USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1124 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 147 THR OG1 : rot 175:sc= 0.255 USER MOD Set 1.2: A 151 ASN : amide:sc= -2.58! C(o=-2.3!,f=-2.9!) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.47! C(o=-0.15!,f=-4.4!) USER MOD Set 2.2: A 70 ASN : amide:sc= -0.31 K(o=-0.15,f=-1.1) USER MOD Set 2.3: A 85 THR OG1 : rot -176:sc= 1.63 USER MOD Set 3.1: A 76 ASN : amide:sc= 0.87 K(o=0.9,f=-4.4!) USER MOD Set 3.2: A 78 THR OG1 : rot 83:sc= 0.0347 USER MOD Set 4.1: A 63 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.2!) USER MOD Set 4.2: A 155 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 60 LYS NZ :NH3+ 140:sc= -3.92! (180deg=-5.33!) USER MOD Set 5.2: A 62 THR OG1 : rot -172:sc= 1.1 USER MOD Set 6.1: A 53 TYR OH : rot 177:sc= -0.136 USER MOD Set 6.2: A 83 TYR OH : rot 77:sc= 1.39 USER MOD Set 7.1: A 45 ASN :FLIP amide:sc= 0.4 F(o=0.0073,f=0.81) USER MOD Set 7.2: A 46 THR OG1 : rot 180:sc= 0.409 USER MOD Set 8.1: A 26 ASN : amide:sc= -1.74! C(o=-3.1!,f=-4!) USER MOD Set 8.2: A 35 TYR OH : rot -153:sc= -1.35! USER MOD Set 9.1: A 10 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0) USER MOD Set 9.2: A 96 SER OG : rot 118:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0848 (180deg=-0.586) USER MOD Single : A 1 MET N :NH3+ 178:sc=-0.00123 (180deg=-0.0228) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 45:sc= -0.0387 USER MOD Single : A 6 SER OG : rot 76:sc= 0.951 USER MOD Single : A 8 SER OG : rot 66:sc= 0.317 USER MOD Single : A 9 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.6!) USER MOD Single : A 11 SER OG : rot -163:sc= 1.18 USER MOD Single : A 12 GLN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 13 ASN : amide:sc= 1.14 K(o=1.1,f=-0.053) USER MOD Single : A 16 SER OG : rot -97:sc= 1.32 USER MOD Single : A 19 MET CE :methyl -120:sc= -0.761 (180deg=-4.1!) USER MOD Single : A 20 SER OG : rot 82:sc= 1.09 USER MOD Single : A 22 THR OG1 : rot -168:sc= -0.761! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.182 K(o=-0.18,f=-6.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 133:sc= 0.428 USER MOD Single : A 36 SER OG : rot -32:sc= 0.212 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 41 THR OG1 : rot 109:sc= 0.736 USER MOD Single : A 47 SER OG : rot -35:sc= 0.82 USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= 0.669 (180deg=-0.159) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00554 X(o=-0.0055,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 87 THR OG1 : rot 29:sc= -0.0492 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.0356 (180deg=-0.171) USER MOD Single : A 99 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 101 ASN :FLIP amide:sc= -0.0263 F(o=-3.2!,f=-0.026) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00871 USER MOD Single : A 105 SER OG : rot 102:sc= 0.964 USER MOD Single : A 107 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0.43) USER MOD Single : A 109 TYR OH : rot -15:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -2.13! X(o=-2.1!,f=-2.5) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.131 K(o=-0.13,f=-6.3!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00781 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0583 K(o=-0.058,f=-2.9!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 128 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.51) USER MOD Single : A 131 LYS NZ :NH3+ -178:sc= -7.65! (180deg=-8.27!) USER MOD Single : A 132 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 133 THR OG1 : rot 43:sc= 0.0321 USER MOD Single : A 136 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 142 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 145 LYS NZ :NH3+ 150:sc= 1.23 (180deg=1.08) USER MOD Single : A 146 ASN :FLIP amide:sc= -0.28 F(o=-2.3!,f=-0.28) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot -51:sc= 0.333 USER MOD Single : A 152 LYS NZ :NH3+ -116:sc= -2.16! (180deg=-5.85!) USER MOD Single : A 154 THR OG1 : rot -9:sc= 0.715! USER MOD Single : A 157 MET CE :methyl -145:sc= -1.06 (180deg=-2.41!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.254 0.504 -4.394 1.00 7.47 N ATOM 2 CA MET A 1 -23.833 -0.354 -3.338 1.00 7.05 C ATOM 3 C MET A 1 -23.374 -1.800 -3.497 1.00 6.18 C ATOM 4 O MET A 1 -23.824 -2.518 -4.390 1.00 6.26 O ATOM 5 CB MET A 1 -25.370 -0.272 -3.356 1.00 7.58 C ATOM 6 CG MET A 1 -26.006 -0.608 -4.698 1.00 8.43 C ATOM 7 SD MET A 1 -27.809 -0.626 -4.630 1.00 9.37 S ATOM 8 CE MET A 1 -28.145 1.068 -4.148 1.00 9.99 C ATOM 0 H1 MET A 1 -23.608 1.476 -4.284 1.00 7.47 H new ATOM 0 H2 MET A 1 -22.217 0.502 -4.313 1.00 7.47 H new ATOM 0 H3 MET A 1 -23.529 0.139 -5.328 1.00 7.47 H new ATOM 0 HA MET A 1 -23.478 0.011 -2.374 1.00 7.05 H new ATOM 0 HB2 MET A 1 -25.766 -0.951 -2.601 1.00 7.58 H new ATOM 0 HB3 MET A 1 -25.671 0.735 -3.068 1.00 7.58 H new ATOM 0 HG2 MET A 1 -25.682 0.120 -5.441 1.00 8.43 H new ATOM 0 HG3 MET A 1 -25.649 -1.583 -5.030 1.00 8.43 H new ATOM 0 HE1 MET A 1 -29.185 1.310 -4.369 1.00 9.99 H new ATOM 0 HE2 MET A 1 -27.964 1.185 -3.079 1.00 9.99 H new ATOM 0 HE3 MET A 1 -27.491 1.741 -4.702 1.00 9.99 H new ATOM 20 N GLU A 2 -22.456 -2.214 -2.636 1.00 5.66 N ATOM 21 CA GLU A 2 -21.978 -3.589 -2.625 1.00 5.12 C ATOM 22 C GLU A 2 -21.443 -3.939 -1.243 1.00 4.18 C ATOM 23 O GLU A 2 -20.506 -3.304 -0.755 1.00 4.52 O ATOM 24 CB GLU A 2 -20.875 -3.803 -3.672 1.00 5.99 C ATOM 25 CG GLU A 2 -20.460 -5.259 -3.818 1.00 6.56 C ATOM 26 CD GLU A 2 -19.276 -5.461 -4.745 1.00 7.11 C ATOM 27 OE1 GLU A 2 -19.422 -5.250 -5.964 1.00 7.54 O ATOM 28 OE2 GLU A 2 -18.190 -5.841 -4.253 1.00 7.34 O ATOM 0 H GLU A 2 -22.025 -1.614 -1.932 1.00 5.66 H new ATOM 0 HA GLU A 2 -22.817 -4.240 -2.872 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -21.222 -3.433 -4.637 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -20.003 -3.209 -3.398 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -20.213 -5.659 -2.834 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -21.307 -5.834 -4.193 1.00 6.56 H new ATOM 35 N GLN A 3 -22.033 -4.951 -0.619 1.00 3.35 N ATOM 36 CA GLN A 3 -21.579 -5.424 0.686 1.00 2.68 C ATOM 37 C GLN A 3 -20.333 -6.289 0.531 1.00 1.97 C ATOM 38 O GLN A 3 -20.270 -7.403 1.052 1.00 2.24 O ATOM 39 CB GLN A 3 -22.683 -6.227 1.382 1.00 2.90 C ATOM 40 CG GLN A 3 -23.872 -5.389 1.816 1.00 3.57 C ATOM 41 CD GLN A 3 -24.905 -6.207 2.563 1.00 4.03 C ATOM 42 OE1 GLN A 3 -24.827 -6.361 3.783 1.00 4.48 O ATOM 43 NE2 GLN A 3 -25.892 -6.719 1.849 1.00 4.40 N ATOM 0 H GLN A 3 -22.830 -5.463 -0.996 1.00 3.35 H new ATOM 0 HA GLN A 3 -21.337 -4.555 1.298 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -23.030 -7.010 0.708 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -22.262 -6.723 2.256 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -23.527 -4.574 2.452 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -24.334 -4.936 0.939 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -25.923 -6.570 0.840 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -26.623 -7.263 2.306 1.00 4.40 H new ATOM 52 N SER A 4 -19.337 -5.740 -0.164 1.00 1.43 N ATOM 53 CA SER A 4 -18.144 -6.478 -0.564 1.00 0.82 C ATOM 54 C SER A 4 -18.519 -7.854 -1.109 1.00 0.93 C ATOM 55 O SER A 4 -18.274 -8.882 -0.484 1.00 1.64 O ATOM 56 CB SER A 4 -17.112 -6.570 0.577 1.00 0.60 C ATOM 57 OG SER A 4 -17.705 -6.963 1.801 1.00 1.23 O ATOM 0 H SER A 4 -19.337 -4.766 -0.466 1.00 1.43 H new ATOM 0 HA SER A 4 -17.662 -5.922 -1.368 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.335 -7.284 0.305 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.626 -5.603 0.704 1.00 0.60 H new ATOM 0 HG SER A 4 -18.313 -7.715 1.643 1.00 1.23 H new ATOM 63 N ALA A 5 -19.155 -7.852 -2.275 1.00 1.31 N ATOM 64 CA ALA A 5 -19.552 -9.086 -2.935 1.00 1.41 C ATOM 65 C ALA A 5 -18.369 -9.666 -3.684 1.00 1.33 C ATOM 66 O ALA A 5 -18.415 -10.781 -4.192 1.00 1.96 O ATOM 67 CB ALA A 5 -20.716 -8.839 -3.883 1.00 1.72 C ATOM 0 H ALA A 5 -19.407 -7.004 -2.783 1.00 1.31 H new ATOM 0 HA ALA A 5 -19.880 -9.800 -2.180 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -20.997 -9.775 -4.366 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -21.566 -8.451 -3.322 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -20.420 -8.114 -4.641 1.00 1.72 H new ATOM 73 N SER A 6 -17.304 -8.883 -3.741 1.00 1.05 N ATOM 74 CA SER A 6 -16.063 -9.302 -4.366 1.00 0.98 C ATOM 75 C SER A 6 -15.106 -9.842 -3.306 1.00 0.84 C ATOM 76 O SER A 6 -13.915 -10.041 -3.563 1.00 0.79 O ATOM 77 CB SER A 6 -15.438 -8.108 -5.085 1.00 1.17 C ATOM 78 OG SER A 6 -16.418 -7.393 -5.824 1.00 1.25 O ATOM 0 H SER A 6 -17.277 -7.939 -3.355 1.00 1.05 H new ATOM 0 HA SER A 6 -16.263 -10.093 -5.088 1.00 0.98 H new ATOM 0 HB2 SER A 6 -14.969 -7.445 -4.358 1.00 1.17 H new ATOM 0 HB3 SER A 6 -14.651 -8.453 -5.755 1.00 1.17 H new ATOM 0 HG SER A 6 -16.967 -6.862 -5.210 1.00 1.25 H new ATOM 84 N ASP A 7 -15.657 -10.112 -2.121 1.00 0.83 N ATOM 85 CA ASP A 7 -14.870 -10.477 -0.947 1.00 0.77 C ATOM 86 C ASP A 7 -14.248 -11.862 -1.089 1.00 0.72 C ATOM 87 O ASP A 7 -13.335 -12.214 -0.347 1.00 0.82 O ATOM 88 CB ASP A 7 -15.746 -10.448 0.311 1.00 0.85 C ATOM 89 CG ASP A 7 -16.471 -11.761 0.556 1.00 0.92 C ATOM 90 OD1 ASP A 7 -17.321 -12.146 -0.277 1.00 1.18 O ATOM 91 OD2 ASP A 7 -16.181 -12.422 1.578 1.00 1.36 O ATOM 0 H ASP A 7 -16.662 -10.083 -1.951 1.00 0.83 H new ATOM 0 HA ASP A 7 -14.066 -9.746 -0.859 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -15.124 -10.215 1.175 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -16.478 -9.646 0.220 1.00 0.85 H new ATOM 96 N SER A 8 -14.753 -12.646 -2.027 1.00 0.69 N ATOM 97 CA SER A 8 -14.244 -13.988 -2.239 1.00 0.75 C ATOM 98 C SER A 8 -13.531 -14.101 -3.585 1.00 0.78 C ATOM 99 O SER A 8 -12.531 -14.809 -3.712 1.00 1.03 O ATOM 100 CB SER A 8 -15.393 -14.992 -2.166 1.00 0.89 C ATOM 101 OG SER A 8 -16.131 -14.836 -0.961 1.00 1.49 O ATOM 0 H SER A 8 -15.513 -12.376 -2.652 1.00 0.69 H new ATOM 0 HA SER A 8 -13.519 -14.209 -1.456 1.00 0.75 H new ATOM 0 HB2 SER A 8 -16.054 -14.856 -3.022 1.00 0.89 H new ATOM 0 HB3 SER A 8 -14.999 -16.006 -2.226 1.00 0.89 H new ATOM 0 HG SER A 8 -16.578 -13.964 -0.962 1.00 1.49 H new ATOM 107 N ASN A 9 -14.047 -13.392 -4.583 1.00 0.73 N ATOM 108 CA ASN A 9 -13.534 -13.497 -5.947 1.00 0.82 C ATOM 109 C ASN A 9 -12.198 -12.772 -6.102 1.00 0.77 C ATOM 110 O ASN A 9 -11.170 -13.391 -6.389 1.00 0.86 O ATOM 111 CB ASN A 9 -14.554 -12.906 -6.929 1.00 0.94 C ATOM 112 CG ASN A 9 -14.237 -13.213 -8.388 1.00 1.48 C ATOM 113 OD1 ASN A 9 -13.095 -13.481 -8.755 1.00 2.27 O ATOM 114 ND2 ASN A 9 -15.250 -13.143 -9.238 1.00 2.04 N ATOM 0 H ASN A 9 -14.821 -12.737 -4.474 1.00 0.73 H new ATOM 0 HA ASN A 9 -13.374 -14.553 -6.165 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -15.544 -13.294 -6.690 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -14.594 -11.825 -6.793 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -15.095 -13.314 -10.232 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -16.185 -12.918 -8.899 1.00 2.04 H new ATOM 121 N LYS A 10 -12.199 -11.466 -5.872 1.00 0.72 N ATOM 122 CA LYS A 10 -11.038 -10.648 -6.194 1.00 0.75 C ATOM 123 C LYS A 10 -9.972 -10.758 -5.112 1.00 0.70 C ATOM 124 O LYS A 10 -8.787 -10.587 -5.382 1.00 0.76 O ATOM 125 CB LYS A 10 -11.439 -9.184 -6.404 1.00 0.83 C ATOM 126 CG LYS A 10 -10.321 -8.330 -6.990 1.00 0.99 C ATOM 127 CD LYS A 10 -10.804 -6.944 -7.383 1.00 1.03 C ATOM 128 CE LYS A 10 -9.722 -6.181 -8.132 1.00 1.11 C ATOM 129 NZ LYS A 10 -10.234 -4.912 -8.708 1.00 1.56 N ATOM 0 H LYS A 10 -12.983 -10.954 -5.467 1.00 0.72 H new ATOM 0 HA LYS A 10 -10.617 -11.025 -7.126 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -12.303 -9.143 -7.067 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -11.749 -8.759 -5.449 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -9.515 -8.239 -6.261 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -9.905 -8.830 -7.865 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -11.693 -7.029 -8.008 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -11.093 -6.389 -6.490 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -8.896 -5.964 -7.455 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -9.324 -6.807 -8.931 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -9.542 -4.534 -9.386 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -11.135 -5.091 -9.196 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -10.385 -4.221 -7.946 1.00 1.56 H new ATOM 143 N SER A 11 -10.396 -11.066 -3.896 1.00 0.65 N ATOM 144 CA SER A 11 -9.479 -11.174 -2.772 1.00 0.64 C ATOM 145 C SER A 11 -8.449 -12.279 -3.004 1.00 0.66 C ATOM 146 O SER A 11 -7.248 -12.020 -3.072 1.00 0.67 O ATOM 147 CB SER A 11 -10.275 -11.455 -1.502 1.00 0.67 C ATOM 148 OG SER A 11 -11.174 -12.528 -1.716 1.00 1.52 O ATOM 0 H SER A 11 -11.372 -11.246 -3.662 1.00 0.65 H new ATOM 0 HA SER A 11 -8.939 -10.233 -2.668 1.00 0.64 H new ATOM 0 HB2 SER A 11 -9.596 -11.697 -0.685 1.00 0.67 H new ATOM 0 HB3 SER A 11 -10.826 -10.563 -1.205 1.00 0.67 H new ATOM 0 HG SER A 11 -11.857 -12.528 -1.013 1.00 1.52 H new ATOM 154 N GLN A 12 -8.938 -13.501 -3.160 1.00 0.72 N ATOM 155 CA GLN A 12 -8.078 -14.663 -3.321 1.00 0.81 C ATOM 156 C GLN A 12 -7.202 -14.540 -4.562 1.00 0.79 C ATOM 157 O GLN A 12 -6.025 -14.900 -4.535 1.00 0.85 O ATOM 158 CB GLN A 12 -8.917 -15.934 -3.396 1.00 0.95 C ATOM 159 CG GLN A 12 -9.769 -16.171 -2.161 1.00 1.19 C ATOM 160 CD GLN A 12 -10.545 -17.468 -2.239 1.00 1.74 C ATOM 161 OE1 GLN A 12 -10.069 -18.518 -1.803 1.00 2.34 O ATOM 162 NE2 GLN A 12 -11.741 -17.409 -2.800 1.00 2.40 N ATOM 0 H GLN A 12 -9.935 -13.713 -3.178 1.00 0.72 H new ATOM 0 HA GLN A 12 -7.423 -14.716 -2.451 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -9.566 -15.881 -4.270 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -8.256 -16.788 -3.541 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -9.130 -16.185 -1.278 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -10.465 -15.341 -2.037 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -12.098 -16.519 -3.148 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -12.307 -18.253 -2.885 1.00 2.40 H new ATOM 171 N ASN A 13 -7.769 -14.015 -5.645 1.00 0.77 N ATOM 172 CA ASN A 13 -7.022 -13.862 -6.889 1.00 0.81 C ATOM 173 C ASN A 13 -5.948 -12.788 -6.759 1.00 0.73 C ATOM 174 O ASN A 13 -4.893 -12.878 -7.387 1.00 0.76 O ATOM 175 CB ASN A 13 -7.951 -13.539 -8.066 1.00 0.95 C ATOM 176 CG ASN A 13 -8.656 -14.768 -8.611 1.00 1.41 C ATOM 177 OD1 ASN A 13 -8.109 -15.487 -9.446 1.00 2.14 O ATOM 178 ND2 ASN A 13 -9.877 -15.007 -8.163 1.00 1.63 N ATOM 0 H ASN A 13 -8.735 -13.691 -5.686 1.00 0.77 H new ATOM 0 HA ASN A 13 -6.535 -14.816 -7.090 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -8.696 -12.810 -7.746 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -7.372 -13.074 -8.864 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -10.399 -15.811 -8.510 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -10.296 -14.387 -7.470 1.00 1.63 H new ATOM 185 N ALA A 14 -6.208 -11.781 -5.938 1.00 0.69 N ATOM 186 CA ALA A 14 -5.234 -10.722 -5.711 1.00 0.66 C ATOM 187 C ALA A 14 -4.079 -11.229 -4.859 1.00 0.59 C ATOM 188 O ALA A 14 -2.922 -11.158 -5.272 1.00 0.61 O ATOM 189 CB ALA A 14 -5.887 -9.516 -5.053 1.00 0.68 C ATOM 0 H ALA A 14 -7.080 -11.674 -5.420 1.00 0.69 H new ATOM 0 HA ALA A 14 -4.841 -10.413 -6.680 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -5.139 -8.739 -4.894 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -6.677 -9.133 -5.699 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -6.313 -9.811 -4.094 1.00 0.68 H new ATOM 195 N ILE A 15 -4.406 -11.765 -3.682 1.00 0.59 N ATOM 196 CA ILE A 15 -3.397 -12.256 -2.745 1.00 0.60 C ATOM 197 C ILE A 15 -2.465 -13.263 -3.418 1.00 0.59 C ATOM 198 O ILE A 15 -1.246 -13.134 -3.339 1.00 0.59 O ATOM 199 CB ILE A 15 -4.046 -12.889 -1.481 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.385 -11.813 -0.437 1.00 0.87 C ATOM 201 CG2 ILE A 15 -3.141 -13.946 -0.857 1.00 0.77 C ATOM 202 CD1 ILE A 15 -5.425 -10.807 -0.881 1.00 1.80 C ATOM 0 H ILE A 15 -5.366 -11.870 -3.355 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.810 -11.394 -2.428 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.968 -13.372 -1.803 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.738 -12.304 0.470 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -3.471 -11.279 -0.175 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.626 -14.367 0.024 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -2.954 -14.738 -1.582 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -2.195 -13.489 -0.566 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -5.600 -10.087 -0.081 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -5.069 -10.284 -1.769 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -6.356 -11.324 -1.114 1.00 1.80 H new ATOM 214 N SER A 16 -3.048 -14.237 -4.111 1.00 0.64 N ATOM 215 CA SER A 16 -2.273 -15.291 -4.759 1.00 0.70 C ATOM 216 C SER A 16 -1.267 -14.719 -5.761 1.00 0.69 C ATOM 217 O SER A 16 -0.127 -15.181 -5.853 1.00 0.79 O ATOM 218 CB SER A 16 -3.215 -16.273 -5.455 1.00 0.81 C ATOM 219 OG SER A 16 -4.148 -15.593 -6.280 1.00 1.28 O ATOM 0 H SER A 16 -4.057 -14.318 -4.239 1.00 0.64 H new ATOM 0 HA SER A 16 -1.707 -15.815 -3.989 1.00 0.70 H new ATOM 0 HB2 SER A 16 -2.635 -16.972 -6.057 1.00 0.81 H new ATOM 0 HB3 SER A 16 -3.748 -16.861 -4.708 1.00 0.81 H new ATOM 0 HG SER A 16 -4.993 -15.482 -5.796 1.00 1.28 H new ATOM 225 N GLU A 17 -1.686 -13.694 -6.490 1.00 0.68 N ATOM 226 CA GLU A 17 -0.854 -13.111 -7.527 1.00 0.75 C ATOM 227 C GLU A 17 0.227 -12.213 -6.925 1.00 0.69 C ATOM 228 O GLU A 17 1.394 -12.274 -7.323 1.00 0.75 O ATOM 229 CB GLU A 17 -1.721 -12.316 -8.502 1.00 0.88 C ATOM 230 CG GLU A 17 -0.981 -11.880 -9.752 1.00 1.30 C ATOM 231 CD GLU A 17 -1.847 -11.067 -10.686 1.00 1.49 C ATOM 232 OE1 GLU A 17 -2.858 -11.603 -11.185 1.00 2.07 O ATOM 233 OE2 GLU A 17 -1.532 -9.880 -10.910 1.00 1.70 O ATOM 0 H GLU A 17 -2.598 -13.251 -6.380 1.00 0.68 H new ATOM 0 HA GLU A 17 -0.358 -13.919 -8.065 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -2.579 -12.923 -8.790 1.00 0.88 H new ATOM 0 HB3 GLU A 17 -2.110 -11.434 -7.994 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -0.109 -11.292 -9.467 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -0.613 -12.761 -10.278 1.00 1.30 H new ATOM 240 N VAL A 18 -0.161 -11.396 -5.954 1.00 0.64 N ATOM 241 CA VAL A 18 0.761 -10.441 -5.349 1.00 0.69 C ATOM 242 C VAL A 18 1.837 -11.149 -4.529 1.00 0.67 C ATOM 243 O VAL A 18 3.022 -10.836 -4.666 1.00 0.76 O ATOM 244 CB VAL A 18 0.027 -9.410 -4.463 1.00 0.75 C ATOM 245 CG1 VAL A 18 1.010 -8.412 -3.868 1.00 1.59 C ATOM 246 CG2 VAL A 18 -1.041 -8.679 -5.263 1.00 1.43 C ATOM 0 H VAL A 18 -1.105 -11.375 -5.569 1.00 0.64 H new ATOM 0 HA VAL A 18 1.237 -9.908 -6.172 1.00 0.69 H new ATOM 0 HB VAL A 18 -0.455 -9.950 -3.648 1.00 0.75 H new ATOM 0 HG11 VAL A 18 0.471 -7.696 -3.248 1.00 1.59 H new ATOM 0 HG12 VAL A 18 1.742 -8.942 -3.258 1.00 1.59 H new ATOM 0 HG13 VAL A 18 1.522 -7.883 -4.671 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -1.546 -7.957 -4.621 1.00 1.43 H new ATOM 0 HG22 VAL A 18 -0.576 -8.157 -6.099 1.00 1.43 H new ATOM 0 HG23 VAL A 18 -1.767 -9.398 -5.643 1.00 1.43 H new ATOM 256 N MET A 19 1.436 -12.130 -3.721 1.00 0.65 N ATOM 257 CA MET A 19 2.379 -12.847 -2.861 1.00 0.75 C ATOM 258 C MET A 19 3.429 -13.581 -3.692 1.00 0.74 C ATOM 259 O MET A 19 4.521 -13.889 -3.209 1.00 0.78 O ATOM 260 CB MET A 19 1.654 -13.834 -1.939 1.00 0.89 C ATOM 261 CG MET A 19 1.062 -15.041 -2.657 1.00 1.25 C ATOM 262 SD MET A 19 0.275 -16.202 -1.520 1.00 2.00 S ATOM 263 CE MET A 19 -0.251 -17.486 -2.652 1.00 2.13 C ATOM 0 H MET A 19 0.469 -12.446 -3.643 1.00 0.65 H new ATOM 0 HA MET A 19 2.881 -12.105 -2.241 1.00 0.75 H new ATOM 0 HB2 MET A 19 2.353 -14.184 -1.179 1.00 0.89 H new ATOM 0 HB3 MET A 19 0.854 -13.307 -1.418 1.00 0.89 H new ATOM 0 HG2 MET A 19 0.330 -14.701 -3.389 1.00 1.25 H new ATOM 0 HG3 MET A 19 1.850 -15.554 -3.208 1.00 1.25 H new ATOM 0 HE1 MET A 19 -1.334 -17.594 -2.601 1.00 2.13 H new ATOM 0 HE2 MET A 19 0.040 -17.217 -3.668 1.00 2.13 H new ATOM 0 HE3 MET A 19 0.221 -18.429 -2.377 1.00 2.13 H new ATOM 273 N SER A 20 3.096 -13.862 -4.944 1.00 0.75 N ATOM 274 CA SER A 20 4.037 -14.485 -5.857 1.00 0.82 C ATOM 275 C SER A 20 5.147 -13.502 -6.227 1.00 0.82 C ATOM 276 O SER A 20 6.315 -13.879 -6.340 1.00 0.90 O ATOM 277 CB SER A 20 3.311 -14.972 -7.112 1.00 0.91 C ATOM 278 OG SER A 20 2.372 -15.987 -6.796 1.00 1.63 O ATOM 0 H SER A 20 2.180 -13.667 -5.349 1.00 0.75 H new ATOM 0 HA SER A 20 4.489 -15.345 -5.362 1.00 0.82 H new ATOM 0 HB2 SER A 20 2.800 -14.135 -7.589 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.036 -15.354 -7.831 1.00 0.91 H new ATOM 0 HG SER A 20 1.541 -15.576 -6.477 1.00 1.63 H new ATOM 284 N ALA A 21 4.781 -12.233 -6.371 1.00 0.78 N ATOM 285 CA ALA A 21 5.727 -11.200 -6.778 1.00 0.85 C ATOM 286 C ALA A 21 6.506 -10.659 -5.580 1.00 0.82 C ATOM 287 O ALA A 21 7.684 -10.312 -5.697 1.00 0.89 O ATOM 288 CB ALA A 21 5.001 -10.071 -7.495 1.00 0.93 C ATOM 0 H ALA A 21 3.832 -11.894 -6.211 1.00 0.78 H new ATOM 0 HA ALA A 21 6.443 -11.651 -7.466 1.00 0.85 H new ATOM 0 HB1 ALA A 21 5.720 -9.308 -7.793 1.00 0.93 H new ATOM 0 HB2 ALA A 21 4.501 -10.464 -8.380 1.00 0.93 H new ATOM 0 HB3 ALA A 21 4.261 -9.632 -6.826 1.00 0.93 H new ATOM 294 N THR A 22 5.852 -10.597 -4.429 1.00 0.78 N ATOM 295 CA THR A 22 6.490 -10.103 -3.217 1.00 0.83 C ATOM 296 C THR A 22 7.506 -11.108 -2.684 1.00 0.87 C ATOM 297 O THR A 22 8.546 -10.728 -2.155 1.00 0.94 O ATOM 298 CB THR A 22 5.451 -9.787 -2.130 1.00 0.89 C ATOM 299 OG1 THR A 22 4.570 -10.903 -1.969 1.00 1.42 O ATOM 300 CG2 THR A 22 4.656 -8.542 -2.492 1.00 1.93 C ATOM 0 H THR A 22 4.880 -10.882 -4.309 1.00 0.78 H new ATOM 0 HA THR A 22 7.011 -9.182 -3.478 1.00 0.83 H new ATOM 0 HB THR A 22 5.972 -9.599 -1.191 1.00 0.89 H new ATOM 0 HG1 THR A 22 3.800 -10.636 -1.425 1.00 1.42 H new ATOM 0 HG21 THR A 22 3.926 -8.336 -1.709 1.00 1.93 H new ATOM 0 HG22 THR A 22 5.333 -7.693 -2.589 1.00 1.93 H new ATOM 0 HG23 THR A 22 4.138 -8.703 -3.438 1.00 1.93 H new ATOM 308 N SER A 23 7.211 -12.392 -2.836 1.00 0.89 N ATOM 309 CA SER A 23 8.145 -13.430 -2.430 1.00 0.99 C ATOM 310 C SER A 23 9.332 -13.474 -3.395 1.00 1.01 C ATOM 311 O SER A 23 10.449 -13.818 -3.010 1.00 1.11 O ATOM 312 CB SER A 23 7.441 -14.789 -2.369 1.00 1.07 C ATOM 313 OG SER A 23 8.279 -15.789 -1.812 1.00 1.55 O ATOM 0 H SER A 23 6.338 -12.737 -3.235 1.00 0.89 H new ATOM 0 HA SER A 23 8.519 -13.198 -1.433 1.00 0.99 H new ATOM 0 HB2 SER A 23 6.533 -14.702 -1.773 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.137 -15.087 -3.372 1.00 1.07 H new ATOM 0 HG SER A 23 7.798 -16.642 -1.787 1.00 1.55 H new ATOM 319 N ALA A 24 9.084 -13.088 -4.644 1.00 0.96 N ATOM 320 CA ALA A 24 10.125 -13.078 -5.663 1.00 1.03 C ATOM 321 C ALA A 24 11.172 -12.014 -5.363 1.00 1.01 C ATOM 322 O ALA A 24 12.373 -12.275 -5.440 1.00 1.10 O ATOM 323 CB ALA A 24 9.516 -12.842 -7.036 1.00 1.05 C ATOM 0 H ALA A 24 8.170 -12.778 -4.973 1.00 0.96 H new ATOM 0 HA ALA A 24 10.616 -14.051 -5.656 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.305 -12.837 -7.788 1.00 1.05 H new ATOM 0 HB2 ALA A 24 8.806 -13.638 -7.261 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.000 -11.882 -7.045 1.00 1.05 H new ATOM 329 N ILE A 25 10.710 -10.821 -4.995 1.00 0.93 N ATOM 330 CA ILE A 25 11.609 -9.712 -4.714 1.00 0.93 C ATOM 331 C ILE A 25 12.460 -10.007 -3.476 1.00 0.97 C ATOM 332 O ILE A 25 13.558 -9.473 -3.325 1.00 1.02 O ATOM 333 CB ILE A 25 10.838 -8.380 -4.526 1.00 0.89 C ATOM 334 CG1 ILE A 25 11.793 -7.188 -4.605 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.084 -8.361 -3.207 1.00 1.11 C ATOM 336 CD1 ILE A 25 12.466 -7.046 -5.953 1.00 1.56 C ATOM 0 H ILE A 25 9.720 -10.601 -4.886 1.00 0.93 H new ATOM 0 HA ILE A 25 12.265 -9.600 -5.578 1.00 0.93 H new ATOM 0 HB ILE A 25 10.111 -8.302 -5.334 1.00 0.89 H new ATOM 0 HG12 ILE A 25 11.241 -6.274 -4.385 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.557 -7.292 -3.835 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.554 -7.414 -3.105 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.368 -9.182 -3.186 1.00 1.11 H new ATOM 0 HG23 ILE A 25 10.789 -8.473 -2.383 1.00 1.11 H new ATOM 0 HD11 ILE A 25 13.129 -6.181 -5.939 1.00 1.56 H new ATOM 0 HD12 ILE A 25 13.045 -7.944 -6.167 1.00 1.56 H new ATOM 0 HD13 ILE A 25 11.709 -6.910 -6.725 1.00 1.56 H new ATOM 348 N ASN A 26 11.956 -10.881 -2.605 1.00 0.98 N ATOM 349 CA ASN A 26 12.701 -11.290 -1.421 1.00 1.08 C ATOM 350 C ASN A 26 13.963 -12.032 -1.834 1.00 1.12 C ATOM 351 O ASN A 26 15.047 -11.776 -1.309 1.00 1.20 O ATOM 352 CB ASN A 26 11.861 -12.201 -0.516 1.00 1.15 C ATOM 353 CG ASN A 26 10.599 -11.545 0.007 1.00 1.48 C ATOM 354 OD1 ASN A 26 10.524 -10.325 0.155 1.00 1.96 O ATOM 355 ND2 ASN A 26 9.600 -12.359 0.306 1.00 2.02 N ATOM 0 H ASN A 26 11.038 -11.316 -2.699 1.00 0.98 H new ATOM 0 HA ASN A 26 12.959 -10.389 -0.865 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.590 -13.099 -1.071 1.00 1.15 H new ATOM 0 HB3 ASN A 26 12.471 -12.521 0.329 1.00 1.15 H new ATOM 0 HD21 ASN A 26 8.727 -11.981 0.674 1.00 2.02 H new ATOM 0 HD22 ASN A 26 9.703 -13.364 0.168 1.00 2.02 H new ATOM 362 N GLY A 27 13.810 -12.937 -2.796 1.00 1.12 N ATOM 363 CA GLY A 27 14.927 -13.737 -3.258 1.00 1.20 C ATOM 364 C GLY A 27 15.842 -12.975 -4.194 1.00 1.23 C ATOM 365 O GLY A 27 16.938 -13.435 -4.514 1.00 1.36 O ATOM 0 H GLY A 27 12.925 -13.130 -3.266 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.500 -14.084 -2.398 1.00 1.20 H new ATOM 0 HA3 GLY A 27 14.548 -14.623 -3.768 1.00 1.20 H new ATOM 369 N LEU A 28 15.394 -11.808 -4.639 1.00 1.16 N ATOM 370 CA LEU A 28 16.188 -10.972 -5.529 1.00 1.22 C ATOM 371 C LEU A 28 17.153 -10.098 -4.731 1.00 1.28 C ATOM 372 O LEU A 28 18.075 -9.507 -5.289 1.00 1.42 O ATOM 373 CB LEU A 28 15.279 -10.096 -6.400 1.00 1.18 C ATOM 374 CG LEU A 28 14.375 -10.860 -7.373 1.00 1.39 C ATOM 375 CD1 LEU A 28 13.458 -9.903 -8.121 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.209 -11.669 -8.353 1.00 1.81 C ATOM 0 H LEU A 28 14.483 -11.419 -4.397 1.00 1.16 H new ATOM 0 HA LEU A 28 16.769 -11.626 -6.179 1.00 1.22 H new ATOM 0 HB2 LEU A 28 14.652 -9.489 -5.747 1.00 1.18 H new ATOM 0 HB3 LEU A 28 15.903 -9.409 -6.972 1.00 1.18 H new ATOM 0 HG LEU A 28 13.757 -11.547 -6.795 1.00 1.39 H new ATOM 0 HD11 LEU A 28 12.825 -10.467 -8.806 1.00 1.69 H new ATOM 0 HD12 LEU A 28 12.833 -9.366 -7.408 1.00 1.69 H new ATOM 0 HD13 LEU A 28 14.059 -9.190 -8.685 1.00 1.69 H new ATOM 0 HD21 LEU A 28 14.550 -12.205 -9.036 1.00 1.81 H new ATOM 0 HD22 LEU A 28 15.854 -10.999 -8.922 1.00 1.81 H new ATOM 0 HD23 LEU A 28 15.822 -12.384 -7.805 1.00 1.81 H new ATOM 388 N TYR A 29 16.931 -10.022 -3.424 1.00 1.22 N ATOM 389 CA TYR A 29 17.799 -9.242 -2.546 1.00 1.31 C ATOM 390 C TYR A 29 18.591 -10.158 -1.617 1.00 1.58 C ATOM 391 O TYR A 29 19.734 -10.496 -1.911 1.00 2.30 O ATOM 392 CB TYR A 29 16.986 -8.231 -1.729 1.00 1.13 C ATOM 393 CG TYR A 29 16.585 -6.985 -2.495 1.00 0.94 C ATOM 394 CD1 TYR A 29 15.857 -7.066 -3.678 1.00 0.91 C ATOM 395 CD2 TYR A 29 16.936 -5.723 -2.031 1.00 0.90 C ATOM 396 CE1 TYR A 29 15.496 -5.929 -4.374 1.00 0.87 C ATOM 397 CE2 TYR A 29 16.574 -4.580 -2.718 1.00 0.84 C ATOM 398 CZ TYR A 29 15.855 -4.690 -3.891 1.00 0.85 C ATOM 399 OH TYR A 29 15.505 -3.556 -4.588 1.00 0.96 O ATOM 0 H TYR A 29 16.159 -10.490 -2.948 1.00 1.22 H new ATOM 0 HA TYR A 29 18.501 -8.692 -3.172 1.00 1.31 H new ATOM 0 HB2 TYR A 29 16.085 -8.721 -1.359 1.00 1.13 H new ATOM 0 HB3 TYR A 29 17.569 -7.935 -0.857 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.569 -8.035 -4.059 1.00 0.91 H new ATOM 0 HD2 TYR A 29 17.503 -5.634 -1.116 1.00 0.90 H new ATOM 0 HE1 TYR A 29 14.935 -6.011 -5.293 1.00 0.87 H new ATOM 0 HE2 TYR A 29 16.852 -3.607 -2.340 1.00 0.84 H new ATOM 0 HH TYR A 29 14.669 -3.716 -5.074 1.00 0.96 H new ATOM 409 N ILE A 30 17.961 -10.571 -0.513 1.00 1.25 N ATOM 410 CA ILE A 30 18.570 -11.479 0.468 1.00 1.45 C ATOM 411 C ILE A 30 19.871 -10.924 1.066 1.00 1.45 C ATOM 412 O ILE A 30 20.908 -10.879 0.410 1.00 1.99 O ATOM 413 CB ILE A 30 18.850 -12.879 -0.138 1.00 1.67 C ATOM 414 CG1 ILE A 30 17.543 -13.536 -0.591 1.00 1.88 C ATOM 415 CG2 ILE A 30 19.569 -13.768 0.873 1.00 1.89 C ATOM 416 CD1 ILE A 30 17.725 -14.918 -1.181 1.00 2.50 C ATOM 0 H ILE A 30 17.012 -10.285 -0.272 1.00 1.25 H new ATOM 0 HA ILE A 30 17.836 -11.571 1.269 1.00 1.45 H new ATOM 0 HB ILE A 30 19.496 -12.754 -1.007 1.00 1.67 H new ATOM 0 HG12 ILE A 30 16.866 -13.601 0.261 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.063 -12.896 -1.331 1.00 1.88 H new ATOM 0 HG21 ILE A 30 19.757 -14.746 0.429 1.00 1.89 H new ATOM 0 HG22 ILE A 30 20.517 -13.308 1.152 1.00 1.89 H new ATOM 0 HG23 ILE A 30 18.948 -13.886 1.761 1.00 1.89 H new ATOM 0 HD11 ILE A 30 16.755 -15.317 -1.478 1.00 2.50 H new ATOM 0 HD12 ILE A 30 18.376 -14.858 -2.054 1.00 2.50 H new ATOM 0 HD13 ILE A 30 18.175 -15.575 -0.437 1.00 2.50 H new ATOM 428 N GLY A 31 19.812 -10.512 2.322 1.00 1.43 N ATOM 429 CA GLY A 31 21.019 -10.103 3.013 1.00 1.69 C ATOM 430 C GLY A 31 21.012 -8.647 3.423 1.00 1.52 C ATOM 431 O GLY A 31 22.065 -8.071 3.693 1.00 1.93 O ATOM 0 H GLY A 31 18.956 -10.453 2.874 1.00 1.43 H new ATOM 0 HA2 GLY A 31 21.148 -10.722 3.901 1.00 1.69 H new ATOM 0 HA3 GLY A 31 21.878 -10.287 2.368 1.00 1.69 H new ATOM 435 N GLN A 32 19.835 -8.042 3.465 1.00 1.16 N ATOM 436 CA GLN A 32 19.718 -6.652 3.884 1.00 1.10 C ATOM 437 C GLN A 32 18.796 -6.526 5.082 1.00 1.14 C ATOM 438 O GLN A 32 18.505 -5.415 5.532 1.00 1.93 O ATOM 439 CB GLN A 32 19.181 -5.781 2.753 1.00 1.09 C ATOM 440 CG GLN A 32 20.029 -5.807 1.501 1.00 1.38 C ATOM 441 CD GLN A 32 19.655 -4.715 0.521 1.00 2.15 C ATOM 442 OE1 GLN A 32 19.180 -3.651 0.915 1.00 2.74 O ATOM 443 NE2 GLN A 32 19.883 -4.965 -0.755 1.00 2.84 N ATOM 0 H GLN A 32 18.952 -8.487 3.216 1.00 1.16 H new ATOM 0 HA GLN A 32 20.717 -6.311 4.156 1.00 1.10 H new ATOM 0 HB2 GLN A 32 18.172 -6.109 2.503 1.00 1.09 H new ATOM 0 HB3 GLN A 32 19.103 -4.753 3.106 1.00 1.09 H new ATOM 0 HG2 GLN A 32 21.078 -5.700 1.775 1.00 1.38 H new ATOM 0 HG3 GLN A 32 19.924 -6.777 1.016 1.00 1.38 H new ATOM 0 HE21 GLN A 32 20.279 -5.862 -1.036 1.00 2.84 H new ATOM 0 HE22 GLN A 32 19.664 -4.261 -1.460 1.00 2.84 H new ATOM 452 N THR A 33 18.330 -7.668 5.576 1.00 1.15 N ATOM 453 CA THR A 33 17.364 -7.727 6.670 1.00 1.20 C ATOM 454 C THR A 33 15.993 -7.232 6.202 1.00 1.09 C ATOM 455 O THR A 33 15.013 -7.970 6.246 1.00 1.21 O ATOM 456 CB THR A 33 17.831 -6.914 7.898 1.00 1.54 C ATOM 457 OG1 THR A 33 19.172 -7.286 8.251 1.00 1.91 O ATOM 458 CG2 THR A 33 16.911 -7.148 9.089 1.00 1.83 C ATOM 0 H THR A 33 18.613 -8.584 5.228 1.00 1.15 H new ATOM 0 HA THR A 33 17.284 -8.770 6.975 1.00 1.20 H new ATOM 0 HB THR A 33 17.800 -5.857 7.636 1.00 1.54 H new ATOM 0 HG1 THR A 33 19.462 -6.765 9.029 1.00 1.91 H new ATOM 0 HG21 THR A 33 17.262 -6.564 9.940 1.00 1.83 H new ATOM 0 HG22 THR A 33 15.897 -6.841 8.832 1.00 1.83 H new ATOM 0 HG23 THR A 33 16.914 -8.207 9.349 1.00 1.83 H new ATOM 466 N SER A 34 15.936 -5.997 5.732 1.00 1.12 N ATOM 467 CA SER A 34 14.694 -5.426 5.249 1.00 1.35 C ATOM 468 C SER A 34 14.929 -4.548 4.022 1.00 1.13 C ATOM 469 O SER A 34 14.148 -3.635 3.759 1.00 1.18 O ATOM 470 CB SER A 34 14.035 -4.614 6.364 1.00 1.82 C ATOM 471 OG SER A 34 14.933 -3.658 6.900 1.00 2.42 O ATOM 0 H SER A 34 16.739 -5.371 5.675 1.00 1.12 H new ATOM 0 HA SER A 34 14.032 -6.240 4.953 1.00 1.35 H new ATOM 0 HB2 SER A 34 13.151 -4.109 5.976 1.00 1.82 H new ATOM 0 HB3 SER A 34 13.698 -5.284 7.155 1.00 1.82 H new ATOM 0 HG SER A 34 14.486 -2.788 6.961 1.00 2.42 H new ATOM 477 N TYR A 35 16.002 -4.837 3.266 1.00 0.96 N ATOM 478 CA TYR A 35 16.300 -4.123 2.015 1.00 0.78 C ATOM 479 C TYR A 35 16.639 -2.664 2.302 1.00 0.74 C ATOM 480 O TYR A 35 16.373 -1.775 1.491 1.00 0.68 O ATOM 481 CB TYR A 35 15.113 -4.219 1.041 1.00 0.90 C ATOM 482 CG TYR A 35 14.478 -5.591 1.029 1.00 0.97 C ATOM 483 CD1 TYR A 35 15.225 -6.727 0.742 1.00 1.27 C ATOM 484 CD2 TYR A 35 13.122 -5.739 1.259 1.00 0.97 C ATOM 485 CE1 TYR A 35 14.630 -7.971 0.686 1.00 1.37 C ATOM 486 CE2 TYR A 35 12.524 -6.976 1.214 1.00 1.12 C ATOM 487 CZ TYR A 35 13.353 -8.124 1.088 1.00 1.23 C ATOM 488 OH TYR A 35 12.673 -9.318 0.858 1.00 1.41 O ATOM 0 H TYR A 35 16.679 -5.563 3.502 1.00 0.96 H new ATOM 0 HA TYR A 35 17.165 -4.594 1.548 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.362 -3.478 1.315 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.453 -3.971 0.035 1.00 0.90 H new ATOM 0 HD1 TYR A 35 16.286 -6.635 0.560 1.00 1.27 H new ATOM 0 HD2 TYR A 35 12.523 -4.868 1.478 1.00 0.97 H new ATOM 0 HE1 TYR A 35 15.187 -8.821 0.320 1.00 1.37 H new ATOM 0 HE2 TYR A 35 11.450 -7.073 1.273 1.00 1.12 H new ATOM 0 HH TYR A 35 11.711 -9.141 0.800 1.00 1.41 H new ATOM 498 N SER A 36 17.289 -2.447 3.442 1.00 0.89 N ATOM 499 CA SER A 36 17.571 -1.107 3.947 1.00 1.03 C ATOM 500 C SER A 36 18.515 -0.326 3.022 1.00 1.25 C ATOM 501 O SER A 36 18.721 0.872 3.210 1.00 2.03 O ATOM 502 CB SER A 36 18.161 -1.203 5.359 1.00 1.37 C ATOM 503 OG SER A 36 18.235 0.069 5.981 1.00 2.08 O ATOM 0 H SER A 36 17.635 -3.196 4.042 1.00 0.89 H new ATOM 0 HA SER A 36 16.631 -0.557 3.979 1.00 1.03 H new ATOM 0 HB2 SER A 36 17.548 -1.870 5.965 1.00 1.37 H new ATOM 0 HB3 SER A 36 19.157 -1.643 5.309 1.00 1.37 H new ATOM 0 HG SER A 36 18.401 0.756 5.302 1.00 2.08 H new ATOM 509 N GLY A 37 19.071 -0.995 2.016 1.00 1.42 N ATOM 510 CA GLY A 37 19.919 -0.313 1.052 1.00 1.83 C ATOM 511 C GLY A 37 19.151 0.725 0.251 1.00 1.52 C ATOM 512 O GLY A 37 19.739 1.634 -0.341 1.00 1.88 O ATOM 0 H GLY A 37 18.951 -1.994 1.851 1.00 1.42 H new ATOM 0 HA2 GLY A 37 20.745 0.170 1.574 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.356 -1.045 0.372 1.00 1.83 H new ATOM 516 N LEU A 38 17.832 0.591 0.240 1.00 0.95 N ATOM 517 CA LEU A 38 16.970 1.531 -0.464 1.00 0.77 C ATOM 518 C LEU A 38 16.616 2.715 0.433 1.00 0.68 C ATOM 519 O LEU A 38 16.226 3.776 -0.051 1.00 0.66 O ATOM 520 CB LEU A 38 15.689 0.821 -0.918 1.00 0.68 C ATOM 521 CG LEU A 38 15.902 -0.459 -1.732 1.00 0.87 C ATOM 522 CD1 LEU A 38 14.574 -1.161 -1.977 1.00 1.11 C ATOM 523 CD2 LEU A 38 16.590 -0.145 -3.053 1.00 1.19 C ATOM 0 H LEU A 38 17.334 -0.163 0.713 1.00 0.95 H new ATOM 0 HA LEU A 38 17.505 1.906 -1.336 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.097 0.576 -0.036 1.00 0.68 H new ATOM 0 HB3 LEU A 38 15.100 1.517 -1.515 1.00 0.68 H new ATOM 0 HG LEU A 38 16.546 -1.127 -1.160 1.00 0.87 H new ATOM 0 HD11 LEU A 38 14.744 -2.068 -2.557 1.00 1.11 H new ATOM 0 HD12 LEU A 38 14.118 -1.421 -1.022 1.00 1.11 H new ATOM 0 HD13 LEU A 38 13.908 -0.497 -2.528 1.00 1.11 H new ATOM 0 HD21 LEU A 38 16.733 -1.067 -3.617 1.00 1.19 H new ATOM 0 HD22 LEU A 38 15.972 0.542 -3.631 1.00 1.19 H new ATOM 0 HD23 LEU A 38 17.559 0.315 -2.858 1.00 1.19 H new ATOM 535 N ASP A 39 16.771 2.526 1.740 1.00 0.76 N ATOM 536 CA ASP A 39 16.359 3.522 2.731 1.00 0.85 C ATOM 537 C ASP A 39 17.147 4.813 2.589 1.00 0.82 C ATOM 538 O ASP A 39 16.597 5.841 2.198 1.00 0.90 O ATOM 539 CB ASP A 39 16.534 2.966 4.146 1.00 1.08 C ATOM 540 CG ASP A 39 16.261 3.996 5.227 1.00 1.59 C ATOM 541 OD1 ASP A 39 15.087 4.351 5.435 1.00 2.42 O ATOM 542 OD2 ASP A 39 17.230 4.441 5.880 1.00 1.84 O ATOM 0 H ASP A 39 17.183 1.684 2.143 1.00 0.76 H new ATOM 0 HA ASP A 39 15.307 3.745 2.553 1.00 0.85 H new ATOM 0 HB2 ASP A 39 15.863 2.118 4.283 1.00 1.08 H new ATOM 0 HB3 ASP A 39 17.551 2.590 4.259 1.00 1.08 H new ATOM 547 N SER A 40 18.437 4.747 2.891 1.00 0.82 N ATOM 548 CA SER A 40 19.292 5.922 2.869 1.00 0.94 C ATOM 549 C SER A 40 19.259 6.606 1.506 1.00 0.89 C ATOM 550 O SER A 40 19.187 7.830 1.414 1.00 1.00 O ATOM 551 CB SER A 40 20.722 5.518 3.233 1.00 1.13 C ATOM 552 OG SER A 40 21.140 4.384 2.485 1.00 1.71 O ATOM 0 H SER A 40 18.915 3.885 3.155 1.00 0.82 H new ATOM 0 HA SER A 40 18.920 6.637 3.603 1.00 0.94 H new ATOM 0 HB2 SER A 40 21.398 6.352 3.043 1.00 1.13 H new ATOM 0 HB3 SER A 40 20.780 5.296 4.299 1.00 1.13 H new ATOM 0 HG SER A 40 22.058 4.147 2.735 1.00 1.71 H new ATOM 558 N THR A 41 19.271 5.800 0.454 1.00 0.81 N ATOM 559 CA THR A 41 19.335 6.300 -0.907 1.00 0.85 C ATOM 560 C THR A 41 18.103 7.138 -1.268 1.00 0.79 C ATOM 561 O THR A 41 18.224 8.215 -1.851 1.00 0.95 O ATOM 562 CB THR A 41 19.468 5.122 -1.885 1.00 0.92 C ATOM 563 OG1 THR A 41 20.466 4.210 -1.399 1.00 1.25 O ATOM 564 CG2 THR A 41 19.850 5.604 -3.276 1.00 1.38 C ATOM 0 H THR A 41 19.237 4.783 0.522 1.00 0.81 H new ATOM 0 HA THR A 41 20.208 6.948 -0.983 1.00 0.85 H new ATOM 0 HB THR A 41 18.504 4.619 -1.952 1.00 0.92 H new ATOM 0 HG1 THR A 41 20.033 3.391 -1.079 1.00 1.25 H new ATOM 0 HG21 THR A 41 19.937 4.749 -3.946 1.00 1.38 H new ATOM 0 HG22 THR A 41 19.082 6.282 -3.650 1.00 1.38 H new ATOM 0 HG23 THR A 41 20.805 6.128 -3.230 1.00 1.38 H new ATOM 572 N ILE A 42 16.925 6.651 -0.908 1.00 0.67 N ATOM 573 CA ILE A 42 15.683 7.335 -1.252 1.00 0.67 C ATOM 574 C ILE A 42 15.353 8.428 -0.235 1.00 0.64 C ATOM 575 O ILE A 42 14.752 9.449 -0.579 1.00 0.68 O ATOM 576 CB ILE A 42 14.509 6.335 -1.360 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.792 5.307 -2.461 1.00 0.82 C ATOM 578 CG2 ILE A 42 13.193 7.056 -1.632 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.991 5.913 -3.835 1.00 0.87 C ATOM 0 H ILE A 42 16.801 5.788 -0.379 1.00 0.67 H new ATOM 0 HA ILE A 42 15.828 7.804 -2.225 1.00 0.67 H new ATOM 0 HB ILE A 42 14.415 5.817 -0.406 1.00 0.73 H new ATOM 0 HG12 ILE A 42 15.683 4.739 -2.193 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.964 4.599 -2.504 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.386 6.326 -1.703 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.984 7.751 -0.818 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.267 7.607 -2.570 1.00 0.78 H new ATOM 0 HD11 ILE A 42 15.186 5.120 -4.557 1.00 0.87 H new ATOM 0 HD12 ILE A 42 14.092 6.456 -4.127 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.838 6.599 -3.811 1.00 0.87 H new ATOM 591 N LEU A 43 15.769 8.220 1.009 1.00 0.64 N ATOM 592 CA LEU A 43 15.509 9.176 2.078 1.00 0.70 C ATOM 593 C LEU A 43 16.088 10.546 1.738 1.00 0.75 C ATOM 594 O LEU A 43 15.365 11.540 1.676 1.00 0.75 O ATOM 595 CB LEU A 43 16.110 8.673 3.391 1.00 0.85 C ATOM 596 CG LEU A 43 15.777 9.518 4.621 1.00 1.07 C ATOM 597 CD1 LEU A 43 14.294 9.437 4.938 1.00 1.20 C ATOM 598 CD2 LEU A 43 16.608 9.073 5.813 1.00 1.43 C ATOM 0 H LEU A 43 16.290 7.394 1.303 1.00 0.64 H new ATOM 0 HA LEU A 43 14.429 9.275 2.189 1.00 0.70 H new ATOM 0 HB2 LEU A 43 15.764 7.654 3.565 1.00 0.85 H new ATOM 0 HB3 LEU A 43 17.194 8.627 3.283 1.00 0.85 H new ATOM 0 HG LEU A 43 16.022 10.557 4.403 1.00 1.07 H new ATOM 0 HD11 LEU A 43 14.076 10.045 5.816 1.00 1.20 H new ATOM 0 HD12 LEU A 43 13.720 9.807 4.089 1.00 1.20 H new ATOM 0 HD13 LEU A 43 14.020 8.401 5.137 1.00 1.20 H new ATOM 0 HD21 LEU A 43 16.358 9.685 6.680 1.00 1.43 H new ATOM 0 HD22 LEU A 43 16.396 8.027 6.034 1.00 1.43 H new ATOM 0 HD23 LEU A 43 17.667 9.187 5.581 1.00 1.43 H new ATOM 610 N LEU A 44 17.392 10.588 1.491 1.00 0.85 N ATOM 611 CA LEU A 44 18.081 11.846 1.205 1.00 0.98 C ATOM 612 C LEU A 44 17.802 12.328 -0.214 1.00 0.92 C ATOM 613 O LEU A 44 18.139 13.456 -0.572 1.00 1.03 O ATOM 614 CB LEU A 44 19.593 11.703 1.447 1.00 1.19 C ATOM 615 CG LEU A 44 20.281 10.496 0.790 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.461 10.700 -0.706 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.623 10.230 1.454 1.00 1.66 C ATOM 0 H LEU A 44 17.996 9.766 1.482 1.00 0.85 H new ATOM 0 HA LEU A 44 17.692 12.600 1.889 1.00 0.98 H new ATOM 0 HB2 LEU A 44 20.083 12.610 1.092 1.00 1.19 H new ATOM 0 HB3 LEU A 44 19.763 11.649 2.522 1.00 1.19 H new ATOM 0 HG LEU A 44 19.636 9.628 0.930 1.00 1.33 H new ATOM 0 HD11 LEU A 44 20.951 9.826 -1.136 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.486 10.837 -1.174 1.00 1.54 H new ATOM 0 HD13 LEU A 44 21.075 11.583 -0.881 1.00 1.54 H new ATOM 0 HD21 LEU A 44 22.100 9.373 0.979 1.00 1.66 H new ATOM 0 HD22 LEU A 44 22.262 11.106 1.347 1.00 1.66 H new ATOM 0 HD23 LEU A 44 21.470 10.020 2.513 1.00 1.66 H new ATOM 629 N ASN A 45 17.188 11.463 -1.011 1.00 0.84 N ATOM 630 CA ASN A 45 16.906 11.764 -2.410 1.00 0.91 C ATOM 631 C ASN A 45 15.959 12.947 -2.542 1.00 0.88 C ATOM 632 O ASN A 45 16.155 13.819 -3.387 1.00 1.02 O ATOM 633 CB ASN A 45 16.298 10.544 -3.103 1.00 1.01 C ATOM 634 CG ASN A 45 15.965 10.799 -4.563 1.00 1.17 C ATOM 635 OD1 ASN A 45 16.922 10.549 -5.439 1.00 1.88 O flip ATOM 636 ND2 ASN A 45 14.856 11.217 -4.896 1.00 1.32 N flip ATOM 0 H ASN A 45 16.873 10.541 -0.710 1.00 0.84 H new ATOM 0 HA ASN A 45 17.850 12.023 -2.889 1.00 0.91 H new ATOM 0 HB2 ASN A 45 16.995 9.709 -3.035 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.392 10.247 -2.575 1.00 1.01 H new ATOM 0 HD21 ASN A 45 14.145 11.397 -4.187 1.00 1.32 H new ATOM 0 HD22 ASN A 45 14.648 11.383 -5.881 1.00 1.32 H new ATOM 643 N THR A 46 14.924 12.974 -1.715 1.00 0.79 N ATOM 644 CA THR A 46 13.946 14.044 -1.785 1.00 0.85 C ATOM 645 C THR A 46 13.695 14.667 -0.414 1.00 0.79 C ATOM 646 O THR A 46 12.936 14.125 0.387 1.00 0.68 O ATOM 647 CB THR A 46 12.608 13.536 -2.361 1.00 0.93 C ATOM 648 OG1 THR A 46 12.838 12.838 -3.594 1.00 1.15 O ATOM 649 CG2 THR A 46 11.647 14.690 -2.604 1.00 1.12 C ATOM 0 H THR A 46 14.743 12.274 -0.996 1.00 0.79 H new ATOM 0 HA THR A 46 14.359 14.805 -2.447 1.00 0.85 H new ATOM 0 HB THR A 46 12.162 12.858 -1.634 1.00 0.93 H new ATOM 0 HG1 THR A 46 11.984 12.517 -3.952 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.712 14.305 -3.010 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.450 15.204 -1.663 1.00 1.12 H new ATOM 0 HG23 THR A 46 12.090 15.389 -3.313 1.00 1.12 H new ATOM 657 N SER A 47 14.374 15.782 -0.145 1.00 0.97 N ATOM 658 CA SER A 47 14.077 16.638 1.007 1.00 1.13 C ATOM 659 C SER A 47 14.283 15.926 2.352 1.00 1.06 C ATOM 660 O SER A 47 13.863 16.437 3.394 1.00 1.32 O ATOM 661 CB SER A 47 12.634 17.150 0.891 1.00 1.29 C ATOM 662 OG SER A 47 12.319 18.085 1.909 1.00 1.87 O ATOM 0 H SER A 47 15.147 16.119 -0.719 1.00 0.97 H new ATOM 0 HA SER A 47 14.780 17.471 0.990 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.491 17.615 -0.085 1.00 1.29 H new ATOM 0 HB3 SER A 47 11.945 16.307 0.947 1.00 1.29 H new ATOM 0 HG SER A 47 12.776 17.832 2.738 1.00 1.87 H new ATOM 668 N ALA A 48 14.928 14.755 2.325 1.00 0.92 N ATOM 669 CA ALA A 48 15.126 13.924 3.523 1.00 0.97 C ATOM 670 C ALA A 48 13.793 13.364 4.020 1.00 0.88 C ATOM 671 O ALA A 48 13.725 12.673 5.037 1.00 1.00 O ATOM 672 CB ALA A 48 15.836 14.698 4.630 1.00 1.22 C ATOM 0 H ALA A 48 15.327 14.355 1.476 1.00 0.92 H new ATOM 0 HA ALA A 48 15.767 13.088 3.243 1.00 0.97 H new ATOM 0 HB1 ALA A 48 15.965 14.053 5.499 1.00 1.22 H new ATOM 0 HB2 ALA A 48 16.812 15.028 4.275 1.00 1.22 H new ATOM 0 HB3 ALA A 48 15.238 15.566 4.908 1.00 1.22 H new ATOM 678 N ILE A 49 12.738 13.675 3.281 1.00 0.78 N ATOM 679 CA ILE A 49 11.401 13.171 3.544 1.00 0.75 C ATOM 680 C ILE A 49 10.756 12.835 2.212 1.00 0.62 C ATOM 681 O ILE A 49 10.305 13.733 1.499 1.00 0.65 O ATOM 682 CB ILE A 49 10.508 14.198 4.280 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.171 14.681 5.570 1.00 1.17 C ATOM 684 CG2 ILE A 49 9.143 13.588 4.585 1.00 0.95 C ATOM 685 CD1 ILE A 49 10.377 15.743 6.303 1.00 1.93 C ATOM 0 H ILE A 49 12.789 14.293 2.471 1.00 0.78 H new ATOM 0 HA ILE A 49 11.492 12.297 4.189 1.00 0.75 H new ATOM 0 HB ILE A 49 10.374 15.059 3.626 1.00 0.86 H new ATOM 0 HG12 ILE A 49 11.319 13.829 6.233 1.00 1.17 H new ATOM 0 HG13 ILE A 49 12.159 15.077 5.334 1.00 1.17 H new ATOM 0 HG21 ILE A 49 8.524 14.321 5.103 1.00 0.95 H new ATOM 0 HG22 ILE A 49 8.658 13.297 3.653 1.00 0.95 H new ATOM 0 HG23 ILE A 49 9.270 12.709 5.217 1.00 0.95 H new ATOM 0 HD11 ILE A 49 10.910 16.036 7.208 1.00 1.93 H new ATOM 0 HD12 ILE A 49 10.251 16.613 5.658 1.00 1.93 H new ATOM 0 HD13 ILE A 49 9.398 15.345 6.571 1.00 1.93 H new ATOM 697 N PRO A 50 10.743 11.549 1.836 1.00 0.57 N ATOM 698 CA PRO A 50 10.243 11.118 0.530 1.00 0.52 C ATOM 699 C PRO A 50 8.793 11.540 0.298 1.00 0.53 C ATOM 700 O PRO A 50 7.858 10.897 0.767 1.00 0.53 O ATOM 701 CB PRO A 50 10.386 9.591 0.564 1.00 0.54 C ATOM 702 CG PRO A 50 11.378 9.318 1.645 1.00 0.66 C ATOM 703 CD PRO A 50 11.210 10.418 2.651 1.00 0.68 C ATOM 0 HA PRO A 50 10.796 11.575 -0.291 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.431 9.110 0.775 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.732 9.206 -0.395 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.201 8.343 2.100 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.393 9.304 1.248 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.487 10.152 3.422 1.00 0.68 H new ATOM 0 HD3 PRO A 50 12.147 10.647 3.158 1.00 0.68 H new ATOM 711 N ASP A 51 8.629 12.639 -0.433 1.00 0.59 N ATOM 712 CA ASP A 51 7.317 13.236 -0.686 1.00 0.63 C ATOM 713 C ASP A 51 6.444 12.315 -1.536 1.00 0.52 C ATOM 714 O ASP A 51 5.233 12.509 -1.647 1.00 0.54 O ATOM 715 CB ASP A 51 7.494 14.589 -1.383 1.00 0.84 C ATOM 716 CG ASP A 51 6.204 15.380 -1.477 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.816 16.016 -0.474 1.00 1.86 O ATOM 718 OD2 ASP A 51 5.585 15.397 -2.561 1.00 2.04 O ATOM 0 H ASP A 51 9.402 13.143 -0.868 1.00 0.59 H new ATOM 0 HA ASP A 51 6.815 13.382 0.270 1.00 0.63 H new ATOM 0 HB2 ASP A 51 8.235 15.176 -0.841 1.00 0.84 H new ATOM 0 HB3 ASP A 51 7.888 14.426 -2.386 1.00 0.84 H new ATOM 723 N ASN A 52 7.065 11.285 -2.098 1.00 0.47 N ATOM 724 CA ASN A 52 6.375 10.337 -2.964 1.00 0.49 C ATOM 725 C ASN A 52 5.331 9.548 -2.185 1.00 0.43 C ATOM 726 O ASN A 52 4.424 8.963 -2.773 1.00 0.56 O ATOM 727 CB ASN A 52 7.371 9.380 -3.629 1.00 0.59 C ATOM 728 CG ASN A 52 8.337 8.742 -2.643 1.00 1.32 C ATOM 729 OD1 ASN A 52 8.006 7.775 -1.961 1.00 2.22 O ATOM 730 ND2 ASN A 52 9.556 9.259 -2.587 1.00 1.84 N ATOM 0 H ASN A 52 8.056 11.084 -1.967 1.00 0.47 H new ATOM 0 HA ASN A 52 5.868 10.907 -3.742 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.820 8.595 -4.148 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.939 9.924 -4.384 1.00 0.59 H new ATOM 0 HD21 ASN A 52 10.254 8.853 -1.963 1.00 1.84 H new ATOM 0 HD22 ASN A 52 9.796 10.062 -3.168 1.00 1.84 H new ATOM 737 N TYR A 53 5.456 9.558 -0.859 1.00 0.39 N ATOM 738 CA TYR A 53 4.509 8.883 0.034 1.00 0.52 C ATOM 739 C TYR A 53 3.085 9.393 -0.152 1.00 0.56 C ATOM 740 O TYR A 53 2.128 8.785 0.330 1.00 0.83 O ATOM 741 CB TYR A 53 4.915 9.094 1.490 1.00 0.66 C ATOM 742 CG TYR A 53 6.229 8.454 1.876 1.00 0.63 C ATOM 743 CD1 TYR A 53 6.708 7.346 1.189 1.00 0.67 C ATOM 744 CD2 TYR A 53 7.002 8.970 2.906 1.00 0.67 C ATOM 745 CE1 TYR A 53 7.920 6.774 1.516 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.211 8.400 3.241 1.00 0.67 C ATOM 747 CZ TYR A 53 8.617 7.254 2.624 1.00 0.70 C ATOM 748 OH TYR A 53 9.880 6.748 2.862 1.00 0.79 O ATOM 0 H TYR A 53 6.215 10.033 -0.371 1.00 0.39 H new ATOM 0 HA TYR A 53 4.535 7.823 -0.219 1.00 0.52 H new ATOM 0 HB2 TYR A 53 4.976 10.165 1.685 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.130 8.697 2.134 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.122 6.925 0.385 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.651 9.832 3.454 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.323 5.967 0.923 1.00 0.73 H new ATOM 0 HE2 TYR A 53 8.836 8.861 3.992 1.00 0.67 H new ATOM 0 HH TYR A 53 10.274 7.202 3.636 1.00 0.79 H new ATOM 758 N LYS A 54 2.925 10.491 -0.863 1.00 0.46 N ATOM 759 CA LYS A 54 1.613 11.063 -1.061 1.00 0.49 C ATOM 760 C LYS A 54 1.550 11.888 -2.345 1.00 0.52 C ATOM 761 O LYS A 54 2.398 12.739 -2.588 1.00 0.72 O ATOM 762 CB LYS A 54 1.260 11.933 0.146 1.00 0.61 C ATOM 763 CG LYS A 54 2.341 12.944 0.498 1.00 0.85 C ATOM 764 CD LYS A 54 1.987 13.750 1.736 1.00 1.15 C ATOM 765 CE LYS A 54 3.106 14.716 2.103 1.00 1.15 C ATOM 766 NZ LYS A 54 3.339 15.733 1.043 1.00 1.75 N ATOM 0 H LYS A 54 3.686 11.002 -1.311 1.00 0.46 H new ATOM 0 HA LYS A 54 0.890 10.253 -1.158 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.329 12.463 -0.057 1.00 0.61 H new ATOM 0 HB3 LYS A 54 1.079 11.290 1.008 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.284 12.423 0.662 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.492 13.620 -0.343 1.00 0.85 H new ATOM 0 HD2 LYS A 54 1.066 14.306 1.560 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.797 13.075 2.571 1.00 1.15 H new ATOM 0 HE2 LYS A 54 2.858 15.218 3.038 1.00 1.15 H new ATOM 0 HE3 LYS A 54 4.025 14.156 2.276 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 4.274 15.579 0.614 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 2.604 15.647 0.312 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 3.303 16.685 1.461 1.00 1.75 H new ATOM 780 N ASP A 55 0.540 11.628 -3.162 1.00 0.48 N ATOM 781 CA ASP A 55 0.297 12.434 -4.355 1.00 0.51 C ATOM 782 C ASP A 55 -0.570 13.634 -3.993 1.00 0.60 C ATOM 783 O ASP A 55 -1.266 13.613 -2.977 1.00 0.72 O ATOM 784 CB ASP A 55 -0.375 11.591 -5.440 1.00 0.49 C ATOM 785 CG ASP A 55 -0.738 12.400 -6.665 1.00 0.90 C ATOM 786 OD1 ASP A 55 0.152 13.061 -7.234 1.00 1.35 O ATOM 787 OD2 ASP A 55 -1.916 12.384 -7.055 1.00 1.29 O ATOM 0 H ASP A 55 -0.125 10.867 -3.023 1.00 0.48 H new ATOM 0 HA ASP A 55 1.250 12.791 -4.746 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.293 10.780 -5.730 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.276 11.132 -5.032 1.00 0.49 H new ATOM 792 N THR A 56 -0.517 14.684 -4.794 1.00 0.67 N ATOM 793 CA THR A 56 -1.295 15.880 -4.520 1.00 0.78 C ATOM 794 C THR A 56 -2.445 16.046 -5.512 1.00 0.75 C ATOM 795 O THR A 56 -3.254 16.966 -5.386 1.00 0.78 O ATOM 796 CB THR A 56 -0.403 17.136 -4.555 1.00 0.98 C ATOM 797 OG1 THR A 56 0.421 17.121 -5.728 1.00 1.50 O ATOM 798 CG2 THR A 56 0.472 17.214 -3.312 1.00 1.52 C ATOM 0 H THR A 56 0.055 14.733 -5.637 1.00 0.67 H new ATOM 0 HA THR A 56 -1.715 15.763 -3.521 1.00 0.78 H new ATOM 0 HB THR A 56 -1.050 18.013 -4.579 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.983 17.924 -5.743 1.00 1.50 H new ATOM 0 HG21 THR A 56 1.093 18.109 -3.360 1.00 1.52 H new ATOM 0 HG22 THR A 56 -0.160 17.257 -2.425 1.00 1.52 H new ATOM 0 HG23 THR A 56 1.110 16.332 -3.260 1.00 1.52 H new ATOM 806 N THR A 57 -2.520 15.153 -6.492 1.00 0.76 N ATOM 807 CA THR A 57 -3.539 15.263 -7.519 1.00 0.79 C ATOM 808 C THR A 57 -4.732 14.353 -7.217 1.00 0.74 C ATOM 809 O THR A 57 -5.852 14.843 -7.062 1.00 1.04 O ATOM 810 CB THR A 57 -2.953 14.896 -8.897 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.697 15.564 -9.084 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.909 15.283 -10.016 1.00 1.05 C ATOM 0 H THR A 57 -1.893 14.355 -6.594 1.00 0.76 H new ATOM 0 HA THR A 57 -3.884 16.297 -7.532 1.00 0.79 H new ATOM 0 HB THR A 57 -2.803 13.817 -8.929 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.327 15.327 -9.960 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.472 15.013 -10.977 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.854 14.755 -9.886 1.00 1.05 H new ATOM 0 HG23 THR A 57 -4.087 16.358 -9.987 1.00 1.05 H new ATOM 820 N ASN A 58 -4.461 13.044 -7.070 1.00 0.65 N ATOM 821 CA ASN A 58 -5.505 12.037 -6.805 1.00 0.70 C ATOM 822 C ASN A 58 -5.012 10.612 -7.092 1.00 0.59 C ATOM 823 O ASN A 58 -5.815 9.676 -7.099 1.00 0.66 O ATOM 824 CB ASN A 58 -6.769 12.280 -7.660 1.00 0.95 C ATOM 825 CG ASN A 58 -6.550 12.060 -9.151 1.00 1.91 C ATOM 826 OD1 ASN A 58 -6.178 12.975 -9.884 1.00 2.73 O ATOM 827 ND2 ASN A 58 -6.793 10.843 -9.615 1.00 2.46 N ATOM 0 H ASN A 58 -3.520 12.656 -7.131 1.00 0.65 H new ATOM 0 HA ASN A 58 -5.748 12.138 -5.747 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -7.563 11.617 -7.316 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.115 13.301 -7.499 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -6.673 10.642 -10.608 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -7.100 10.107 -8.979 1.00 2.46 H new ATOM 834 N LYS A 59 -3.712 10.429 -7.329 1.00 0.52 N ATOM 835 CA LYS A 59 -3.231 9.135 -7.810 1.00 0.51 C ATOM 836 C LYS A 59 -1.812 8.785 -7.351 1.00 0.45 C ATOM 837 O LYS A 59 -0.830 9.096 -8.026 1.00 0.48 O ATOM 838 CB LYS A 59 -3.331 9.056 -9.346 1.00 0.58 C ATOM 839 CG LYS A 59 -3.370 10.409 -10.060 1.00 0.83 C ATOM 840 CD LYS A 59 -2.010 11.096 -10.114 1.00 0.64 C ATOM 841 CE LYS A 59 -1.046 10.369 -11.039 1.00 1.53 C ATOM 842 NZ LYS A 59 0.182 11.170 -11.302 1.00 2.11 N ATOM 0 H LYS A 59 -2.991 11.139 -7.200 1.00 0.52 H new ATOM 0 HA LYS A 59 -3.886 8.390 -7.357 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -2.480 8.488 -9.722 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.229 8.497 -9.609 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -3.739 10.267 -11.076 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -4.080 11.061 -9.551 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.135 12.124 -10.455 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.586 11.142 -9.111 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -0.768 9.413 -10.595 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -1.545 10.149 -11.983 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 0.813 10.640 -11.936 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -0.081 12.071 -11.749 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 0.672 11.359 -10.404 1.00 2.11 H new ATOM 856 N LYS A 60 -1.714 8.137 -6.192 1.00 0.41 N ATOM 857 CA LYS A 60 -0.471 7.483 -5.769 1.00 0.38 C ATOM 858 C LYS A 60 -0.774 6.316 -4.822 1.00 0.38 C ATOM 859 O LYS A 60 -1.412 6.496 -3.781 1.00 0.41 O ATOM 860 CB LYS A 60 0.490 8.486 -5.106 1.00 0.41 C ATOM 861 CG LYS A 60 1.929 7.984 -4.913 1.00 0.45 C ATOM 862 CD LYS A 60 2.043 6.982 -3.786 1.00 1.22 C ATOM 863 CE LYS A 60 1.617 7.597 -2.475 1.00 2.18 C ATOM 864 NZ LYS A 60 1.898 6.704 -1.333 1.00 3.14 N ATOM 0 H LYS A 60 -2.481 8.049 -5.525 1.00 0.41 H new ATOM 0 HA LYS A 60 0.021 7.089 -6.658 1.00 0.38 H new ATOM 0 HB2 LYS A 60 0.517 9.393 -5.710 1.00 0.41 H new ATOM 0 HB3 LYS A 60 0.085 8.763 -4.133 1.00 0.41 H new ATOM 0 HG2 LYS A 60 2.279 7.527 -5.839 1.00 0.45 H new ATOM 0 HG3 LYS A 60 2.583 8.832 -4.709 1.00 0.45 H new ATOM 0 HD2 LYS A 60 1.423 6.112 -4.003 1.00 1.22 H new ATOM 0 HD3 LYS A 60 3.072 6.629 -3.710 1.00 1.22 H new ATOM 0 HE2 LYS A 60 2.137 8.544 -2.332 1.00 2.18 H new ATOM 0 HE3 LYS A 60 0.551 7.820 -2.508 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 2.249 7.266 -0.531 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 1.025 6.211 -1.055 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 2.618 6.005 -1.608 1.00 3.14 H new ATOM 878 N ILE A 61 -0.295 5.128 -5.184 1.00 0.37 N ATOM 879 CA ILE A 61 -0.435 3.937 -4.353 1.00 0.38 C ATOM 880 C ILE A 61 0.922 3.321 -4.044 1.00 0.38 C ATOM 881 O ILE A 61 1.716 3.066 -4.944 1.00 0.45 O ATOM 882 CB ILE A 61 -1.346 2.866 -5.003 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.020 2.619 -6.495 1.00 0.49 C ATOM 884 CG2 ILE A 61 -2.800 3.262 -4.840 1.00 0.47 C ATOM 885 CD1 ILE A 61 -2.021 1.703 -7.166 1.00 0.55 C ATOM 0 H ILE A 61 0.200 4.965 -6.061 1.00 0.37 H new ATOM 0 HA ILE A 61 -0.906 4.267 -3.427 1.00 0.38 H new ATOM 0 HB ILE A 61 -1.156 1.926 -4.485 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -0.997 3.573 -7.021 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.023 2.185 -6.578 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -3.437 2.506 -5.299 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.039 3.342 -3.779 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -2.972 4.223 -5.324 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -1.744 1.564 -8.211 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -2.026 0.737 -6.661 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.015 2.147 -7.110 1.00 0.55 H new ATOM 897 N THR A 62 1.198 3.104 -2.766 1.00 0.39 N ATOM 898 CA THR A 62 2.424 2.437 -2.371 1.00 0.45 C ATOM 899 C THR A 62 2.177 0.944 -2.270 1.00 0.50 C ATOM 900 O THR A 62 1.463 0.511 -1.374 1.00 0.62 O ATOM 901 CB THR A 62 2.936 2.939 -1.010 1.00 0.56 C ATOM 902 OG1 THR A 62 2.932 4.365 -0.977 1.00 0.84 O ATOM 903 CG2 THR A 62 4.340 2.434 -0.744 1.00 0.84 C ATOM 0 H THR A 62 0.593 3.379 -1.992 1.00 0.39 H new ATOM 0 HA THR A 62 3.177 2.658 -3.128 1.00 0.45 H new ATOM 0 HB THR A 62 2.270 2.556 -0.237 1.00 0.56 H new ATOM 0 HG1 THR A 62 3.377 4.675 -0.160 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.682 2.801 0.224 1.00 0.84 H new ATOM 0 HG22 THR A 62 4.340 1.344 -0.739 1.00 0.84 H new ATOM 0 HG23 THR A 62 5.010 2.793 -1.525 1.00 0.84 H new ATOM 911 N ASN A 63 2.756 0.188 -3.203 1.00 0.52 N ATOM 912 CA ASN A 63 2.597 -1.272 -3.278 1.00 0.61 C ATOM 913 C ASN A 63 3.033 -1.799 -4.653 1.00 0.76 C ATOM 914 O ASN A 63 3.893 -2.672 -4.739 1.00 1.31 O ATOM 915 CB ASN A 63 1.146 -1.713 -3.023 1.00 1.03 C ATOM 916 CG ASN A 63 0.978 -3.222 -3.058 1.00 1.80 C ATOM 917 OD1 ASN A 63 1.876 -3.970 -2.684 1.00 2.50 O ATOM 918 ND2 ASN A 63 -0.183 -3.681 -3.504 1.00 2.26 N ATOM 0 H ASN A 63 3.354 0.571 -3.935 1.00 0.52 H new ATOM 0 HA ASN A 63 3.232 -1.690 -2.497 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.822 -1.338 -2.052 1.00 1.03 H new ATOM 0 HB3 ASN A 63 0.496 -1.262 -3.773 1.00 1.03 H new ATOM 0 HD21 ASN A 63 -0.352 -4.686 -3.544 1.00 2.26 H new ATOM 0 HD22 ASN A 63 -0.907 -3.029 -3.807 1.00 2.26 H new ATOM 925 N PRO A 64 2.456 -1.262 -5.755 1.00 0.64 N ATOM 926 CA PRO A 64 2.639 -1.813 -7.089 1.00 0.97 C ATOM 927 C PRO A 64 3.827 -1.212 -7.838 1.00 1.15 C ATOM 928 O PRO A 64 4.487 -0.296 -7.350 1.00 1.75 O ATOM 929 CB PRO A 64 1.322 -1.446 -7.783 1.00 0.91 C ATOM 930 CG PRO A 64 0.768 -0.269 -7.038 1.00 0.85 C ATOM 931 CD PRO A 64 1.609 -0.064 -5.804 1.00 0.60 C ATOM 0 HA PRO A 64 2.858 -2.881 -7.062 1.00 0.97 H new ATOM 0 HB2 PRO A 64 1.491 -1.199 -8.831 1.00 0.91 H new ATOM 0 HB3 PRO A 64 0.625 -2.283 -7.761 1.00 0.91 H new ATOM 0 HG2 PRO A 64 0.787 0.623 -7.665 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -0.273 -0.445 -6.766 1.00 0.85 H new ATOM 0 HD2 PRO A 64 2.206 0.845 -5.873 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.992 0.027 -4.910 1.00 0.60 H new ATOM 939 N PHE A 65 4.072 -1.726 -9.039 1.00 1.16 N ATOM 940 CA PHE A 65 5.196 -1.287 -9.858 1.00 1.47 C ATOM 941 C PHE A 65 4.753 -1.030 -11.298 1.00 1.30 C ATOM 942 O PHE A 65 5.575 -0.945 -12.208 1.00 1.80 O ATOM 943 CB PHE A 65 6.316 -2.337 -9.823 1.00 2.09 C ATOM 944 CG PHE A 65 5.832 -3.751 -10.019 1.00 2.12 C ATOM 945 CD1 PHE A 65 5.558 -4.242 -11.288 1.00 2.65 C ATOM 946 CD2 PHE A 65 5.651 -4.589 -8.931 1.00 2.10 C ATOM 947 CE1 PHE A 65 5.113 -5.537 -11.463 1.00 3.23 C ATOM 948 CE2 PHE A 65 5.206 -5.885 -9.099 1.00 2.47 C ATOM 949 CZ PHE A 65 4.937 -6.361 -10.368 1.00 3.09 C ATOM 0 H PHE A 65 3.501 -2.454 -9.470 1.00 1.16 H new ATOM 0 HA PHE A 65 5.576 -0.351 -9.448 1.00 1.47 H new ATOM 0 HB2 PHE A 65 7.046 -2.102 -10.598 1.00 2.09 H new ATOM 0 HB3 PHE A 65 6.834 -2.270 -8.866 1.00 2.09 H new ATOM 0 HD1 PHE A 65 5.695 -3.604 -12.148 1.00 2.65 H new ATOM 0 HD2 PHE A 65 5.861 -4.223 -7.937 1.00 2.10 H new ATOM 0 HE1 PHE A 65 4.902 -5.906 -12.456 1.00 3.23 H new ATOM 0 HE2 PHE A 65 5.068 -6.525 -8.240 1.00 2.47 H new ATOM 0 HZ PHE A 65 4.590 -7.375 -10.504 1.00 3.09 H new ATOM 959 N GLY A 66 3.447 -0.882 -11.490 1.00 0.85 N ATOM 960 CA GLY A 66 2.903 -0.705 -12.822 1.00 0.86 C ATOM 961 C GLY A 66 3.221 0.653 -13.421 1.00 0.86 C ATOM 962 O GLY A 66 3.510 0.763 -14.612 1.00 1.21 O ATOM 0 H GLY A 66 2.753 -0.882 -10.743 1.00 0.85 H new ATOM 0 HA2 GLY A 66 3.296 -1.484 -13.475 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.821 -0.835 -12.786 1.00 0.86 H new ATOM 966 N GLY A 67 3.163 1.691 -12.601 1.00 0.70 N ATOM 967 CA GLY A 67 3.431 3.030 -13.087 1.00 0.70 C ATOM 968 C GLY A 67 4.814 3.507 -12.711 1.00 0.65 C ATOM 969 O GLY A 67 5.809 2.839 -13.002 1.00 0.67 O ATOM 0 H GLY A 67 2.935 1.631 -11.608 1.00 0.70 H new ATOM 0 HA2 GLY A 67 3.324 3.049 -14.172 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.689 3.717 -12.681 1.00 0.70 H new ATOM 973 N GLU A 68 4.880 4.656 -12.057 1.00 0.63 N ATOM 974 CA GLU A 68 6.145 5.172 -11.577 1.00 0.64 C ATOM 975 C GLU A 68 6.430 4.607 -10.200 1.00 0.58 C ATOM 976 O GLU A 68 5.863 5.059 -9.209 1.00 0.59 O ATOM 977 CB GLU A 68 6.108 6.692 -11.496 1.00 0.73 C ATOM 978 CG GLU A 68 7.455 7.307 -11.150 1.00 1.36 C ATOM 979 CD GLU A 68 7.428 8.817 -11.159 1.00 1.84 C ATOM 980 OE1 GLU A 68 7.348 9.404 -12.257 1.00 1.99 O ATOM 981 OE2 GLU A 68 7.491 9.424 -10.069 1.00 2.78 O ATOM 0 H GLU A 68 4.074 5.245 -11.849 1.00 0.63 H new ATOM 0 HA GLU A 68 6.929 4.875 -12.273 1.00 0.64 H new ATOM 0 HB2 GLU A 68 5.768 7.092 -12.451 1.00 0.73 H new ATOM 0 HB3 GLU A 68 5.376 6.992 -10.746 1.00 0.73 H new ATOM 0 HG2 GLU A 68 7.766 6.959 -10.165 1.00 1.36 H new ATOM 0 HG3 GLU A 68 8.203 6.957 -11.862 1.00 1.36 H new ATOM 988 N LEU A 69 7.286 3.609 -10.151 1.00 0.57 N ATOM 989 CA LEU A 69 7.626 2.965 -8.890 1.00 0.57 C ATOM 990 C LEU A 69 8.838 3.620 -8.238 1.00 0.55 C ATOM 991 O LEU A 69 9.885 3.810 -8.864 1.00 0.60 O ATOM 992 CB LEU A 69 7.866 1.451 -9.065 1.00 0.69 C ATOM 993 CG LEU A 69 9.185 1.025 -9.728 1.00 0.83 C ATOM 994 CD1 LEU A 69 9.472 -0.436 -9.425 1.00 1.15 C ATOM 995 CD2 LEU A 69 9.149 1.238 -11.235 1.00 1.17 C ATOM 0 H LEU A 69 7.762 3.223 -10.966 1.00 0.57 H new ATOM 0 HA LEU A 69 6.768 3.096 -8.230 1.00 0.57 H new ATOM 0 HB2 LEU A 69 7.815 0.984 -8.081 1.00 0.69 H new ATOM 0 HB3 LEU A 69 7.044 1.044 -9.654 1.00 0.69 H new ATOM 0 HG LEU A 69 9.979 1.648 -9.317 1.00 0.83 H new ATOM 0 HD11 LEU A 69 10.409 -0.729 -9.899 1.00 1.15 H new ATOM 0 HD12 LEU A 69 9.552 -0.575 -8.347 1.00 1.15 H new ATOM 0 HD13 LEU A 69 8.661 -1.054 -9.811 1.00 1.15 H new ATOM 0 HD21 LEU A 69 10.099 0.926 -11.669 1.00 1.17 H new ATOM 0 HD22 LEU A 69 8.341 0.648 -11.667 1.00 1.17 H new ATOM 0 HD23 LEU A 69 8.982 2.294 -11.449 1.00 1.17 H new ATOM 1007 N ASN A 70 8.664 4.004 -6.985 1.00 0.52 N ATOM 1008 CA ASN A 70 9.767 4.461 -6.159 1.00 0.53 C ATOM 1009 C ASN A 70 10.111 3.377 -5.150 1.00 0.49 C ATOM 1010 O ASN A 70 9.246 2.932 -4.394 1.00 0.51 O ATOM 1011 CB ASN A 70 9.408 5.772 -5.447 1.00 0.59 C ATOM 1012 CG ASN A 70 10.421 6.152 -4.383 1.00 0.65 C ATOM 1013 OD1 ASN A 70 11.464 6.736 -4.680 1.00 0.92 O ATOM 1014 ND2 ASN A 70 10.099 5.867 -3.132 1.00 0.73 N ATOM 0 H ASN A 70 7.759 4.008 -6.514 1.00 0.52 H new ATOM 0 HA ASN A 70 10.634 4.657 -6.790 1.00 0.53 H new ATOM 0 HB2 ASN A 70 9.340 6.574 -6.182 1.00 0.59 H new ATOM 0 HB3 ASN A 70 8.424 5.675 -4.989 1.00 0.59 H new ATOM 0 HD21 ASN A 70 10.724 6.132 -2.371 1.00 0.73 H new ATOM 0 HD22 ASN A 70 9.225 5.382 -2.928 1.00 0.73 H new ATOM 1021 N VAL A 71 11.362 2.942 -5.149 1.00 0.51 N ATOM 1022 CA VAL A 71 11.778 1.831 -4.302 1.00 0.52 C ATOM 1023 C VAL A 71 11.978 2.273 -2.858 1.00 0.49 C ATOM 1024 O VAL A 71 12.345 3.417 -2.591 1.00 0.58 O ATOM 1025 CB VAL A 71 13.075 1.168 -4.820 1.00 0.68 C ATOM 1026 CG1 VAL A 71 12.837 0.500 -6.165 1.00 0.97 C ATOM 1027 CG2 VAL A 71 14.203 2.187 -4.923 1.00 1.02 C ATOM 0 H VAL A 71 12.106 3.339 -5.723 1.00 0.51 H new ATOM 0 HA VAL A 71 10.972 1.098 -4.339 1.00 0.52 H new ATOM 0 HB VAL A 71 13.372 0.403 -4.103 1.00 0.68 H new ATOM 0 HG11 VAL A 71 13.762 0.040 -6.511 1.00 0.97 H new ATOM 0 HG12 VAL A 71 12.068 -0.265 -6.060 1.00 0.97 H new ATOM 0 HG13 VAL A 71 12.510 1.246 -6.889 1.00 0.97 H new ATOM 0 HG21 VAL A 71 15.104 1.696 -5.290 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.915 2.980 -5.613 1.00 1.02 H new ATOM 0 HG23 VAL A 71 14.397 2.615 -3.940 1.00 1.02 H new ATOM 1037 N GLY A 72 11.711 1.369 -1.931 1.00 0.44 N ATOM 1038 CA GLY A 72 11.907 1.666 -0.533 1.00 0.46 C ATOM 1039 C GLY A 72 11.780 0.433 0.338 1.00 0.44 C ATOM 1040 O GLY A 72 11.029 -0.487 0.008 1.00 0.48 O ATOM 0 H GLY A 72 11.360 0.431 -2.125 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.893 2.108 -0.392 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.176 2.410 -0.216 1.00 0.46 H new ATOM 1044 N PRO A 73 12.512 0.383 1.456 1.00 0.53 N ATOM 1045 CA PRO A 73 12.493 -0.745 2.377 1.00 0.54 C ATOM 1046 C PRO A 73 11.557 -0.546 3.564 1.00 0.49 C ATOM 1047 O PRO A 73 10.980 0.527 3.749 1.00 0.59 O ATOM 1048 CB PRO A 73 13.931 -0.749 2.863 1.00 0.72 C ATOM 1049 CG PRO A 73 14.297 0.695 2.938 1.00 1.00 C ATOM 1050 CD PRO A 73 13.454 1.415 1.911 1.00 0.76 C ATOM 0 HA PRO A 73 12.141 -1.662 1.903 1.00 0.54 H new ATOM 0 HB2 PRO A 73 14.021 -1.234 3.835 1.00 0.72 H new ATOM 0 HB3 PRO A 73 14.582 -1.289 2.176 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.110 1.090 3.937 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.358 0.836 2.734 1.00 1.00 H new ATOM 0 HD2 PRO A 73 12.935 2.269 2.346 1.00 0.76 H new ATOM 0 HD3 PRO A 73 14.061 1.795 1.089 1.00 0.76 H new ATOM 1058 N ALA A 74 11.428 -1.581 4.372 1.00 0.51 N ATOM 1059 CA ALA A 74 10.661 -1.499 5.602 1.00 0.61 C ATOM 1060 C ALA A 74 11.591 -1.474 6.808 1.00 0.84 C ATOM 1061 O ALA A 74 12.800 -1.669 6.670 1.00 1.58 O ATOM 1062 CB ALA A 74 9.697 -2.665 5.703 1.00 0.86 C ATOM 0 H ALA A 74 11.847 -2.494 4.198 1.00 0.51 H new ATOM 0 HA ALA A 74 10.085 -0.573 5.589 1.00 0.61 H new ATOM 0 HB1 ALA A 74 9.130 -2.589 6.631 1.00 0.86 H new ATOM 0 HB2 ALA A 74 9.012 -2.645 4.856 1.00 0.86 H new ATOM 0 HB3 ALA A 74 10.256 -3.601 5.695 1.00 0.86 H new ATOM 1068 N ASN A 75 11.026 -1.235 7.986 1.00 0.62 N ATOM 1069 CA ASN A 75 11.812 -1.185 9.216 1.00 0.74 C ATOM 1070 C ASN A 75 12.443 -2.543 9.523 1.00 0.76 C ATOM 1071 O ASN A 75 13.615 -2.621 9.885 1.00 0.85 O ATOM 1072 CB ASN A 75 10.940 -0.732 10.390 1.00 0.99 C ATOM 1073 CG ASN A 75 11.732 -0.564 11.674 1.00 1.38 C ATOM 1074 OD1 ASN A 75 12.318 0.488 11.920 1.00 2.09 O ATOM 1075 ND2 ASN A 75 11.731 -1.586 12.516 1.00 1.58 N ATOM 0 H ASN A 75 10.027 -1.073 8.117 1.00 0.62 H new ATOM 0 HA ASN A 75 12.614 -0.461 9.071 1.00 0.74 H new ATOM 0 HB2 ASN A 75 10.459 0.213 10.137 1.00 0.99 H new ATOM 0 HB3 ASN A 75 10.145 -1.461 10.550 1.00 0.99 H new ATOM 0 HD21 ASN A 75 12.228 -1.516 13.404 1.00 1.58 H new ATOM 0 HD22 ASN A 75 11.233 -2.443 12.277 1.00 1.58 H new ATOM 1082 N ASN A 76 11.666 -3.610 9.369 1.00 0.75 N ATOM 1083 CA ASN A 76 12.158 -4.956 9.652 1.00 0.82 C ATOM 1084 C ASN A 76 11.350 -6.005 8.888 1.00 0.77 C ATOM 1085 O ASN A 76 10.169 -5.794 8.601 1.00 0.81 O ATOM 1086 CB ASN A 76 12.098 -5.232 11.158 1.00 1.02 C ATOM 1087 CG ASN A 76 12.694 -6.576 11.529 1.00 1.32 C ATOM 1088 OD1 ASN A 76 12.001 -7.591 11.542 1.00 2.08 O ATOM 1089 ND2 ASN A 76 13.981 -6.593 11.834 1.00 1.38 N ATOM 0 H ASN A 76 10.697 -3.571 9.051 1.00 0.75 H new ATOM 0 HA ASN A 76 13.194 -5.019 9.320 1.00 0.82 H new ATOM 0 HB2 ASN A 76 12.631 -4.443 11.690 1.00 1.02 H new ATOM 0 HB3 ASN A 76 11.060 -5.195 11.489 1.00 1.02 H new ATOM 0 HD21 ASN A 76 14.432 -7.471 12.092 1.00 1.38 H new ATOM 0 HD22 ASN A 76 14.522 -5.729 11.811 1.00 1.38 H new ATOM 1096 N ASN A 77 11.994 -7.129 8.575 1.00 0.80 N ATOM 1097 CA ASN A 77 11.388 -8.196 7.770 1.00 0.86 C ATOM 1098 C ASN A 77 10.251 -8.902 8.510 1.00 0.95 C ATOM 1099 O ASN A 77 9.261 -9.305 7.902 1.00 1.05 O ATOM 1100 CB ASN A 77 12.458 -9.222 7.383 1.00 0.95 C ATOM 1101 CG ASN A 77 11.914 -10.376 6.557 1.00 1.40 C ATOM 1102 OD1 ASN A 77 11.438 -11.373 7.099 1.00 2.28 O ATOM 1103 ND2 ASN A 77 11.999 -10.259 5.241 1.00 1.72 N ATOM 0 H ASN A 77 12.950 -7.328 8.871 1.00 0.80 H new ATOM 0 HA ASN A 77 10.967 -7.733 6.877 1.00 0.86 H new ATOM 0 HB2 ASN A 77 13.245 -8.721 6.820 1.00 0.95 H new ATOM 0 HB3 ASN A 77 12.917 -9.618 8.289 1.00 0.95 H new ATOM 0 HD21 ASN A 77 11.663 -11.011 4.639 1.00 1.72 H new ATOM 0 HD22 ASN A 77 12.400 -9.417 4.829 1.00 1.72 H new ATOM 1110 N THR A 78 10.391 -9.039 9.825 1.00 1.02 N ATOM 1111 CA THR A 78 9.422 -9.760 10.636 1.00 1.22 C ATOM 1112 C THR A 78 8.139 -8.939 10.825 1.00 1.16 C ATOM 1113 O THR A 78 7.193 -9.372 11.486 1.00 1.41 O ATOM 1114 CB THR A 78 10.050 -10.106 12.002 1.00 1.44 C ATOM 1115 OG1 THR A 78 11.370 -10.628 11.793 1.00 1.95 O ATOM 1116 CG2 THR A 78 9.224 -11.139 12.751 1.00 1.88 C ATOM 0 H THR A 78 11.175 -8.655 10.353 1.00 1.02 H new ATOM 0 HA THR A 78 9.151 -10.681 10.120 1.00 1.22 H new ATOM 0 HB THR A 78 10.084 -9.196 12.600 1.00 1.44 H new ATOM 0 HG1 THR A 78 12.003 -9.887 11.695 1.00 1.95 H new ATOM 0 HG21 THR A 78 9.697 -11.358 13.708 1.00 1.88 H new ATOM 0 HG22 THR A 78 8.221 -10.748 12.922 1.00 1.88 H new ATOM 0 HG23 THR A 78 9.161 -12.053 12.160 1.00 1.88 H new ATOM 1124 N ALA A 79 8.113 -7.760 10.226 1.00 0.91 N ATOM 1125 CA ALA A 79 6.941 -6.905 10.270 1.00 0.86 C ATOM 1126 C ALA A 79 6.450 -6.601 8.864 1.00 0.73 C ATOM 1127 O ALA A 79 5.313 -6.907 8.510 1.00 0.77 O ATOM 1128 CB ALA A 79 7.252 -5.617 11.017 1.00 0.88 C ATOM 0 H ALA A 79 8.896 -7.372 9.700 1.00 0.91 H new ATOM 0 HA ALA A 79 6.149 -7.431 10.803 1.00 0.86 H new ATOM 0 HB1 ALA A 79 6.363 -4.987 11.041 1.00 0.88 H new ATOM 0 HB2 ALA A 79 7.558 -5.852 12.036 1.00 0.88 H new ATOM 0 HB3 ALA A 79 8.058 -5.088 10.509 1.00 0.88 H new ATOM 1134 N PHE A 80 7.321 -6.013 8.057 1.00 0.65 N ATOM 1135 CA PHE A 80 6.971 -5.635 6.697 1.00 0.60 C ATOM 1136 C PHE A 80 8.054 -6.122 5.739 1.00 0.72 C ATOM 1137 O PHE A 80 8.944 -6.870 6.138 1.00 1.37 O ATOM 1138 CB PHE A 80 6.810 -4.114 6.586 1.00 0.58 C ATOM 1139 CG PHE A 80 5.910 -3.519 7.631 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.535 -3.551 7.475 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.440 -2.921 8.759 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.704 -2.998 8.429 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.615 -2.363 9.715 1.00 0.82 C ATOM 1144 CZ PHE A 80 4.249 -2.439 9.575 1.00 0.77 C ATOM 0 H PHE A 80 8.279 -5.787 8.323 1.00 0.65 H new ATOM 0 HA PHE A 80 6.021 -6.099 6.433 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.793 -3.648 6.659 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.415 -3.871 5.600 1.00 0.58 H new ATOM 0 HD1 PHE A 80 4.108 -4.013 6.598 1.00 0.56 H new ATOM 0 HD2 PHE A 80 7.511 -2.890 8.894 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.634 -3.001 8.283 1.00 0.65 H new ATOM 0 HE2 PHE A 80 6.043 -1.866 10.573 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.603 -2.065 10.355 1.00 0.77 H new ATOM 1154 N GLY A 81 7.981 -5.708 4.485 1.00 0.52 N ATOM 1155 CA GLY A 81 8.985 -6.116 3.521 1.00 0.57 C ATOM 1156 C GLY A 81 9.590 -4.936 2.796 1.00 0.50 C ATOM 1157 O GLY A 81 10.695 -4.500 3.112 1.00 0.54 O ATOM 0 H GLY A 81 7.250 -5.100 4.116 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.773 -6.670 4.031 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.536 -6.795 2.796 1.00 0.57 H new ATOM 1161 N TYR A 82 8.852 -4.411 1.839 1.00 0.45 N ATOM 1162 CA TYR A 82 9.306 -3.279 1.051 1.00 0.44 C ATOM 1163 C TYR A 82 8.107 -2.442 0.645 1.00 0.41 C ATOM 1164 O TYR A 82 6.966 -2.874 0.811 1.00 0.46 O ATOM 1165 CB TYR A 82 10.061 -3.763 -0.198 1.00 0.54 C ATOM 1166 CG TYR A 82 9.187 -4.455 -1.231 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.489 -5.611 -0.908 1.00 1.33 C ATOM 1168 CD2 TYR A 82 9.065 -3.958 -2.525 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.693 -6.251 -1.841 1.00 1.92 C ATOM 1170 CE2 TYR A 82 8.271 -4.593 -3.464 1.00 1.53 C ATOM 1171 CZ TYR A 82 7.584 -5.712 -3.132 1.00 1.98 C ATOM 1172 OH TYR A 82 6.794 -6.373 -4.049 1.00 2.58 O ATOM 0 H TYR A 82 7.925 -4.753 1.585 1.00 0.45 H new ATOM 0 HA TYR A 82 9.987 -2.674 1.649 1.00 0.44 H new ATOM 0 HB2 TYR A 82 10.549 -2.908 -0.667 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.849 -4.449 0.112 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.569 -6.018 0.089 1.00 1.33 H new ATOM 0 HD2 TYR A 82 9.599 -3.061 -2.801 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.162 -7.154 -1.579 1.00 1.92 H new ATOM 0 HE2 TYR A 82 8.199 -4.195 -4.465 1.00 1.53 H new ATOM 0 HH TYR A 82 6.808 -5.890 -4.901 1.00 2.58 H new ATOM 1182 N TYR A 83 8.356 -1.256 0.125 1.00 0.36 N ATOM 1183 CA TYR A 83 7.284 -0.424 -0.380 1.00 0.38 C ATOM 1184 C TYR A 83 7.681 0.183 -1.717 1.00 0.38 C ATOM 1185 O TYR A 83 8.835 0.564 -1.923 1.00 0.43 O ATOM 1186 CB TYR A 83 6.901 0.673 0.630 1.00 0.39 C ATOM 1187 CG TYR A 83 7.910 1.798 0.772 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.880 2.897 -0.082 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.885 1.768 1.761 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.793 3.925 0.041 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.802 2.796 1.890 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.754 3.869 1.029 1.00 0.56 C ATOM 1193 OH TYR A 83 10.672 4.891 1.152 1.00 0.68 O ATOM 0 H TYR A 83 9.288 -0.849 0.042 1.00 0.36 H new ATOM 0 HA TYR A 83 6.405 -1.051 -0.527 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.943 1.100 0.333 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.755 0.211 1.607 1.00 0.39 H new ATOM 0 HD1 TYR A 83 7.128 2.946 -0.856 1.00 0.41 H new ATOM 0 HD2 TYR A 83 8.928 0.929 2.440 1.00 0.50 H new ATOM 0 HE1 TYR A 83 8.755 4.768 -0.633 1.00 0.49 H new ATOM 0 HE2 TYR A 83 10.554 2.757 2.664 1.00 0.58 H new ATOM 0 HH TYR A 83 10.246 5.664 1.578 1.00 0.68 H new ATOM 1203 N LEU A 84 6.734 0.230 -2.635 1.00 0.40 N ATOM 1204 CA LEU A 84 6.942 0.891 -3.908 1.00 0.42 C ATOM 1205 C LEU A 84 5.937 2.017 -4.055 1.00 0.43 C ATOM 1206 O LEU A 84 4.740 1.772 -4.204 1.00 0.50 O ATOM 1207 CB LEU A 84 6.793 -0.099 -5.066 1.00 0.51 C ATOM 1208 CG LEU A 84 7.816 -1.234 -5.096 1.00 0.66 C ATOM 1209 CD1 LEU A 84 7.528 -2.175 -6.255 1.00 1.42 C ATOM 1210 CD2 LEU A 84 9.228 -0.678 -5.202 1.00 1.21 C ATOM 0 H LEU A 84 5.809 -0.184 -2.521 1.00 0.40 H new ATOM 0 HA LEU A 84 7.954 1.295 -3.936 1.00 0.42 H new ATOM 0 HB2 LEU A 84 5.795 -0.534 -5.023 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.860 0.453 -6.004 1.00 0.51 H new ATOM 0 HG LEU A 84 7.736 -1.795 -4.165 1.00 0.66 H new ATOM 0 HD11 LEU A 84 8.265 -2.978 -6.263 1.00 1.42 H new ATOM 0 HD12 LEU A 84 6.530 -2.599 -6.140 1.00 1.42 H new ATOM 0 HD13 LEU A 84 7.582 -1.623 -7.194 1.00 1.42 H new ATOM 0 HD21 LEU A 84 9.943 -1.501 -5.222 1.00 1.21 H new ATOM 0 HD22 LEU A 84 9.321 -0.094 -6.118 1.00 1.21 H new ATOM 0 HD23 LEU A 84 9.433 -0.040 -4.342 1.00 1.21 H new ATOM 1222 N THR A 85 6.411 3.248 -4.005 1.00 0.43 N ATOM 1223 CA THR A 85 5.539 4.386 -4.071 1.00 0.47 C ATOM 1224 C THR A 85 5.248 4.718 -5.523 1.00 0.45 C ATOM 1225 O THR A 85 6.050 5.340 -6.217 1.00 0.50 O ATOM 1226 CB THR A 85 6.175 5.583 -3.354 1.00 0.58 C ATOM 1227 OG1 THR A 85 7.399 5.182 -2.720 1.00 0.75 O ATOM 1228 CG2 THR A 85 5.231 6.126 -2.300 1.00 0.98 C ATOM 0 H THR A 85 7.401 3.477 -3.918 1.00 0.43 H new ATOM 0 HA THR A 85 4.600 4.153 -3.570 1.00 0.47 H new ATOM 0 HB THR A 85 6.379 6.358 -4.093 1.00 0.58 H new ATOM 0 HG1 THR A 85 7.764 5.934 -2.208 1.00 0.75 H new ATOM 0 HG21 THR A 85 5.695 6.975 -1.799 1.00 0.98 H new ATOM 0 HG22 THR A 85 4.303 6.447 -2.773 1.00 0.98 H new ATOM 0 HG23 THR A 85 5.015 5.347 -1.569 1.00 0.98 H new ATOM 1236 N LEU A 86 4.094 4.262 -5.971 1.00 0.43 N ATOM 1237 CA LEU A 86 3.730 4.303 -7.371 1.00 0.43 C ATOM 1238 C LEU A 86 2.676 5.365 -7.611 1.00 0.45 C ATOM 1239 O LEU A 86 1.719 5.462 -6.853 1.00 0.50 O ATOM 1240 CB LEU A 86 3.148 2.953 -7.759 1.00 0.46 C ATOM 1241 CG LEU A 86 3.122 2.636 -9.242 1.00 0.63 C ATOM 1242 CD1 LEU A 86 4.454 2.063 -9.670 1.00 1.23 C ATOM 1243 CD2 LEU A 86 1.999 1.666 -9.547 1.00 1.35 C ATOM 0 H LEU A 86 3.380 3.851 -5.369 1.00 0.43 H new ATOM 0 HA LEU A 86 4.615 4.534 -7.964 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.719 2.175 -7.252 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.128 2.898 -7.379 1.00 0.46 H new ATOM 0 HG LEU A 86 2.944 3.555 -9.801 1.00 0.63 H new ATOM 0 HD11 LEU A 86 4.428 1.838 -10.736 1.00 1.23 H new ATOM 0 HD12 LEU A 86 5.243 2.789 -9.472 1.00 1.23 H new ATOM 0 HD13 LEU A 86 4.653 1.149 -9.111 1.00 1.23 H new ATOM 0 HD21 LEU A 86 1.989 1.445 -10.614 1.00 1.35 H new ATOM 0 HD22 LEU A 86 2.153 0.744 -8.987 1.00 1.35 H new ATOM 0 HD23 LEU A 86 1.046 2.111 -9.260 1.00 1.35 H new ATOM 1255 N THR A 87 2.825 6.155 -8.654 1.00 0.48 N ATOM 1256 CA THR A 87 1.758 7.057 -9.025 1.00 0.55 C ATOM 1257 C THR A 87 0.670 6.268 -9.752 1.00 0.55 C ATOM 1258 O THR A 87 0.953 5.588 -10.747 1.00 0.56 O ATOM 1259 CB THR A 87 2.281 8.207 -9.908 1.00 0.61 C ATOM 1260 OG1 THR A 87 3.050 7.687 -11.000 1.00 1.21 O ATOM 1261 CG2 THR A 87 3.141 9.159 -9.092 1.00 1.26 C ATOM 0 H THR A 87 3.654 6.191 -9.247 1.00 0.48 H new ATOM 0 HA THR A 87 1.342 7.506 -8.123 1.00 0.55 H new ATOM 0 HB THR A 87 1.421 8.751 -10.300 1.00 0.61 H new ATOM 0 HG1 THR A 87 2.728 6.790 -11.229 1.00 1.21 H new ATOM 0 HG21 THR A 87 3.501 9.964 -9.733 1.00 1.26 H new ATOM 0 HG22 THR A 87 2.548 9.579 -8.280 1.00 1.26 H new ATOM 0 HG23 THR A 87 3.991 8.617 -8.678 1.00 1.26 H new ATOM 1269 N ARG A 88 -0.566 6.374 -9.245 1.00 0.60 N ATOM 1270 CA ARG A 88 -1.702 5.569 -9.714 1.00 0.67 C ATOM 1271 C ARG A 88 -2.788 5.513 -8.642 1.00 0.71 C ATOM 1272 O ARG A 88 -2.476 5.314 -7.470 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.266 4.134 -10.012 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.387 3.210 -10.454 1.00 0.93 C ATOM 1275 CD ARG A 88 -1.911 1.767 -10.501 1.00 1.05 C ATOM 1276 NE ARG A 88 -1.496 1.333 -11.838 1.00 0.86 N ATOM 1277 CZ ARG A 88 -0.394 1.740 -12.479 1.00 0.99 C ATOM 1278 NH1 ARG A 88 0.398 2.685 -11.983 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -0.091 1.200 -13.639 1.00 1.34 N ATOM 0 H ARG A 88 -0.807 7.023 -8.496 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.083 6.038 -10.621 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.502 4.155 -10.790 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -0.800 3.717 -9.119 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.229 3.298 -9.767 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.746 3.511 -11.438 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -1.075 1.646 -9.812 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -2.712 1.117 -10.148 1.00 1.05 H new ATOM 0 HE ARG A 88 -2.097 0.665 -12.320 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.173 3.122 -11.089 1.00 1.06 H new ATOM 0 HH12 ARG A 88 1.231 2.973 -12.496 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -0.693 0.480 -14.039 1.00 1.34 H new ATOM 0 HH22 ARG A 88 0.746 1.501 -14.138 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.045 5.688 -9.053 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.202 5.485 -8.173 1.00 0.55 C ATOM 1295 C LEU A 89 -6.479 5.885 -8.908 1.00 0.55 C ATOM 1296 O LEU A 89 -6.511 6.892 -9.618 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.066 6.285 -6.862 1.00 0.62 C ATOM 1298 CG LEU A 89 -5.951 5.819 -5.689 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -7.374 6.319 -5.836 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -5.949 4.303 -5.580 1.00 1.06 C ATOM 0 H LEU A 89 -4.291 5.973 -10.001 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.248 4.429 -7.908 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.025 6.246 -6.543 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.296 7.330 -7.072 1.00 0.62 H new ATOM 0 HG LEU A 89 -5.529 6.242 -4.777 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -7.971 5.972 -4.992 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -7.376 7.409 -5.858 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -7.800 5.936 -6.763 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.580 3.997 -4.745 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -6.335 3.871 -6.504 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -4.931 3.952 -5.413 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.522 5.085 -8.743 1.00 0.47 N ATOM 1313 CA ASP A 90 -8.803 5.353 -9.375 1.00 0.52 C ATOM 1314 C ASP A 90 -9.920 5.373 -8.332 1.00 0.53 C ATOM 1315 O ASP A 90 -9.813 4.731 -7.287 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.091 4.304 -10.451 1.00 0.68 C ATOM 1317 CG ASP A 90 -10.457 4.483 -11.074 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -10.650 5.454 -11.836 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -11.354 3.668 -10.785 1.00 2.21 O ATOM 0 H ASP A 90 -7.504 4.240 -8.173 1.00 0.47 H new ATOM 0 HA ASP A 90 -8.760 6.334 -9.849 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -8.329 4.365 -11.228 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.021 3.308 -10.013 1.00 0.68 H new ATOM 1324 N LYS A 91 -10.986 6.115 -8.613 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.095 6.265 -7.674 1.00 0.75 C ATOM 1326 C LYS A 91 -12.784 4.919 -7.429 1.00 0.79 C ATOM 1327 O LYS A 91 -13.074 4.560 -6.285 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.095 7.297 -8.208 1.00 0.89 C ATOM 1329 CG LYS A 91 -13.608 8.268 -7.151 1.00 1.15 C ATOM 1330 CD LYS A 91 -14.469 7.574 -6.107 1.00 1.38 C ATOM 1331 CE LYS A 91 -14.904 8.532 -5.008 1.00 1.71 C ATOM 1332 NZ LYS A 91 -15.642 9.706 -5.549 1.00 2.24 N ATOM 0 H LYS A 91 -11.107 6.625 -9.488 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.702 6.618 -6.721 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -12.622 7.865 -9.009 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -13.944 6.772 -8.647 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -12.762 8.750 -6.661 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -14.187 9.055 -7.633 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -15.350 7.147 -6.587 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.912 6.746 -5.668 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.537 8.003 -4.296 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -14.027 8.877 -4.460 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -16.079 10.233 -4.766 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -14.981 10.327 -6.058 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -16.383 9.380 -6.202 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.022 4.166 -8.497 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.612 2.840 -8.371 1.00 0.94 C ATOM 1348 C ALA A 92 -12.631 1.892 -7.692 1.00 0.81 C ATOM 1349 O ALA A 92 -13.029 0.975 -6.975 1.00 0.81 O ATOM 1350 CB ALA A 92 -14.023 2.306 -9.735 1.00 1.13 C ATOM 0 H ALA A 92 -12.816 4.450 -9.455 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.507 2.912 -7.753 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -14.462 1.315 -9.621 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -14.756 2.977 -10.183 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -13.147 2.243 -10.380 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.340 2.140 -7.903 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.291 1.357 -7.264 1.00 0.67 C ATOM 1358 C ALA A 93 -10.327 1.546 -5.753 1.00 0.57 C ATOM 1359 O ALA A 93 -10.017 0.626 -4.999 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.924 1.735 -7.811 1.00 0.69 C ATOM 0 H ALA A 93 -10.997 2.881 -8.515 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.471 0.305 -7.488 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -8.157 1.137 -7.319 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -8.897 1.547 -8.884 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.736 2.792 -7.623 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.715 2.743 -5.319 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.887 3.029 -3.897 1.00 0.58 C ATOM 1368 C CYS A 94 -11.887 2.049 -3.289 1.00 0.60 C ATOM 1369 O CYS A 94 -11.626 1.443 -2.252 1.00 0.63 O ATOM 1370 CB CYS A 94 -11.362 4.478 -3.697 1.00 0.67 C ATOM 1371 SG CYS A 94 -11.559 4.989 -1.954 1.00 1.02 S ATOM 0 H CYS A 94 -10.917 3.532 -5.933 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.928 2.911 -3.392 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -10.650 5.148 -4.179 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -12.316 4.606 -4.208 1.00 0.67 H new ATOM 1376 N VAL A 95 -13.015 1.872 -3.968 1.00 0.64 N ATOM 1377 CA VAL A 95 -14.052 0.963 -3.498 1.00 0.71 C ATOM 1378 C VAL A 95 -13.623 -0.488 -3.681 1.00 0.65 C ATOM 1379 O VAL A 95 -13.934 -1.353 -2.863 1.00 0.67 O ATOM 1380 CB VAL A 95 -15.389 1.197 -4.238 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.485 0.302 -3.674 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.795 2.663 -4.159 1.00 1.04 C ATOM 0 H VAL A 95 -13.234 2.346 -4.844 1.00 0.64 H new ATOM 0 HA VAL A 95 -14.200 1.166 -2.437 1.00 0.71 H new ATOM 0 HB VAL A 95 -15.248 0.937 -5.287 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -17.416 0.485 -4.211 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -16.198 -0.743 -3.791 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.627 0.523 -2.616 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.738 2.808 -4.685 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.914 2.952 -3.115 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -15.023 3.280 -4.620 1.00 1.04 H new ATOM 1392 N SER A 96 -12.894 -0.741 -4.752 1.00 0.62 N ATOM 1393 CA SER A 96 -12.424 -2.077 -5.067 1.00 0.61 C ATOM 1394 C SER A 96 -11.462 -2.587 -3.992 1.00 0.55 C ATOM 1395 O SER A 96 -11.572 -3.721 -3.532 1.00 0.58 O ATOM 1396 CB SER A 96 -11.736 -2.059 -6.430 1.00 0.68 C ATOM 1397 OG SER A 96 -11.586 -3.368 -6.955 1.00 1.00 O ATOM 0 H SER A 96 -12.612 -0.029 -5.426 1.00 0.62 H new ATOM 0 HA SER A 96 -13.278 -2.754 -5.098 1.00 0.61 H new ATOM 0 HB2 SER A 96 -12.318 -1.452 -7.124 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.757 -1.588 -6.338 1.00 0.68 H new ATOM 0 HG SER A 96 -12.087 -3.443 -7.794 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.537 -1.734 -3.576 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.560 -2.105 -2.563 1.00 0.61 C ATOM 1405 C LEU A 97 -10.204 -2.186 -1.185 1.00 0.63 C ATOM 1406 O LEU A 97 -9.658 -2.799 -0.274 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.401 -1.110 -2.560 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.535 -1.135 -3.818 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.575 0.044 -3.831 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.764 -2.443 -3.902 1.00 0.89 C ATOM 0 H LEU A 97 -10.443 -0.780 -3.925 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.171 -3.094 -2.807 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.803 -0.105 -2.432 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.768 -1.313 -1.696 1.00 0.69 H new ATOM 0 HG LEU A 97 -8.188 -1.057 -4.687 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.967 0.008 -4.735 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -7.142 0.975 -3.811 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.927 -0.005 -2.956 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -6.151 -2.447 -4.803 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -6.122 -2.544 -3.027 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -7.465 -3.277 -3.936 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.365 -1.558 -1.043 1.00 0.64 N ATOM 1423 CA ALA A 98 -12.132 -1.620 0.197 1.00 0.75 C ATOM 1424 C ALA A 98 -13.095 -2.803 0.179 1.00 0.71 C ATOM 1425 O ALA A 98 -13.800 -3.069 1.153 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.878 -0.316 0.420 1.00 0.92 C ATOM 0 H ALA A 98 -11.799 -0.996 -1.776 1.00 0.64 H new ATOM 0 HA ALA A 98 -11.440 -1.766 1.026 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -13.446 -0.376 1.348 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -12.164 0.505 0.484 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.560 -0.140 -0.412 1.00 0.92 H new ATOM 1432 N THR A 99 -13.135 -3.495 -0.949 1.00 0.66 N ATOM 1433 CA THR A 99 -13.885 -4.730 -1.059 1.00 0.71 C ATOM 1434 C THR A 99 -12.923 -5.891 -1.295 1.00 0.66 C ATOM 1435 O THR A 99 -13.332 -7.031 -1.529 1.00 0.77 O ATOM 1436 CB THR A 99 -14.947 -4.657 -2.181 1.00 0.81 C ATOM 1437 OG1 THR A 99 -14.407 -4.031 -3.350 1.00 0.82 O ATOM 1438 CG2 THR A 99 -16.169 -3.882 -1.719 1.00 0.92 C ATOM 0 H THR A 99 -12.653 -3.218 -1.804 1.00 0.66 H new ATOM 0 HA THR A 99 -14.421 -4.891 -0.124 1.00 0.71 H new ATOM 0 HB THR A 99 -15.241 -5.678 -2.423 1.00 0.81 H new ATOM 0 HG1 THR A 99 -14.274 -3.075 -3.178 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.902 -3.844 -2.525 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.608 -4.377 -0.853 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.876 -2.868 -1.447 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.634 -5.578 -1.209 1.00 0.59 N ATOM 1447 CA LEU A 100 -10.578 -6.567 -1.346 1.00 0.61 C ATOM 1448 C LEU A 100 -9.937 -6.781 0.018 1.00 0.66 C ATOM 1449 O LEU A 100 -9.384 -5.853 0.599 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.529 -6.080 -2.362 1.00 0.60 C ATOM 1451 CG LEU A 100 -8.727 -7.176 -3.077 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -7.897 -6.570 -4.197 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.822 -7.921 -2.107 1.00 0.73 C ATOM 0 H LEU A 100 -11.295 -4.630 -1.042 1.00 0.59 H new ATOM 0 HA LEU A 100 -10.991 -7.508 -1.709 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -10.035 -5.477 -3.116 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.829 -5.423 -1.845 1.00 0.60 H new ATOM 0 HG LEU A 100 -9.435 -7.890 -3.497 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -7.332 -7.356 -4.698 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -8.556 -6.083 -4.916 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -7.207 -5.835 -3.782 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -7.268 -8.690 -2.644 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -7.122 -7.221 -1.652 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -8.427 -8.386 -1.329 1.00 0.73 H new ATOM 1465 N ASN A 101 -10.017 -7.993 0.541 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.502 -8.259 1.875 1.00 0.66 C ATOM 1467 C ASN A 101 -7.979 -8.327 1.882 1.00 0.70 C ATOM 1468 O ASN A 101 -7.384 -9.380 1.645 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.087 -9.546 2.455 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.647 -9.784 3.891 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -10.382 -9.215 4.833 1.00 1.29 O flip ATOM 1472 ND2 ASN A 101 -8.647 -10.448 4.148 1.00 1.12 N flip ATOM 0 H ASN A 101 -10.428 -8.799 0.070 1.00 0.60 H new ATOM 0 HA ASN A 101 -9.812 -7.426 2.506 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.175 -9.499 2.414 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -9.781 -10.391 1.839 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -8.107 -10.870 3.393 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -8.356 -10.577 5.117 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.354 -7.186 2.129 1.00 0.76 N ATOM 1480 CA LEU A 102 -5.918 -7.137 2.354 1.00 0.88 C ATOM 1481 C LEU A 102 -5.616 -7.512 3.794 1.00 0.99 C ATOM 1482 O LEU A 102 -5.194 -6.679 4.593 1.00 1.50 O ATOM 1483 CB LEU A 102 -5.339 -5.752 2.043 1.00 1.07 C ATOM 1484 CG LEU A 102 -5.142 -5.432 0.559 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -6.463 -5.103 -0.112 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -4.159 -4.289 0.396 1.00 1.47 C ATOM 0 H LEU A 102 -7.820 -6.280 2.179 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.447 -7.850 1.677 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -5.998 -4.998 2.474 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -4.377 -5.660 2.546 1.00 1.07 H new ATOM 0 HG LEU A 102 -4.734 -6.317 0.071 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -6.291 -4.880 -1.165 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -7.137 -5.956 -0.027 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -6.912 -4.236 0.373 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -4.027 -4.071 -0.664 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -4.543 -3.404 0.904 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -3.200 -4.569 0.831 1.00 1.47 H new ATOM 1498 N GLY A 103 -5.882 -8.763 4.128 1.00 0.92 N ATOM 1499 CA GLY A 103 -5.610 -9.248 5.464 1.00 1.04 C ATOM 1500 C GLY A 103 -4.927 -10.600 5.462 1.00 1.12 C ATOM 1501 O GLY A 103 -4.177 -10.917 6.387 1.00 1.70 O ATOM 0 H GLY A 103 -6.283 -9.455 3.495 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -4.981 -8.528 5.988 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -6.545 -9.318 6.019 1.00 1.04 H new ATOM 1505 N THR A 104 -5.191 -11.394 4.423 1.00 1.03 N ATOM 1506 CA THR A 104 -4.628 -12.737 4.302 1.00 1.28 C ATOM 1507 C THR A 104 -3.108 -12.732 4.471 1.00 1.06 C ATOM 1508 O THR A 104 -2.580 -13.269 5.446 1.00 1.25 O ATOM 1509 CB THR A 104 -4.976 -13.357 2.937 1.00 1.73 C ATOM 1510 OG1 THR A 104 -6.367 -13.162 2.651 1.00 2.31 O ATOM 1511 CG2 THR A 104 -4.656 -14.845 2.919 1.00 2.21 C ATOM 0 H THR A 104 -5.797 -11.126 3.648 1.00 1.03 H new ATOM 0 HA THR A 104 -5.068 -13.335 5.100 1.00 1.28 H new ATOM 0 HB THR A 104 -4.374 -12.862 2.175 1.00 1.73 H new ATOM 0 HG1 THR A 104 -6.581 -13.558 1.780 1.00 2.31 H new ATOM 0 HG21 THR A 104 -4.911 -15.260 1.944 1.00 2.21 H new ATOM 0 HG22 THR A 104 -3.593 -14.991 3.109 1.00 2.21 H new ATOM 0 HG23 THR A 104 -5.235 -15.351 3.691 1.00 2.21 H new ATOM 1519 N SER A 105 -2.409 -12.129 3.522 1.00 0.97 N ATOM 1520 CA SER A 105 -0.959 -12.058 3.579 1.00 1.06 C ATOM 1521 C SER A 105 -0.491 -10.609 3.687 1.00 1.02 C ATOM 1522 O SER A 105 0.629 -10.337 4.124 1.00 1.48 O ATOM 1523 CB SER A 105 -0.372 -12.722 2.337 1.00 1.35 C ATOM 1524 OG SER A 105 -1.034 -12.264 1.170 1.00 2.06 O ATOM 0 H SER A 105 -2.823 -11.682 2.704 1.00 0.97 H new ATOM 0 HA SER A 105 -0.611 -12.586 4.467 1.00 1.06 H new ATOM 0 HB2 SER A 105 0.693 -12.501 2.268 1.00 1.35 H new ATOM 0 HB3 SER A 105 -0.469 -13.805 2.416 1.00 1.35 H new ATOM 0 HG SER A 105 -0.477 -11.596 0.718 1.00 2.06 H new ATOM 1530 N ALA A 106 -1.373 -9.687 3.313 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.070 -8.260 3.327 1.00 0.73 C ATOM 1532 C ALA A 106 -0.600 -7.796 4.695 1.00 0.59 C ATOM 1533 O ALA A 106 -0.972 -8.370 5.722 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.289 -7.458 2.912 1.00 0.90 C ATOM 0 H ALA A 106 -2.316 -9.907 2.992 1.00 0.76 H new ATOM 0 HA ALA A 106 -0.261 -8.094 2.615 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.048 -6.395 2.927 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -2.589 -7.748 1.905 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.107 -7.654 3.605 1.00 0.90 H new ATOM 1540 N LYS A 107 0.218 -6.757 4.700 1.00 0.51 N ATOM 1541 CA LYS A 107 0.711 -6.200 5.943 1.00 0.47 C ATOM 1542 C LYS A 107 -0.289 -5.201 6.516 1.00 0.51 C ATOM 1543 O LYS A 107 -0.507 -5.151 7.727 1.00 0.70 O ATOM 1544 CB LYS A 107 2.072 -5.526 5.748 1.00 0.58 C ATOM 1545 CG LYS A 107 3.261 -6.403 6.110 1.00 0.99 C ATOM 1546 CD LYS A 107 3.365 -7.627 5.224 1.00 0.67 C ATOM 1547 CE LYS A 107 4.521 -8.516 5.653 1.00 1.07 C ATOM 1548 NZ LYS A 107 4.318 -9.083 7.016 1.00 1.69 N ATOM 0 H LYS A 107 0.552 -6.285 3.860 1.00 0.51 H new ATOM 0 HA LYS A 107 0.835 -7.022 6.648 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.166 -5.218 4.707 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.106 -4.620 6.353 1.00 0.58 H new ATOM 0 HG2 LYS A 107 4.178 -5.819 6.028 1.00 0.99 H new ATOM 0 HG3 LYS A 107 3.175 -6.717 7.150 1.00 0.99 H new ATOM 0 HD2 LYS A 107 2.433 -8.191 5.267 1.00 0.67 H new ATOM 0 HD3 LYS A 107 3.504 -7.319 4.188 1.00 0.67 H new ATOM 0 HE2 LYS A 107 4.637 -9.329 4.937 1.00 1.07 H new ATOM 0 HE3 LYS A 107 5.446 -7.940 5.635 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 4.872 -9.958 7.114 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 4.631 -8.394 7.729 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 3.309 -9.294 7.158 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.885 -4.404 5.637 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.890 -3.452 6.057 1.00 0.61 C ATOM 1564 C GLY A 108 -2.237 -2.475 4.963 1.00 0.58 C ATOM 1565 O GLY A 108 -1.588 -2.442 3.919 1.00 0.81 O ATOM 0 H GLY A 108 -0.687 -4.402 4.636 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.789 -3.986 6.364 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -1.530 -2.906 6.929 1.00 0.61 H new ATOM 1569 N TYR A 109 -3.247 -1.665 5.206 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.714 -0.719 4.215 1.00 0.49 C ATOM 1571 C TYR A 109 -3.942 0.643 4.866 1.00 0.47 C ATOM 1572 O TYR A 109 -4.695 0.758 5.831 1.00 0.51 O ATOM 1573 CB TYR A 109 -5.005 -1.253 3.586 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.526 -0.439 2.427 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -6.262 0.716 2.637 1.00 1.25 C ATOM 1576 CD2 TYR A 109 -5.291 -0.840 1.124 1.00 0.98 C ATOM 1577 CE1 TYR A 109 -6.750 1.454 1.576 1.00 1.39 C ATOM 1578 CE2 TYR A 109 -5.775 -0.111 0.055 1.00 1.13 C ATOM 1579 CZ TYR A 109 -6.504 1.035 0.286 1.00 0.99 C ATOM 1580 OH TYR A 109 -6.988 1.764 -0.772 1.00 1.28 O ATOM 0 H TYR A 109 -3.762 -1.644 6.086 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.966 -0.596 3.432 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.832 -2.274 3.246 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.776 -1.299 4.355 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -6.457 1.045 3.647 1.00 1.25 H new ATOM 0 HD2 TYR A 109 -4.720 -1.738 0.939 1.00 0.98 H new ATOM 0 HE1 TYR A 109 -7.320 2.353 1.756 1.00 1.39 H new ATOM 0 HE2 TYR A 109 -5.583 -0.438 -0.956 1.00 1.13 H new ATOM 0 HH TYR A 109 -7.669 2.392 -0.452 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.296 1.668 4.335 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.414 2.993 4.910 1.00 0.48 C ATOM 1592 C GLY A 110 -3.794 4.030 3.878 1.00 0.52 C ATOM 1593 O GLY A 110 -3.679 3.789 2.678 1.00 0.85 O ATOM 0 H GLY A 110 -2.691 1.608 3.516 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -4.163 2.979 5.701 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.467 3.272 5.372 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.253 5.182 4.338 1.00 0.44 N ATOM 1598 CA VAL A 111 -4.631 6.261 3.439 1.00 0.50 C ATOM 1599 C VAL A 111 -4.069 7.597 3.920 1.00 0.50 C ATOM 1600 O VAL A 111 -4.252 7.979 5.076 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.170 6.356 3.283 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -6.847 6.543 4.631 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -6.553 7.482 2.332 1.00 1.53 C ATOM 0 H VAL A 111 -4.373 5.395 5.328 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.203 6.033 2.463 1.00 0.50 H new ATOM 0 HB VAL A 111 -6.518 5.415 2.857 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -7.926 6.606 4.491 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.614 5.696 5.276 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.487 7.461 5.095 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -7.638 7.527 2.240 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.182 8.430 2.722 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.113 7.296 1.352 1.00 1.53 H new ATOM 1613 N ASN A 112 -3.372 8.289 3.022 1.00 0.53 N ATOM 1614 CA ASN A 112 -2.799 9.603 3.307 1.00 0.60 C ATOM 1615 C ASN A 112 -1.761 9.516 4.426 1.00 0.56 C ATOM 1616 O ASN A 112 -1.730 10.343 5.340 1.00 0.69 O ATOM 1617 CB ASN A 112 -3.902 10.602 3.671 1.00 0.69 C ATOM 1618 CG ASN A 112 -3.507 12.035 3.378 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -2.331 12.394 3.403 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -4.493 12.865 3.079 1.00 1.16 N ATOM 0 H ASN A 112 -3.188 7.955 2.076 1.00 0.53 H new ATOM 0 HA ASN A 112 -2.296 9.956 2.407 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -4.807 10.357 3.115 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.142 10.504 4.730 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -4.290 13.840 2.859 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -5.456 12.530 3.069 1.00 1.16 H new ATOM 1627 N ILE A 113 -0.916 8.499 4.345 1.00 0.54 N ATOM 1628 CA ILE A 113 0.201 8.353 5.266 1.00 0.54 C ATOM 1629 C ILE A 113 1.462 8.948 4.648 1.00 0.60 C ATOM 1630 O ILE A 113 1.764 8.696 3.483 1.00 0.73 O ATOM 1631 CB ILE A 113 0.447 6.863 5.642 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.390 6.458 6.861 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.921 6.587 5.914 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -1.879 6.432 6.612 1.00 0.83 C ATOM 0 H ILE A 113 -0.984 7.759 3.647 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.049 8.890 6.181 1.00 0.54 H new ATOM 0 HB ILE A 113 0.139 6.264 4.785 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.072 5.470 7.193 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.182 7.151 7.676 1.00 0.77 H new ATOM 0 HG21 ILE A 113 2.053 5.536 6.173 1.00 0.76 H new ATOM 0 HG22 ILE A 113 2.505 6.817 5.023 1.00 0.76 H new ATOM 0 HG23 ILE A 113 2.261 7.210 6.741 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.395 6.136 7.525 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.215 7.424 6.311 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.103 5.717 5.820 1.00 0.83 H new ATOM 1646 N SER A 114 2.160 9.772 5.413 1.00 0.60 N ATOM 1647 CA SER A 114 3.444 10.292 4.986 1.00 0.70 C ATOM 1648 C SER A 114 4.555 9.616 5.785 1.00 0.67 C ATOM 1649 O SER A 114 4.946 10.093 6.856 1.00 0.77 O ATOM 1650 CB SER A 114 3.496 11.815 5.166 1.00 0.83 C ATOM 1651 OG SER A 114 4.695 12.362 4.638 1.00 1.58 O ATOM 0 H SER A 114 1.857 10.094 6.332 1.00 0.60 H new ATOM 0 HA SER A 114 3.584 10.076 3.927 1.00 0.70 H new ATOM 0 HB2 SER A 114 2.638 12.270 4.671 1.00 0.83 H new ATOM 0 HB3 SER A 114 3.419 12.060 6.225 1.00 0.83 H new ATOM 0 HG SER A 114 4.696 13.333 4.767 1.00 1.58 H new ATOM 1657 N GLY A 115 5.033 8.486 5.289 1.00 0.70 N ATOM 1658 CA GLY A 115 6.067 7.760 5.991 1.00 0.70 C ATOM 1659 C GLY A 115 5.744 6.290 6.135 1.00 0.70 C ATOM 1660 O GLY A 115 5.402 5.830 7.221 1.00 0.75 O ATOM 0 H GLY A 115 4.724 8.060 4.415 1.00 0.70 H new ATOM 0 HA2 GLY A 115 7.011 7.871 5.457 1.00 0.70 H new ATOM 0 HA3 GLY A 115 6.206 8.197 6.980 1.00 0.70 H new ATOM 1664 N GLU A 116 5.828 5.561 5.031 1.00 0.73 N ATOM 1665 CA GLU A 116 5.638 4.123 5.032 1.00 0.77 C ATOM 1666 C GLU A 116 6.720 3.433 5.858 1.00 0.75 C ATOM 1667 O GLU A 116 6.482 2.394 6.476 1.00 0.84 O ATOM 1668 CB GLU A 116 5.656 3.587 3.599 1.00 0.82 C ATOM 1669 CG GLU A 116 4.388 3.868 2.811 1.00 0.97 C ATOM 1670 CD GLU A 116 4.374 5.248 2.186 1.00 1.60 C ATOM 1671 OE1 GLU A 116 4.386 6.246 2.931 1.00 2.30 O ATOM 1672 OE2 GLU A 116 4.350 5.332 0.936 1.00 2.05 O ATOM 0 H GLU A 116 6.030 5.953 4.111 1.00 0.73 H new ATOM 0 HA GLU A 116 4.669 3.908 5.483 1.00 0.77 H new ATOM 0 HB2 GLU A 116 6.503 4.025 3.070 1.00 0.82 H new ATOM 0 HB3 GLU A 116 5.821 2.510 3.628 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.280 3.119 2.027 1.00 0.97 H new ATOM 0 HG3 GLU A 116 3.526 3.765 3.471 1.00 0.97 H new ATOM 1679 N ASN A 117 7.905 4.028 5.869 1.00 0.67 N ATOM 1680 CA ASN A 117 9.039 3.490 6.615 1.00 0.67 C ATOM 1681 C ASN A 117 8.715 3.423 8.107 1.00 0.69 C ATOM 1682 O ASN A 117 9.206 2.552 8.826 1.00 0.75 O ATOM 1683 CB ASN A 117 10.276 4.360 6.371 1.00 0.71 C ATOM 1684 CG ASN A 117 11.559 3.746 6.906 1.00 1.03 C ATOM 1685 OD1 ASN A 117 11.944 3.977 8.052 1.00 1.95 O ATOM 1686 ND2 ASN A 117 12.237 2.972 6.071 1.00 0.96 N ATOM 0 H ASN A 117 8.109 4.891 5.365 1.00 0.67 H new ATOM 0 HA ASN A 117 9.245 2.477 6.268 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.384 4.534 5.300 1.00 0.71 H new ATOM 0 HB3 ASN A 117 10.125 5.333 6.838 1.00 0.71 H new ATOM 0 HD21 ASN A 117 13.112 2.543 6.370 1.00 0.96 H new ATOM 0 HD22 ASN A 117 11.883 2.806 5.129 1.00 0.96 H new ATOM 1693 N ASN A 118 7.862 4.338 8.555 1.00 0.70 N ATOM 1694 CA ASN A 118 7.428 4.387 9.945 1.00 0.80 C ATOM 1695 C ASN A 118 5.900 4.403 10.021 1.00 0.82 C ATOM 1696 O ASN A 118 5.310 5.158 10.802 1.00 1.00 O ATOM 1697 CB ASN A 118 8.016 5.620 10.655 1.00 0.90 C ATOM 1698 CG ASN A 118 7.630 6.947 10.010 1.00 1.75 C ATOM 1699 OD1 ASN A 118 7.450 7.044 8.797 1.00 2.60 O ATOM 1700 ND2 ASN A 118 7.503 7.984 10.825 1.00 2.33 N ATOM 0 H ASN A 118 7.454 5.064 7.966 1.00 0.70 H new ATOM 0 HA ASN A 118 7.794 3.495 10.453 1.00 0.80 H new ATOM 0 HB2 ASN A 118 7.684 5.622 11.693 1.00 0.90 H new ATOM 0 HB3 ASN A 118 9.103 5.536 10.668 1.00 0.90 H new ATOM 0 HD21 ASN A 118 7.249 8.898 10.451 1.00 2.33 H new ATOM 0 HD22 ASN A 118 7.660 7.868 11.826 1.00 2.33 H new ATOM 1707 N ILE A 119 5.278 3.545 9.208 1.00 0.78 N ATOM 1708 CA ILE A 119 3.821 3.430 9.114 1.00 0.87 C ATOM 1709 C ILE A 119 3.157 3.312 10.492 1.00 0.71 C ATOM 1710 O ILE A 119 3.699 2.690 11.413 1.00 0.73 O ATOM 1711 CB ILE A 119 3.441 2.210 8.235 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.923 2.092 8.069 1.00 1.45 C ATOM 1713 CG2 ILE A 119 4.014 0.926 8.814 1.00 1.38 C ATOM 1714 CD1 ILE A 119 1.307 3.217 7.266 1.00 2.02 C ATOM 0 H ILE A 119 5.777 2.905 8.591 1.00 0.78 H new ATOM 0 HA ILE A 119 3.451 4.346 8.653 1.00 0.87 H new ATOM 0 HB ILE A 119 3.875 2.369 7.248 1.00 1.22 H new ATOM 0 HG12 ILE A 119 1.693 1.143 7.584 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.460 2.066 9.055 1.00 1.45 H new ATOM 0 HG21 ILE A 119 3.734 0.084 8.180 1.00 1.38 H new ATOM 0 HG22 ILE A 119 5.101 1.000 8.859 1.00 1.38 H new ATOM 0 HG23 ILE A 119 3.619 0.771 9.818 1.00 1.38 H new ATOM 0 HD11 ILE A 119 0.230 3.064 7.192 1.00 2.02 H new ATOM 0 HD12 ILE A 119 1.505 4.168 7.761 1.00 2.02 H new ATOM 0 HD13 ILE A 119 1.741 3.231 6.266 1.00 2.02 H new ATOM 1726 N THR A 120 1.981 3.918 10.615 1.00 0.70 N ATOM 1727 CA THR A 120 1.249 3.968 11.871 1.00 0.64 C ATOM 1728 C THR A 120 0.589 2.628 12.201 1.00 0.56 C ATOM 1729 O THR A 120 0.621 1.690 11.400 1.00 0.54 O ATOM 1730 CB THR A 120 0.176 5.073 11.824 1.00 0.79 C ATOM 1731 OG1 THR A 120 -0.607 4.940 10.631 1.00 1.59 O ATOM 1732 CG2 THR A 120 0.811 6.453 11.864 1.00 1.33 C ATOM 0 H THR A 120 1.509 4.389 9.843 1.00 0.70 H new ATOM 0 HA THR A 120 1.972 4.192 12.656 1.00 0.64 H new ATOM 0 HB THR A 120 -0.465 4.962 12.699 1.00 0.79 H new ATOM 0 HG1 THR A 120 -1.289 5.644 10.607 1.00 1.59 H new ATOM 0 HG21 THR A 120 0.031 7.214 11.830 1.00 1.33 H new ATOM 0 HG22 THR A 120 1.385 6.563 12.784 1.00 1.33 H new ATOM 0 HG23 THR A 120 1.473 6.574 11.007 1.00 1.33 H new ATOM 1740 N SER A 121 0.007 2.545 13.394 1.00 0.57 N ATOM 1741 CA SER A 121 -0.682 1.343 13.839 1.00 0.55 C ATOM 1742 C SER A 121 -1.884 1.039 12.946 1.00 0.52 C ATOM 1743 O SER A 121 -2.454 1.939 12.327 1.00 0.57 O ATOM 1744 CB SER A 121 -1.131 1.521 15.288 1.00 0.65 C ATOM 1745 OG SER A 121 -0.040 1.894 16.114 1.00 1.27 O ATOM 0 H SER A 121 0.001 3.305 14.074 1.00 0.57 H new ATOM 0 HA SER A 121 0.006 0.500 13.773 1.00 0.55 H new ATOM 0 HB2 SER A 121 -1.909 2.282 15.341 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.568 0.592 15.654 1.00 0.65 H new ATOM 0 HG SER A 121 -0.351 2.004 17.037 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.265 -0.228 12.890 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.332 -0.670 12.010 1.00 0.50 C ATOM 1753 C PHE A 122 -4.606 -0.951 12.794 1.00 0.53 C ATOM 1754 O PHE A 122 -4.581 -1.621 13.828 1.00 0.68 O ATOM 1755 CB PHE A 122 -2.894 -1.923 11.252 1.00 0.52 C ATOM 1756 CG PHE A 122 -1.673 -1.711 10.402 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -1.778 -1.137 9.146 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.424 -2.097 10.856 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.659 -0.950 8.360 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.700 -1.911 10.075 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.586 -1.300 8.838 1.00 0.63 C ATOM 0 H PHE A 122 -1.847 -0.972 13.449 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.542 0.128 11.297 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -2.695 -2.721 11.968 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -3.714 -2.261 10.619 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -2.746 -0.832 8.777 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -0.327 -2.549 11.832 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -0.759 -0.529 7.370 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.666 -2.241 10.429 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.469 -1.098 8.250 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.715 -0.441 12.283 1.00 0.53 N ATOM 1772 CA GLY A 123 -6.993 -0.604 12.947 1.00 0.60 C ATOM 1773 C GLY A 123 -8.046 -1.193 12.027 1.00 0.67 C ATOM 1774 O GLY A 123 -7.826 -2.238 11.415 1.00 1.24 O ATOM 0 H GLY A 123 -5.754 0.088 11.412 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -6.869 -1.251 13.816 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.335 0.363 13.316 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.174 -0.509 11.896 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.293 -1.021 11.107 1.00 0.60 C ATOM 1780 C ASN A 124 -11.028 0.111 10.392 1.00 0.61 C ATOM 1781 O ASN A 124 -12.213 -0.008 10.070 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.268 -1.798 12.006 1.00 0.81 C ATOM 1783 CG ASN A 124 -12.010 -0.915 12.999 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -11.514 0.130 13.426 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -13.202 -1.337 13.384 1.00 2.45 N ATOM 0 H ASN A 124 -9.341 0.401 12.324 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.890 -1.695 10.351 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.994 -2.316 11.379 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -10.716 -2.562 12.553 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -13.743 -0.793 14.056 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -13.581 -2.207 13.009 1.00 2.45 H new ATOM 1792 N SER A 125 -10.333 1.219 10.156 1.00 0.51 N ATOM 1793 CA SER A 125 -10.911 2.338 9.418 1.00 0.55 C ATOM 1794 C SER A 125 -9.838 3.083 8.636 1.00 0.49 C ATOM 1795 O SER A 125 -8.685 3.161 9.063 1.00 0.64 O ATOM 1796 CB SER A 125 -11.605 3.303 10.381 1.00 0.73 C ATOM 1797 OG SER A 125 -12.602 2.632 11.134 1.00 1.33 O ATOM 0 H SER A 125 -9.372 1.367 10.464 1.00 0.51 H new ATOM 0 HA SER A 125 -11.642 1.938 8.716 1.00 0.55 H new ATOM 0 HB2 SER A 125 -10.870 3.744 11.054 1.00 0.73 H new ATOM 0 HB3 SER A 125 -12.056 4.122 9.820 1.00 0.73 H new ATOM 0 HG SER A 125 -13.033 3.266 11.745 1.00 1.33 H new ATOM 1803 N ALA A 126 -10.205 3.594 7.469 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.326 4.472 6.725 1.00 0.57 C ATOM 1805 C ALA A 126 -9.853 5.895 6.754 1.00 0.73 C ATOM 1806 O ALA A 126 -10.810 6.231 6.065 1.00 1.25 O ATOM 1807 CB ALA A 126 -9.175 4.001 5.288 1.00 0.62 C ATOM 0 H ALA A 126 -11.104 3.414 7.022 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.345 4.447 7.199 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -8.510 4.678 4.751 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -8.755 2.995 5.277 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -10.151 3.992 4.804 1.00 0.62 H new ATOM 1813 N ASP A 127 -9.214 6.718 7.549 1.00 0.96 N ATOM 1814 CA ASP A 127 -9.544 8.128 7.626 1.00 1.08 C ATOM 1815 C ASP A 127 -8.266 8.885 7.918 1.00 0.90 C ATOM 1816 O ASP A 127 -8.043 9.365 9.029 1.00 1.34 O ATOM 1817 CB ASP A 127 -10.611 8.376 8.699 1.00 1.42 C ATOM 1818 CG ASP A 127 -11.044 9.829 8.788 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -11.898 10.248 7.983 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -10.545 10.555 9.673 1.00 1.40 O ATOM 0 H ASP A 127 -8.450 6.434 8.162 1.00 0.96 H new ATOM 0 HA ASP A 127 -9.966 8.477 6.683 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -11.482 7.756 8.486 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -10.224 8.059 9.667 1.00 1.42 H new ATOM 1825 N GLN A 128 -7.400 8.916 6.907 1.00 0.95 N ATOM 1826 CA GLN A 128 -6.039 9.419 7.053 1.00 0.92 C ATOM 1827 C GLN A 128 -5.283 8.566 8.070 1.00 0.83 C ATOM 1828 O GLN A 128 -4.373 9.036 8.754 1.00 1.02 O ATOM 1829 CB GLN A 128 -6.033 10.900 7.445 1.00 1.02 C ATOM 1830 CG GLN A 128 -6.267 11.855 6.277 1.00 1.17 C ATOM 1831 CD GLN A 128 -7.525 11.547 5.481 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -8.608 12.030 5.798 1.00 1.72 O ATOM 1833 NE2 GLN A 128 -7.388 10.747 4.433 1.00 2.54 N ATOM 0 H GLN A 128 -7.623 8.593 5.966 1.00 0.95 H new ATOM 0 HA GLN A 128 -5.531 9.345 6.092 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -6.803 11.069 8.198 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -5.076 11.138 7.909 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -6.329 12.874 6.659 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -5.406 11.817 5.609 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -6.472 10.364 4.200 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -8.199 10.514 3.860 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.667 7.291 8.123 1.00 0.65 N ATOM 1843 CA ALA A 129 -5.082 6.324 9.037 1.00 0.63 C ATOM 1844 C ALA A 129 -4.940 4.973 8.343 1.00 0.52 C ATOM 1845 O ALA A 129 -5.389 4.803 7.204 1.00 0.47 O ATOM 1846 CB ALA A 129 -5.946 6.186 10.282 1.00 0.69 C ATOM 0 H ALA A 129 -6.398 6.902 7.527 1.00 0.65 H new ATOM 0 HA ALA A 129 -4.094 6.674 9.336 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -5.496 5.459 10.958 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -6.019 7.151 10.783 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -6.943 5.849 9.998 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.328 4.016 9.028 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.119 2.687 8.474 1.00 0.50 C ATOM 1854 C ALA A 130 -4.975 1.645 9.194 1.00 0.47 C ATOM 1855 O ALA A 130 -5.288 1.792 10.376 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.647 2.313 8.559 1.00 0.58 C ATOM 0 H ALA A 130 -3.966 4.138 9.974 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.423 2.703 7.428 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.500 1.317 8.142 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.055 3.034 7.994 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.329 2.320 9.602 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.349 0.590 8.482 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.137 -0.485 9.069 1.00 0.44 C ATOM 1864 C LYS A 131 -5.504 -1.833 8.735 1.00 0.45 C ATOM 1865 O LYS A 131 -4.664 -1.925 7.838 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.596 -0.435 8.586 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.911 -1.346 7.403 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.264 -0.876 6.111 1.00 0.62 C ATOM 1869 CE LYS A 131 -8.130 0.130 5.376 1.00 0.89 C ATOM 1870 NZ LYS A 131 -8.599 1.215 6.266 1.00 1.43 N ATOM 0 H LYS A 131 -5.119 0.456 7.497 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.145 -0.355 10.151 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.248 -0.704 9.417 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -7.838 0.592 8.310 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.571 -2.357 7.628 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -8.991 -1.396 7.266 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.296 -0.428 6.333 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.078 -1.734 5.465 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -7.564 0.559 4.549 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -8.990 -0.381 4.943 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.214 1.861 5.731 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -9.132 0.807 7.060 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -7.780 1.741 6.633 1.00 1.43 H new ATOM 1884 N SER A 132 -5.913 -2.871 9.448 1.00 0.49 N ATOM 1885 CA SER A 132 -5.333 -4.190 9.274 1.00 0.59 C ATOM 1886 C SER A 132 -6.038 -4.990 8.174 1.00 0.68 C ATOM 1887 O SER A 132 -5.426 -5.840 7.535 1.00 0.97 O ATOM 1888 CB SER A 132 -5.376 -4.941 10.602 1.00 0.69 C ATOM 1889 OG SER A 132 -6.681 -4.926 11.158 1.00 1.43 O ATOM 0 H SER A 132 -6.647 -2.823 10.155 1.00 0.49 H new ATOM 0 HA SER A 132 -4.297 -4.067 8.957 1.00 0.59 H new ATOM 0 HB2 SER A 132 -5.054 -5.971 10.451 1.00 0.69 H new ATOM 0 HB3 SER A 132 -4.674 -4.488 11.302 1.00 0.69 H new ATOM 0 HG SER A 132 -6.680 -5.415 12.007 1.00 1.43 H new ATOM 1895 N THR A 133 -7.321 -4.722 7.953 1.00 0.72 N ATOM 1896 CA THR A 133 -8.073 -5.424 6.918 1.00 0.93 C ATOM 1897 C THR A 133 -8.883 -4.458 6.066 1.00 0.69 C ATOM 1898 O THR A 133 -9.597 -3.607 6.590 1.00 1.11 O ATOM 1899 CB THR A 133 -9.025 -6.472 7.515 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.815 -5.877 8.557 1.00 2.38 O ATOM 1901 CG2 THR A 133 -8.256 -7.667 8.063 1.00 2.26 C ATOM 0 H THR A 133 -7.859 -4.029 8.473 1.00 0.72 H new ATOM 0 HA THR A 133 -7.334 -5.927 6.294 1.00 0.93 H new ATOM 0 HB THR A 133 -9.681 -6.828 6.720 1.00 1.84 H new ATOM 0 HG1 THR A 133 -10.123 -4.992 8.269 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.957 -8.391 8.479 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.687 -8.133 7.259 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.573 -7.333 8.844 1.00 2.26 H new ATOM 1909 N ALA A 134 -8.803 -4.627 4.757 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.423 -3.693 3.821 1.00 1.50 C ATOM 1911 C ALA A 134 -10.708 -4.266 3.229 1.00 1.30 C ATOM 1912 O ALA A 134 -10.989 -4.104 2.048 1.00 1.86 O ATOM 1913 CB ALA A 134 -8.439 -3.333 2.720 1.00 2.33 C ATOM 0 H ALA A 134 -8.314 -5.404 4.313 1.00 0.82 H new ATOM 0 HA ALA A 134 -9.690 -2.789 4.368 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -8.909 -2.636 2.026 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -7.556 -2.868 3.159 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -8.146 -4.236 2.185 1.00 2.33 H new ATOM 1919 N ILE A 135 -11.493 -4.913 4.069 1.00 0.99 N ATOM 1920 CA ILE A 135 -12.735 -5.529 3.632 1.00 0.96 C ATOM 1921 C ILE A 135 -13.919 -4.831 4.303 1.00 1.21 C ATOM 1922 O ILE A 135 -13.716 -3.984 5.174 1.00 2.09 O ATOM 1923 CB ILE A 135 -12.743 -7.040 3.973 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -13.853 -7.773 3.210 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -12.900 -7.248 5.477 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -13.874 -9.266 3.452 1.00 1.72 C ATOM 0 H ILE A 135 -11.293 -5.027 5.063 1.00 0.99 H new ATOM 0 HA ILE A 135 -12.820 -5.422 2.551 1.00 0.96 H new ATOM 0 HB ILE A 135 -11.787 -7.460 3.662 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -14.817 -7.354 3.498 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -13.731 -7.589 2.143 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -12.904 -8.315 5.698 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -12.070 -6.772 5.999 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -13.839 -6.805 5.809 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.685 -9.716 2.880 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -12.924 -9.699 3.138 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -14.028 -9.460 4.513 1.00 1.72 H new ATOM 1938 N THR A 136 -15.139 -5.191 3.899 1.00 1.18 N ATOM 1939 CA THR A 136 -16.358 -4.638 4.480 1.00 1.62 C ATOM 1940 C THR A 136 -16.675 -3.254 3.903 1.00 1.09 C ATOM 1941 O THR A 136 -15.866 -2.331 3.977 1.00 1.00 O ATOM 1942 CB THR A 136 -16.270 -4.570 6.027 1.00 2.43 C ATOM 1943 OG1 THR A 136 -16.039 -5.884 6.555 1.00 3.11 O ATOM 1944 CG2 THR A 136 -17.542 -4.002 6.639 1.00 3.17 C ATOM 0 H THR A 136 -15.307 -5.874 3.160 1.00 1.18 H new ATOM 0 HA THR A 136 -17.172 -5.313 4.215 1.00 1.62 H new ATOM 0 HB THR A 136 -15.443 -3.908 6.284 1.00 2.43 H new ATOM 0 HG1 THR A 136 -15.982 -5.838 7.532 1.00 3.11 H new ATOM 0 HG21 THR A 136 -17.441 -3.971 7.724 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.709 -2.993 6.261 1.00 3.17 H new ATOM 0 HG23 THR A 136 -18.388 -4.635 6.371 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.871 -3.108 3.305 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.324 -1.852 2.685 1.00 1.06 C ATOM 1954 C PRO A 137 -18.306 -0.662 3.645 1.00 0.97 C ATOM 1955 O PRO A 137 -18.294 0.491 3.210 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.759 -2.156 2.237 1.00 1.46 C ATOM 1957 CG PRO A 137 -20.145 -3.405 2.950 1.00 1.55 C ATOM 1958 CD PRO A 137 -18.876 -4.171 3.163 1.00 1.31 C ATOM 0 HA PRO A 137 -17.661 -1.558 1.871 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -20.431 -1.336 2.491 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -19.812 -2.289 1.156 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -20.627 -3.178 3.901 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -20.856 -3.985 2.362 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -18.928 -4.799 4.052 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -18.654 -4.827 2.321 1.00 1.31 H new ATOM 1966 N ALA A 138 -18.315 -0.941 4.945 1.00 1.04 N ATOM 1967 CA ALA A 138 -18.188 0.107 5.950 1.00 1.16 C ATOM 1968 C ALA A 138 -16.847 0.819 5.806 1.00 0.92 C ATOM 1969 O ALA A 138 -16.766 2.043 5.913 1.00 0.97 O ATOM 1970 CB ALA A 138 -18.339 -0.466 7.352 1.00 1.54 C ATOM 0 H ALA A 138 -18.409 -1.883 5.326 1.00 1.04 H new ATOM 0 HA ALA A 138 -18.987 0.832 5.792 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -18.240 0.335 8.085 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -19.320 -0.930 7.452 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -17.565 -1.213 7.525 1.00 1.54 H new ATOM 1976 N GLU A 139 -15.801 0.043 5.538 1.00 0.82 N ATOM 1977 CA GLU A 139 -14.477 0.591 5.298 1.00 0.81 C ATOM 1978 C GLU A 139 -14.480 1.414 4.014 1.00 0.71 C ATOM 1979 O GLU A 139 -13.882 2.488 3.951 1.00 0.80 O ATOM 1980 CB GLU A 139 -13.451 -0.539 5.204 1.00 0.97 C ATOM 1981 CG GLU A 139 -12.023 -0.055 5.040 1.00 1.27 C ATOM 1982 CD GLU A 139 -11.573 0.818 6.190 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -11.893 2.021 6.191 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -10.862 0.310 7.080 1.00 2.13 O ATOM 0 H GLU A 139 -15.850 -0.974 5.482 1.00 0.82 H new ATOM 0 HA GLU A 139 -14.204 1.241 6.130 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -13.516 -1.152 6.103 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.707 -1.181 4.361 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -11.358 -0.915 4.959 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -11.937 0.504 4.108 1.00 1.27 H new ATOM 1991 N ALA A 140 -15.183 0.916 3.004 1.00 0.71 N ATOM 1992 CA ALA A 140 -15.319 1.626 1.735 1.00 0.90 C ATOM 1993 C ALA A 140 -15.944 3.000 1.951 1.00 0.85 C ATOM 1994 O ALA A 140 -15.524 3.990 1.352 1.00 1.08 O ATOM 1995 CB ALA A 140 -16.156 0.810 0.758 1.00 1.09 C ATOM 0 H ALA A 140 -15.670 0.020 3.038 1.00 0.71 H new ATOM 0 HA ALA A 140 -14.324 1.765 1.311 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -16.248 1.352 -0.183 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -15.672 -0.150 0.578 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -17.147 0.643 1.179 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.941 3.053 2.825 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.622 4.301 3.136 1.00 0.82 C ATOM 2003 C ALA A 141 -16.732 5.226 3.960 1.00 0.79 C ATOM 2004 O ALA A 141 -16.947 6.437 3.998 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.923 4.022 3.875 1.00 0.95 C ATOM 0 H ALA A 141 -17.296 2.242 3.332 1.00 0.71 H new ATOM 0 HA ALA A 141 -17.850 4.804 2.196 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.422 4.964 4.101 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -19.572 3.409 3.250 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.708 3.493 4.803 1.00 0.95 H new ATOM 2011 N THR A 142 -15.732 4.652 4.614 1.00 0.72 N ATOM 2012 CA THR A 142 -14.823 5.422 5.449 1.00 0.83 C ATOM 2013 C THR A 142 -13.663 5.971 4.617 1.00 0.97 C ATOM 2014 O THR A 142 -13.396 7.172 4.624 1.00 1.17 O ATOM 2015 CB THR A 142 -14.278 4.557 6.604 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.367 3.912 7.285 1.00 0.81 O ATOM 2017 CG2 THR A 142 -13.496 5.403 7.598 1.00 1.00 C ATOM 0 H THR A 142 -15.530 3.653 4.582 1.00 0.72 H new ATOM 0 HA THR A 142 -15.380 6.258 5.871 1.00 0.83 H new ATOM 0 HB THR A 142 -13.609 3.808 6.180 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.698 3.167 6.741 1.00 0.81 H new ATOM 0 HG21 THR A 142 -13.123 4.768 8.402 1.00 1.00 H new ATOM 0 HG22 THR A 142 -12.656 5.877 7.091 1.00 1.00 H new ATOM 0 HG23 THR A 142 -14.148 6.171 8.015 1.00 1.00 H new ATOM 2025 N ALA A 143 -12.997 5.082 3.893 1.00 0.97 N ATOM 2026 CA ALA A 143 -11.869 5.457 3.047 1.00 1.19 C ATOM 2027 C ALA A 143 -12.285 6.415 1.938 1.00 1.05 C ATOM 2028 O ALA A 143 -11.757 7.520 1.827 1.00 1.28 O ATOM 2029 CB ALA A 143 -11.234 4.212 2.450 1.00 1.42 C ATOM 0 H ALA A 143 -13.220 4.087 3.874 1.00 0.97 H new ATOM 0 HA ALA A 143 -11.142 5.975 3.673 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -10.393 4.499 1.820 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.882 3.563 3.252 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -11.972 3.679 1.850 1.00 1.42 H new ATOM 2035 N CYS A 144 -13.254 5.996 1.131 1.00 0.87 N ATOM 2036 CA CYS A 144 -13.683 6.773 -0.027 1.00 0.96 C ATOM 2037 C CYS A 144 -14.649 7.888 0.381 1.00 0.91 C ATOM 2038 O CYS A 144 -15.306 8.493 -0.468 1.00 1.26 O ATOM 2039 CB CYS A 144 -14.351 5.857 -1.056 1.00 1.28 C ATOM 2040 SG CYS A 144 -13.412 4.335 -1.433 1.00 1.45 S ATOM 0 H CYS A 144 -13.759 5.119 1.258 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.800 7.233 -0.470 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -15.339 5.579 -0.689 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -14.500 6.416 -1.980 1.00 1.28 H new ATOM 2045 N LYS A 145 -14.718 8.164 1.680 1.00 1.09 N ATOM 2046 CA LYS A 145 -15.601 9.197 2.210 1.00 1.29 C ATOM 2047 C LYS A 145 -15.237 10.563 1.639 1.00 1.29 C ATOM 2048 O LYS A 145 -16.098 11.281 1.131 1.00 2.01 O ATOM 2049 CB LYS A 145 -15.510 9.221 3.737 1.00 1.65 C ATOM 2050 CG LYS A 145 -16.370 10.281 4.404 1.00 2.35 C ATOM 2051 CD LYS A 145 -16.208 10.245 5.913 1.00 3.18 C ATOM 2052 CE LYS A 145 -14.759 10.467 6.317 1.00 4.04 C ATOM 2053 NZ LYS A 145 -14.544 10.247 7.767 1.00 4.87 N ATOM 0 H LYS A 145 -14.167 7.681 2.390 1.00 1.09 H new ATOM 0 HA LYS A 145 -16.625 8.966 1.915 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -15.799 8.243 4.121 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -14.471 9.381 4.024 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -16.094 11.267 4.029 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -17.416 10.122 4.143 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -16.836 11.011 6.367 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -16.551 9.284 6.295 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -14.118 9.793 5.750 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -14.462 11.483 6.057 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -13.574 9.908 7.927 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -14.687 11.141 8.279 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -15.220 9.538 8.115 1.00 4.87 H new ATOM 2067 N ASN A 146 -13.956 10.905 1.710 1.00 1.10 N ATOM 2068 CA ASN A 146 -13.471 12.171 1.173 1.00 1.21 C ATOM 2069 C ASN A 146 -11.969 12.093 0.930 1.00 1.25 C ATOM 2070 O ASN A 146 -11.184 11.896 1.855 1.00 1.88 O ATOM 2071 CB ASN A 146 -13.813 13.367 2.091 1.00 1.56 C ATOM 2072 CG ASN A 146 -13.075 13.382 3.428 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -12.916 12.224 4.049 1.00 2.76 O flip ATOM 2074 ND2 ASN A 146 -12.678 14.443 3.914 1.00 2.97 N flip ATOM 0 H ASN A 146 -13.234 10.323 2.134 1.00 1.10 H new ATOM 0 HA ASN A 146 -13.981 12.343 0.225 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -13.589 14.291 1.558 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -14.886 13.363 2.285 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -12.816 15.318 3.409 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -12.211 14.445 4.821 1.00 2.97 H new ATOM 2081 N THR A 147 -11.575 12.207 -0.324 1.00 1.03 N ATOM 2082 CA THR A 147 -10.169 12.158 -0.677 1.00 1.07 C ATOM 2083 C THR A 147 -9.837 13.185 -1.758 1.00 1.14 C ATOM 2084 O THR A 147 -9.331 14.267 -1.456 1.00 2.01 O ATOM 2085 CB THR A 147 -9.755 10.747 -1.146 1.00 1.20 C ATOM 2086 OG1 THR A 147 -10.737 10.217 -2.048 1.00 1.79 O ATOM 2087 CG2 THR A 147 -9.574 9.797 0.029 1.00 1.52 C ATOM 0 H THR A 147 -12.207 12.334 -1.114 1.00 1.03 H new ATOM 0 HA THR A 147 -9.603 12.402 0.222 1.00 1.07 H new ATOM 0 HB THR A 147 -8.798 10.838 -1.660 1.00 1.20 H new ATOM 0 HG1 THR A 147 -10.426 9.358 -2.402 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.283 8.814 -0.340 1.00 1.52 H new ATOM 0 HG22 THR A 147 -8.798 10.181 0.691 1.00 1.52 H new ATOM 0 HG23 THR A 147 -10.512 9.715 0.579 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.136 12.841 -3.008 1.00 0.94 N ATOM 2096 CA ASP A 148 -9.890 13.716 -4.159 1.00 1.01 C ATOM 2097 C ASP A 148 -8.418 14.112 -4.258 1.00 0.89 C ATOM 2098 O ASP A 148 -7.607 13.363 -4.789 1.00 0.88 O ATOM 2099 CB ASP A 148 -10.782 14.963 -4.115 1.00 1.33 C ATOM 2100 CG ASP A 148 -12.250 14.624 -4.260 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -12.696 14.364 -5.398 1.00 2.20 O ATOM 2102 OD2 ASP A 148 -12.966 14.613 -3.237 1.00 2.54 O ATOM 0 H ASP A 148 -10.557 11.946 -3.256 1.00 0.94 H new ATOM 0 HA ASP A 148 -10.146 13.148 -5.053 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -10.624 15.487 -3.173 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -10.488 15.645 -4.913 1.00 1.33 H new ATOM 2107 N SER A 149 -8.064 15.270 -3.717 1.00 0.95 N ATOM 2108 CA SER A 149 -6.681 15.718 -3.743 1.00 1.01 C ATOM 2109 C SER A 149 -5.884 15.052 -2.624 1.00 0.85 C ATOM 2110 O SER A 149 -4.655 15.012 -2.650 1.00 1.07 O ATOM 2111 CB SER A 149 -6.617 17.239 -3.619 1.00 1.27 C ATOM 2112 OG SER A 149 -7.376 17.853 -4.646 1.00 1.53 O ATOM 0 H SER A 149 -8.711 15.911 -3.258 1.00 0.95 H new ATOM 0 HA SER A 149 -6.237 15.430 -4.696 1.00 1.01 H new ATOM 0 HB2 SER A 149 -6.997 17.547 -2.645 1.00 1.27 H new ATOM 0 HB3 SER A 149 -5.580 17.571 -3.677 1.00 1.27 H new ATOM 0 HG SER A 149 -7.326 18.827 -4.552 1.00 1.53 H new ATOM 2118 N THR A 150 -6.598 14.522 -1.641 1.00 0.63 N ATOM 2119 CA THR A 150 -5.974 13.765 -0.571 1.00 0.67 C ATOM 2120 C THR A 150 -6.127 12.271 -0.840 1.00 0.56 C ATOM 2121 O THR A 150 -5.977 11.438 0.057 1.00 0.64 O ATOM 2122 CB THR A 150 -6.573 14.122 0.810 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.992 13.944 0.811 1.00 1.15 O ATOM 2124 CG2 THR A 150 -6.246 15.558 1.188 1.00 1.26 C ATOM 0 H THR A 150 -7.612 14.604 -1.564 1.00 0.63 H new ATOM 0 HA THR A 150 -4.916 14.027 -0.547 1.00 0.67 H new ATOM 0 HB THR A 150 -6.128 13.450 1.544 1.00 0.92 H new ATOM 0 HG1 THR A 150 -8.382 14.418 0.047 1.00 1.15 H new ATOM 0 HG21 THR A 150 -6.678 15.785 2.163 1.00 1.26 H new ATOM 0 HG22 THR A 150 -5.164 15.685 1.232 1.00 1.26 H new ATOM 0 HG23 THR A 150 -6.661 16.234 0.441 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.375 11.943 -2.103 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.615 10.567 -2.517 1.00 0.47 C ATOM 2134 C ASN A 151 -5.301 9.869 -2.872 1.00 0.44 C ATOM 2135 O ASN A 151 -4.929 9.767 -4.038 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.576 10.555 -3.715 1.00 0.57 C ATOM 2137 CG ASN A 151 -8.235 9.211 -3.946 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -8.366 8.401 -3.032 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.702 8.990 -5.165 1.00 0.79 N ATOM 0 H ASN A 151 -6.415 12.620 -2.865 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.068 10.021 -1.689 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.349 11.308 -3.559 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -7.029 10.842 -4.613 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -9.192 8.120 -5.373 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -8.572 9.690 -5.896 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.570 9.445 -1.848 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.335 8.690 -2.039 1.00 0.41 C ATOM 2148 C LYS A 152 -3.159 7.679 -0.911 1.00 0.39 C ATOM 2149 O LYS A 152 -3.057 8.045 0.262 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.097 9.610 -2.138 1.00 0.48 C ATOM 2151 CG LYS A 152 -1.936 10.627 -1.006 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.906 11.791 -1.135 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.693 12.851 -0.061 1.00 0.82 C ATOM 2154 NZ LYS A 152 -1.466 13.655 -0.291 1.00 1.35 N ATOM 0 H LYS A 152 -4.812 9.612 -0.871 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.418 8.161 -2.988 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.204 8.985 -2.171 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -2.143 10.150 -3.084 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -2.093 10.130 -0.049 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -0.914 11.007 -1.004 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -2.792 12.247 -2.118 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -3.928 11.417 -1.074 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -3.558 13.514 -0.033 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -2.630 12.368 0.914 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -0.795 13.494 0.487 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -1.028 13.371 -1.191 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -1.714 14.664 -0.330 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.129 6.406 -1.268 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.089 5.343 -0.288 1.00 0.37 C ATOM 2170 C VAL A 153 -1.776 4.555 -0.331 1.00 0.35 C ATOM 2171 O VAL A 153 -1.490 3.832 -1.287 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.278 4.376 -0.471 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -5.569 5.012 0.008 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.424 3.945 -1.922 1.00 1.32 C ATOM 0 H VAL A 153 -3.132 6.086 -2.237 1.00 0.36 H new ATOM 0 HA VAL A 153 -3.159 5.824 0.688 1.00 0.37 H new ATOM 0 HB VAL A 153 -4.073 3.492 0.132 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -6.393 4.312 -0.131 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.481 5.263 1.065 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -5.763 5.919 -0.565 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.270 3.265 -2.016 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -4.592 4.822 -2.547 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -3.514 3.439 -2.245 1.00 1.32 H new ATOM 2184 N THR A 154 -0.951 4.751 0.684 1.00 0.35 N ATOM 2185 CA THR A 154 0.169 3.859 0.934 1.00 0.38 C ATOM 2186 C THR A 154 -0.320 2.576 1.626 1.00 0.37 C ATOM 2187 O THR A 154 -0.972 2.648 2.671 1.00 0.47 O ATOM 2188 CB THR A 154 1.203 4.551 1.846 1.00 0.52 C ATOM 2189 OG1 THR A 154 0.836 4.411 3.225 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.294 6.035 1.538 1.00 0.96 C ATOM 0 H THR A 154 -1.036 5.520 1.349 1.00 0.35 H new ATOM 0 HA THR A 154 0.629 3.608 -0.022 1.00 0.38 H new ATOM 0 HB THR A 154 2.164 4.072 1.660 1.00 0.52 H new ATOM 0 HG1 THR A 154 -0.067 4.036 3.287 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.030 6.499 2.195 1.00 0.96 H new ATOM 0 HG22 THR A 154 1.596 6.173 0.500 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.321 6.500 1.698 1.00 0.96 H new ATOM 2198 N TYR A 155 -0.041 1.401 1.060 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.453 0.162 1.722 1.00 0.38 C ATOM 2200 C TYR A 155 0.535 -0.985 1.510 1.00 0.38 C ATOM 2201 O TYR A 155 0.866 -1.344 0.385 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.870 -0.242 1.285 1.00 0.41 C ATOM 2203 CG TYR A 155 -2.047 -0.503 -0.197 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -1.959 0.539 -1.112 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -2.275 -1.784 -0.686 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.097 0.315 -2.466 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -2.412 -2.017 -2.040 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.425 -0.998 -2.907 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.467 -1.191 -4.273 1.00 0.79 O ATOM 0 H TYR A 155 0.452 1.281 0.175 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.460 0.366 2.793 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -2.157 -1.141 1.831 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.562 0.546 1.582 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -1.779 1.543 -0.756 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -2.346 -2.611 0.005 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -1.959 1.118 -3.175 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -2.509 -3.030 -2.402 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.699 -2.124 -4.465 1.00 0.79 H new ATOM 2219 N PHE A 156 0.992 -1.561 2.615 1.00 0.41 N ATOM 2220 CA PHE A 156 1.918 -2.685 2.572 1.00 0.44 C ATOM 2221 C PHE A 156 1.171 -3.984 2.309 1.00 0.46 C ATOM 2222 O PHE A 156 0.277 -4.369 3.062 1.00 0.46 O ATOM 2223 CB PHE A 156 2.701 -2.801 3.881 1.00 0.44 C ATOM 2224 CG PHE A 156 3.788 -1.777 4.039 1.00 0.45 C ATOM 2225 CD1 PHE A 156 5.067 -2.028 3.574 1.00 0.55 C ATOM 2226 CD2 PHE A 156 3.524 -0.561 4.646 1.00 0.53 C ATOM 2227 CE1 PHE A 156 6.063 -1.084 3.715 1.00 0.62 C ATOM 2228 CE2 PHE A 156 4.517 0.386 4.791 1.00 0.61 C ATOM 2229 CZ PHE A 156 5.808 0.103 4.337 1.00 0.62 C ATOM 0 H PHE A 156 0.734 -1.266 3.557 1.00 0.41 H new ATOM 0 HA PHE A 156 2.620 -2.504 1.758 1.00 0.44 H new ATOM 0 HB2 PHE A 156 2.007 -2.710 4.716 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.142 -3.796 3.941 1.00 0.44 H new ATOM 0 HD1 PHE A 156 5.287 -2.971 3.096 1.00 0.55 H new ATOM 0 HD2 PHE A 156 2.529 -0.351 5.010 1.00 0.53 H new ATOM 0 HE1 PHE A 156 7.052 -1.286 3.330 1.00 0.62 H new ATOM 0 HE2 PHE A 156 4.298 1.338 5.252 1.00 0.61 H new ATOM 0 HZ PHE A 156 6.601 0.822 4.478 1.00 0.62 H new ATOM 2239 N MET A 157 1.565 -4.676 1.262 1.00 0.59 N ATOM 2240 CA MET A 157 0.863 -5.869 0.834 1.00 0.68 C ATOM 2241 C MET A 157 1.846 -6.975 0.478 1.00 0.82 C ATOM 2242 O MET A 157 2.654 -6.824 -0.436 1.00 1.12 O ATOM 2243 CB MET A 157 -0.025 -5.535 -0.372 1.00 0.83 C ATOM 2244 CG MET A 157 -0.541 -6.746 -1.134 1.00 1.47 C ATOM 2245 SD MET A 157 -1.790 -7.681 -0.234 1.00 2.50 S ATOM 2246 CE MET A 157 -1.986 -9.096 -1.315 1.00 3.27 C ATOM 0 H MET A 157 2.372 -4.432 0.688 1.00 0.59 H new ATOM 0 HA MET A 157 0.239 -6.225 1.654 1.00 0.68 H new ATOM 0 HB2 MET A 157 -0.877 -4.949 -0.028 1.00 0.83 H new ATOM 0 HB3 MET A 157 0.540 -4.904 -1.058 1.00 0.83 H new ATOM 0 HG2 MET A 157 -0.960 -6.416 -2.085 1.00 1.47 H new ATOM 0 HG3 MET A 157 0.297 -7.404 -1.366 1.00 1.47 H new ATOM 0 HE1 MET A 157 -3.027 -9.419 -1.306 1.00 3.27 H new ATOM 0 HE2 MET A 157 -1.701 -8.821 -2.330 1.00 3.27 H new ATOM 0 HE3 MET A 157 -1.350 -9.910 -0.968 1.00 3.27 H new ATOM 2256 N LYS A 158 1.811 -8.062 1.238 1.00 0.75 N ATOM 2257 CA LYS A 158 2.551 -9.255 0.860 1.00 0.96 C ATOM 2258 C LYS A 158 1.735 -10.060 -0.141 1.00 1.43 C ATOM 2259 O LYS A 158 0.665 -10.569 0.248 1.00 1.89 O ATOM 2260 CB LYS A 158 2.890 -10.119 2.076 1.00 0.95 C ATOM 2261 CG LYS A 158 3.609 -11.405 1.702 1.00 1.11 C ATOM 2262 CD LYS A 158 3.746 -12.349 2.883 1.00 1.49 C ATOM 2263 CE LYS A 158 4.653 -11.780 3.958 1.00 1.88 C ATOM 2264 NZ LYS A 158 4.753 -12.688 5.127 1.00 2.24 N ATOM 2265 OXT LYS A 158 2.170 -10.176 -1.301 1.00 2.11 O ATOM 0 H LYS A 158 1.285 -8.141 2.108 1.00 0.75 H new ATOM 0 HA LYS A 158 3.492 -8.943 0.406 1.00 0.96 H new ATOM 0 HB2 LYS A 158 3.514 -9.545 2.761 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.972 -10.363 2.610 1.00 0.95 H new ATOM 0 HG2 LYS A 158 3.064 -11.904 0.901 1.00 1.11 H new ATOM 0 HG3 LYS A 158 4.599 -11.166 1.313 1.00 1.11 H new ATOM 0 HD2 LYS A 158 2.761 -12.547 3.306 1.00 1.49 H new ATOM 0 HD3 LYS A 158 4.144 -13.304 2.540 1.00 1.49 H new ATOM 0 HE2 LYS A 158 5.647 -11.609 3.543 1.00 1.88 H new ATOM 0 HE3 LYS A 158 4.272 -10.811 4.281 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 5.381 -12.267 5.841 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 3.808 -12.831 5.537 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 5.140 -13.604 4.823 1.00 2.24 H new TER 2279 LYS A 158