.605 -1.510 1.814 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.407 -1.146 2.674 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.855 -1.400 0.518 1.00 0.61 N ATOM 0 H ASN A 165 -14.035 -3.650 4.350 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.608 -4.089 1.457 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -12.921 -1.631 3.125 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.530 -1.853 1.431 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.739 -1.002 0.201 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.164 -1.714 -0.163 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.842 -5.284 3.424 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.551 -5.875 3.791 1.00 0.22 C ATOM 2662 C ILE A 166 -10.415 -7.294 3.229 1.00 0.24 C ATOM 2663 O ILE A 166 -11.225 -8.169 3.533 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.370 -5.920 5.334 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.711 -4.563 5.954 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.949 -6.334 5.712 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.640 -4.546 7.464 1.00 0.26 C ATOM 0 H ILE A 166 -12.656 -5.822 3.722 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.776 -5.241 3.360 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.056 -6.669 5.729 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.027 -3.812 5.559 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.715 -4.274 5.644 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.853 -6.356 6.798 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.739 -7.325 5.309 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.239 -5.617 5.300 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.895 -3.551 7.829 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.344 -5.272 7.870 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.630 -4.802 7.784 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.386 -7.517 2.408 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.127 -8.838 1.830 1.00 0.26 C ATOM 2681 C VAL A 167 -7.723 -9.309 2.232 1.00 0.26 C ATOM 2682 O VAL A 167 -6.927 -8.538 2.770 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.280 -8.860 0.267 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.015 -7.633 -0.243 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.936 -8.987 -0.449 1.00 0.72 C ATOM 0 H VAL A 167 -8.718 -6.799 2.128 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.879 -9.520 2.227 1.00 0.26 H new ATOM 0 HB VAL A 167 -9.871 -9.747 0.038 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.101 -7.685 -1.328 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.011 -7.596 0.198 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -9.462 -6.736 0.034 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.098 -8.998 -1.527 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -7.302 -8.141 -0.185 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.449 -9.914 -0.146 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.421 -10.569 1.965 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.120 -11.127 2.295 1.00 0.28 C ATOM 2697 C PHE A 168 -5.415 -11.545 1.015 1.00 0.30 C ATOM 2698 O PHE A 168 -5.974 -12.283 0.200 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.257 -12.315 3.252 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.872 -11.948 4.576 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.175 -11.166 5.488 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.145 -12.383 4.906 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.741 -10.827 6.705 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.713 -12.047 6.121 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.010 -11.270 7.021 1.00 0.40 C ATOM 0 H PHE A 168 -8.061 -11.226 1.519 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.526 -10.366 2.802 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.865 -13.085 2.778 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.272 -12.748 3.425 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.182 -10.819 5.245 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.700 -12.991 4.207 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.191 -10.217 7.406 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.707 -12.392 6.366 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.453 -11.009 7.971 1.00 0.40 H new ATOM 2715 N SER A 169 -4.194 -11.062 0.843 1.00 0.48 N ATOM 2716 CA SER A 169 -3.471 -11.215 -0.410 1.00 0.63 C ATOM 2717 C SER A 169 -3.251 -12.679 -0.770 1.00 0.50 C ATOM 2718 O SER A 169 -2.694 -13.455 0.005 1.00 0.66 O ATOM 2719 CB SER A 169 -2.143 -10.479 -0.327 1.00 1.01 C ATOM 2720 OG SER A 169 -2.352 -9.135 0.068 1.00 1.75 O ATOM 0 H SER A 169 -3.679 -10.556 1.563 1.00 0.48 H new ATOM 0 HA SER A 169 -4.079 -10.781 -1.204 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.487 -10.977 0.386 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.642 -10.508 -1.295 1.00 1.01 H new ATOM 0 HG SER A 169 -3.287 -8.889 -0.092 1.00 1.75 H new ATOM 2726 N VAL A 170 -3.710 -13.037 -1.956 1.00 0.46 N ATOM 2727 CA VAL A 170 -3.587 -14.389 -2.467 1.00 0.41 C ATOM 2728 C VAL A 170 -2.254 -14.584 -3.174 1.00 0.41 C ATOM 2729 O VAL A 170 -1.847 -13.745 -3.982 1.00 0.43 O ATOM 2730 CB VAL A 170 -4.734 -14.682 -3.455 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -4.612 -16.064 -4.076 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.069 -14.500 -2.765 1.00 0.57 C ATOM 0 H VAL A 170 -4.180 -12.395 -2.594 1.00 0.46 H new ATOM 0 HA VAL A 170 -3.640 -15.077 -1.623 1.00 0.41 H new ATOM 0 HB VAL A 170 -4.665 -13.968 -4.275 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.441 -16.228 -4.765 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -3.669 -16.137 -4.618 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -4.639 -16.819 -3.291 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -6.874 -14.709 -3.469 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.139 -15.186 -1.921 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.157 -13.474 -2.407 1.00 0.57 H new ATOM 2742 N PRO A 171 -1.544 -15.677 -2.862 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.335 -16.060 -3.585 1.00 0.54 C ATOM 2744 C PRO A 171 -0.676 -16.539 -4.995 1.00 0.54 C ATOM 2745 O PRO A 171 -0.733 -17.738 -5.269 1.00 0.62 O ATOM 2746 CB PRO A 171 0.254 -17.193 -2.740 1.00 0.66 C ATOM 2747 CG PRO A 171 -0.900 -17.754 -1.982 1.00 0.83 C ATOM 2748 CD PRO A 171 -1.865 -16.618 -1.773 1.00 0.57 C ATOM 0 HA PRO A 171 0.362 -15.232 -3.715 1.00 0.54 H new ATOM 0 HB2 PRO A 171 0.719 -17.952 -3.369 1.00 0.66 H new ATOM 0 HB3 PRO A 171 1.025 -16.821 -2.065 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -1.371 -18.566 -2.536 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.574 -18.167 -1.027 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -2.899 -16.957 -1.829 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -1.733 -16.157 -0.794 1.00 0.57 H new ATOM 2756 N THR A 172 -0.926 -15.578 -5.870 1.00 0.65 N ATOM 2757 CA THR A 172 -1.340 -15.848 -7.235 1.00 0.78 C ATOM 2758 C THR A 172 -0.211 -16.492 -8.037 1.00 0.73 C ATOM 2759 O THR A 172 0.965 -16.400 -7.663 1.00 0.72 O ATOM 2760 CB THR A 172 -1.788 -14.537 -7.922 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.230 -14.783 -9.264 1.00 1.78 O ATOM 2762 CG2 THR A 172 -0.665 -13.507 -7.930 1.00 0.81 C ATOM 0 H THR A 172 -0.847 -14.585 -5.651 1.00 0.65 H new ATOM 0 HA THR A 172 -2.177 -16.545 -7.202 1.00 0.78 H new ATOM 0 HB THR A 172 -2.622 -14.138 -7.345 1.00 1.07 H new ATOM 0 HG1 THR A 172 -2.510 -13.939 -9.676 1.00 1.78 H new ATOM 0 HG21 THR A 172 -1.010 -12.596 -8.419 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.373 -13.280 -6.905 1.00 0.81 H new ATOM 0 HG23 THR A 172 0.192 -13.907 -8.471 1.00 0.81 H new ATOM 2770 N ASP A 173 -0.583 -17.161 -9.124 1.00 0.75 N ATOM 2771 CA ASP A 173 0.383 -17.717 -10.049 1.00 0.80 C ATOM 2772 C ASP A 173 1.051 -16.594 -10.812 1.00 0.77 C ATOM 2773 O ASP A 173 0.617 -16.208 -11.899 1.00 0.86 O ATOM 2774 CB ASP A 173 -0.295 -18.666 -11.028 1.00 0.99 C ATOM 2775 CG ASP A 173 -0.522 -20.050 -10.461 1.00 1.34 C ATOM 2776 OD1 ASP A 173 0.448 -20.834 -10.397 1.00 1.55 O ATOM 2777 OD2 ASP A 173 -1.677 -20.370 -10.105 1.00 1.94 O ATOM 0 H ASP A 173 -1.555 -17.329 -9.382 1.00 0.75 H new ATOM 0 HA ASP A 173 1.129 -18.276 -9.484 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.253 -18.243 -11.329 1.00 0.99 H new ATOM 0 HB3 ASP A 173 0.315 -18.745 -11.928 1.00 0.99 H new ATOM 2782 N GLN A 174 2.103 -16.075 -10.229 1.00 0.78 N ATOM 2783 CA GLN A 174 2.783 -14.924 -10.776 1.00 0.94 C ATOM 2784 C GLN A 174 4.233 -14.910 -10.310 1.00 0.89 C ATOM 2785 O GLN A 174 4.569 -15.480 -9.268 1.00 1.21 O ATOM 2786 CB GLN A 174 2.029 -13.665 -10.337 1.00 1.17 C ATOM 2787 CG GLN A 174 2.433 -12.387 -11.039 1.00 1.69 C ATOM 2788 CD GLN A 174 3.157 -11.437 -10.132 1.00 2.98 C ATOM 2789 OE1 GLN A 174 4.365 -11.467 -10.046 1.00 3.60 O ATOM 2790 NE2 GLN A 174 2.410 -10.593 -9.440 1.00 3.76 N ATOM 0 H GLN A 174 2.511 -16.435 -9.366 1.00 0.78 H new ATOM 0 HA GLN A 174 2.795 -14.962 -11.865 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.963 -13.826 -10.498 1.00 1.17 H new ATOM 0 HB3 GLN A 174 2.173 -13.531 -9.265 1.00 1.17 H new ATOM 0 HG2 GLN A 174 3.071 -12.629 -11.889 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.544 -11.898 -11.437 1.00 1.69 H new ATOM 0 HE21 GLN A 174 1.396 -10.605 -9.546 1.00 3.76 H new ATOM 0 HE22 GLN A 174 2.848 -9.930 -8.801 1.00 3.76 H new ATOM 2799 N CYS A 175 5.080 -14.263 -11.087 1.00 0.79 N ATOM 2800 CA CYS A 175 6.524 -14.248 -10.848 1.00 0.85 C ATOM 2801 C CYS A 175 6.890 -13.178 -9.821 1.00 1.02 C ATOM 2802 O CYS A 175 7.840 -12.420 -9.999 1.00 2.06 O ATOM 2803 CB CYS A 175 7.234 -13.971 -12.171 1.00 0.90 C ATOM 2804 SG CYS A 175 6.412 -14.740 -13.609 1.00 1.07 S ATOM 0 H CYS A 175 4.792 -13.729 -11.907 1.00 0.79 H new ATOM 0 HA CYS A 175 6.836 -15.214 -10.452 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.289 -12.894 -12.327 1.00 0.90 H new ATOM 0 HB3 CYS A 175 8.259 -14.337 -12.109 1.00 0.90 H new ATOM 2809 N ILE A 176 6.137 -13.155 -8.734 1.00 0.60 N ATOM 2810 CA ILE A 176 6.162 -12.050 -7.785 1.00 0.56 C ATOM 2811 C ILE A 176 7.288 -12.211 -6.766 1.00 0.80 C ATOM 2812 O ILE A 176 7.683 -11.252 -6.099 1.00 1.52 O ATOM 2813 CB ILE A 176 4.776 -11.956 -7.085 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.659 -10.724 -6.178 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.473 -13.234 -6.315 1.00 0.81 C ATOM 2816 CD1 ILE A 176 5.019 -10.963 -4.721 1.00 0.65 C ATOM 0 H ILE A 176 5.490 -13.902 -8.483 1.00 0.60 H new ATOM 0 HA ILE A 176 6.359 -11.123 -8.323 1.00 0.56 H new ATOM 0 HB ILE A 176 4.029 -11.838 -7.870 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.304 -9.939 -6.572 1.00 0.46 H new ATOM 0 HG13 ILE A 176 3.636 -10.351 -6.227 1.00 0.46 H new ATOM 0 HG21 ILE A 176 3.499 -13.146 -5.833 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.463 -14.079 -7.003 1.00 0.81 H new ATOM 0 HG23 ILE A 176 5.240 -13.392 -5.557 1.00 0.81 H new ATOM 0 HD11 ILE A 176 4.905 -10.035 -4.161 1.00 0.65 H new ATOM 0 HD12 ILE A 176 4.358 -11.722 -4.303 1.00 0.65 H new ATOM 0 HD13 ILE A 176 6.052 -11.304 -4.653 1.00 0.65 H new ATOM 2828 N ASP A 177 7.832 -13.413 -6.672 1.00 0.96 N ATOM 2829 CA ASP A 177 8.844 -13.705 -5.668 1.00 1.17 C ATOM 2830 C ASP A 177 10.224 -13.275 -6.159 1.00 1.20 C ATOM 2831 O ASP A 177 11.067 -14.112 -6.488 1.00 1.77 O ATOM 2832 CB ASP A 177 8.839 -15.197 -5.342 1.00 1.56 C ATOM 2833 CG ASP A 177 9.013 -15.472 -3.865 1.00 2.20 C ATOM 2834 OD1 ASP A 177 7.993 -15.489 -3.148 1.00 2.72 O ATOM 2835 OD2 ASP A 177 10.158 -15.704 -3.421 1.00 2.64 O ATOM 0 H ASP A 177 7.592 -14.200 -7.275 1.00 0.96 H new ATOM 0 HA ASP A 177 8.611 -13.144 -4.763 1.00 1.17 H new ATOM 0 HB2 ASP A 177 7.901 -15.636 -5.681 1.00 1.56 H new ATOM 0 HB3 ASP A 177 9.639 -15.688 -5.896 1.00 1.56 H new ATOM 2840 N ASN A 178 10.435 -11.966 -6.230 1.00 1.25 N ATOM 2841 CA ASN A 178 11.700 -11.410 -6.695 1.00 1.44 C ATOM 2842 C ASN A 178 12.703 -11.359 -5.545 1.00 1.68 C ATOM 2843 O ASN A 178 12.989 -10.259 -5.040 1.00 2.24 O ATOM 2844 CB ASN A 178 11.465 -10.007 -7.293 1.00 1.56 C ATOM 2845 CG ASN A 178 12.664 -9.439 -8.053 1.00 2.49 C ATOM 2846 OD1 ASN A 178 13.868 -9.652 -7.551 1.00 3.26 O flip ATOM 2847 ND2 ASN A 178 12.500 -8.775 -9.075 1.00 3.01 N flip ATOM 2848 OXT ASN A 178 13.202 -12.429 -5.144 1.00 1.94 O ATOM 0 H ASN A 178 9.741 -11.265 -5.969 1.00 1.25 H new ATOM 0 HA ASN A 178 12.114 -12.049 -7.475 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.610 -10.051 -7.967 1.00 1.56 H new ATOM 0 HB3 ASN A 178 11.202 -9.321 -6.488 1.00 1.56 H new ATOM 0 HD21 ASN A 178 11.560 -8.626 -9.441 1.00 3.01 H new ATOM 0 HD22 ASN A 178 13.304 -8.373 -9.557 1.00 3.01 H new TER 2855 ASN A 178