USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 592 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: B 111 LYS NZ :NH3+ 174:sc= 1.24 (180deg=-0.0105) USER MOD Set 1.2: B 126 THR OG1 : rot 79:sc= 2.12 USER MOD Set 2.1: B 120 HIS : +bothHN:sc= 0.674 K(o=1.2,f=-9.5!) USER MOD Set 2.2: B 123 GLN : amide:sc= 0.486 K(o=1.2,f=-0.076) USER MOD Set 3.1: A 120 HIS : +bothHN:sc= 0.702 K(o=1.1,f=-9!) USER MOD Set 3.2: A 123 GLN : amide:sc= 0.429 K(o=1.1,f=0.13) USER MOD Set 4.1: A 111 LYS NZ :NH3+ 170:sc= 1.24 (180deg=-0.0042) USER MOD Set 4.2: A 126 THR OG1 : rot 79:sc= 2.14 USER MOD Single : A 101 ASN :FLIP amide:sc= -0.244 F(o=-0.78!,f=-0.24) USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= -0.0227 (180deg=-0.184) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.417 USER MOD Single : A 108 MET CE :methyl 140:sc= -0.429 (180deg=-1.75) USER MOD Single : A 113 SER OG : rot 83:sc= 0.853 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 149:sc= -9.35! (180deg=-9.69!) USER MOD Single : A 131 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.403) USER MOD Single : A 133 GLN : amide:sc= -1.37! C(o=-1.4!,f=-6.1!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 ASN : amide:sc= -0.663! X(o=-0.66!,f=-0.22) USER MOD Single : B 102 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.167) USER MOD Single : B 103 TYR OH : rot 130:sc= -0.39 USER MOD Single : B 108 MET CE :methyl 138:sc= -0.43 (180deg=-1.83) USER MOD Single : B 113 SER OG : rot 84:sc= 0.815 USER MOD Single : B 117 SER OG : rot -21:sc= 0.0787 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl 165:sc= -9.41! (180deg=-9.56!) USER MOD Single : B 131 LYS NZ :NH3+ -157:sc= 1.02 (180deg=0.566) USER MOD Single : B 133 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.2!) USER MOD Single : B 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -14.454 6.024 -6.286 1.00 4.97 N ATOM 2 CA PRO A 99 -15.088 6.808 -5.233 1.00 4.83 C ATOM 3 C PRO A 99 -14.624 6.373 -3.848 1.00 4.33 C ATOM 4 O PRO A 99 -14.603 5.183 -3.521 1.00 4.07 O ATOM 5 CB PRO A 99 -16.583 6.539 -5.418 1.00 5.14 C ATOM 6 CG PRO A 99 -16.659 5.234 -6.125 1.00 5.27 C ATOM 7 CD PRO A 99 -15.403 5.111 -6.942 1.00 5.29 C ATOM 0 HA PRO A 99 -14.836 7.866 -5.302 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -17.097 6.497 -4.458 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -17.057 7.330 -5.999 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -16.740 4.412 -5.413 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -17.542 5.191 -6.763 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -15.031 4.087 -6.948 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -15.574 5.394 -7.981 1.00 5.29 H new ATOM 15 N GLU A 100 -14.271 7.364 -3.050 1.00 4.31 N ATOM 16 CA GLU A 100 -13.675 7.168 -1.736 1.00 4.02 C ATOM 17 C GLU A 100 -14.590 6.357 -0.815 1.00 3.83 C ATOM 18 O GLU A 100 -14.115 5.598 0.032 1.00 3.64 O ATOM 19 CB GLU A 100 -13.384 8.543 -1.134 1.00 4.28 C ATOM 20 CG GLU A 100 -12.539 8.524 0.124 1.00 4.51 C ATOM 21 CD GLU A 100 -12.272 9.922 0.640 1.00 4.77 C ATOM 22 OE1 GLU A 100 -13.056 10.406 1.485 1.00 4.99 O ATOM 23 OE2 GLU A 100 -11.295 10.552 0.183 1.00 5.13 O ATOM 0 H GLU A 100 -14.391 8.346 -3.299 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.752 6.598 -1.841 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -12.879 9.152 -1.884 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -14.331 9.033 -0.910 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -13.046 7.942 0.894 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -11.592 8.025 -0.081 1.00 4.51 H new ATOM 30 N ASN A 101 -15.897 6.517 -1.004 1.00 4.05 N ATOM 31 CA ASN A 101 -16.872 5.831 -0.161 1.00 4.10 C ATOM 32 C ASN A 101 -16.733 4.318 -0.270 1.00 3.98 C ATOM 33 O ASN A 101 -16.885 3.606 0.719 1.00 4.07 O ATOM 34 CB ASN A 101 -18.299 6.258 -0.529 1.00 4.55 C ATOM 35 CG ASN A 101 -19.313 6.015 0.585 1.00 4.76 C ATOM 36 OD1 ASN A 101 -19.107 4.982 1.389 1.00 5.19 O flip ATOM 37 ND2 ASN A 101 -20.282 6.761 0.717 1.00 4.68 N flip ATOM 0 H ASN A 101 -16.303 7.111 -1.727 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.673 6.116 0.872 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.298 7.318 -0.784 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.614 5.716 -1.421 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -20.411 7.547 0.080 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -20.957 6.593 1.463 1.00 4.68 H new ATOM 44 N LYS A 102 -16.417 3.829 -1.456 1.00 3.93 N ATOM 45 CA LYS A 102 -16.311 2.399 -1.669 1.00 3.87 C ATOM 46 C LYS A 102 -14.854 1.971 -1.694 1.00 3.43 C ATOM 47 O LYS A 102 -14.536 0.793 -1.560 1.00 3.32 O ATOM 48 CB LYS A 102 -17.047 2.022 -2.962 1.00 4.20 C ATOM 49 CG LYS A 102 -16.373 2.468 -4.257 1.00 4.62 C ATOM 50 CD LYS A 102 -15.292 1.499 -4.728 1.00 5.18 C ATOM 51 CE LYS A 102 -15.850 0.114 -5.017 1.00 5.68 C ATOM 52 NZ LYS A 102 -16.919 0.147 -6.048 1.00 6.27 N ATOM 0 H LYS A 102 -16.230 4.398 -2.281 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.783 1.867 -0.843 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -17.165 0.939 -2.989 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -18.048 2.451 -2.928 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -17.128 2.570 -5.037 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -15.931 3.454 -4.110 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -14.819 1.894 -5.627 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -14.516 1.425 -3.966 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -15.044 -0.539 -5.352 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -16.247 -0.316 -4.097 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -17.141 -0.823 -6.349 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -17.772 0.589 -5.650 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -16.594 0.698 -6.868 1.00 6.27 H new ATOM 66 N TYR A 103 -13.976 2.938 -1.893 1.00 3.24 N ATOM 67 CA TYR A 103 -12.541 2.727 -1.850 1.00 2.85 C ATOM 68 C TYR A 103 -12.095 2.266 -0.457 1.00 2.57 C ATOM 69 O TYR A 103 -11.142 1.495 -0.323 1.00 2.28 O ATOM 70 CB TYR A 103 -11.861 4.043 -2.243 1.00 2.82 C ATOM 71 CG TYR A 103 -10.353 4.036 -2.219 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.625 3.220 -3.070 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.661 4.877 -1.362 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.245 3.241 -3.066 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.283 4.904 -1.345 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.576 4.082 -2.202 1.00 2.31 C ATOM 77 OH TYR A 103 -6.201 4.110 -2.208 1.00 2.31 O ATOM 0 H TYR A 103 -14.243 3.902 -2.091 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.256 1.939 -2.547 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.188 4.313 -3.247 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.213 4.826 -1.571 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.145 2.558 -3.746 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.212 5.523 -0.695 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.691 2.601 -3.737 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.760 5.562 -0.667 1.00 2.65 H new ATOM 0 HH TYR A 103 -5.893 5.038 -2.269 1.00 2.31 H new ATOM 87 N LEU A 104 -12.807 2.724 0.572 1.00 2.70 N ATOM 88 CA LEU A 104 -12.473 2.419 1.959 1.00 2.55 C ATOM 89 C LEU A 104 -12.607 0.921 2.280 1.00 2.53 C ATOM 90 O LEU A 104 -11.644 0.307 2.745 1.00 2.25 O ATOM 91 CB LEU A 104 -13.356 3.252 2.896 1.00 2.85 C ATOM 92 CG LEU A 104 -13.178 2.982 4.392 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.760 3.302 4.831 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.182 3.794 5.194 1.00 3.18 C ATOM 0 H LEU A 104 -13.631 3.316 0.466 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.426 2.679 2.113 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.156 4.307 2.710 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.399 3.074 2.635 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.358 1.923 4.577 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.656 3.103 5.898 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.058 2.680 4.275 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.547 4.353 4.636 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.046 3.594 6.257 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.027 4.856 5.002 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.194 3.516 4.899 1.00 3.18 H new ATOM 106 N PRO A 105 -13.788 0.299 2.049 1.00 2.88 N ATOM 107 CA PRO A 105 -13.993 -1.125 2.356 1.00 2.95 C ATOM 108 C PRO A 105 -13.056 -2.027 1.561 1.00 2.65 C ATOM 109 O PRO A 105 -12.667 -3.099 2.025 1.00 2.62 O ATOM 110 CB PRO A 105 -15.451 -1.378 1.965 1.00 3.43 C ATOM 111 CG PRO A 105 -15.754 -0.299 0.987 1.00 3.51 C ATOM 112 CD PRO A 105 -15.013 0.899 1.493 1.00 3.28 C ATOM 0 HA PRO A 105 -13.782 -1.349 3.402 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.580 -2.366 1.522 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.111 -1.328 2.831 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.426 -0.572 -0.016 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.825 -0.106 0.931 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.792 1.608 0.695 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.581 1.439 2.250 1.00 3.28 H new ATOM 120 N GLU A 106 -12.696 -1.596 0.362 1.00 2.53 N ATOM 121 CA GLU A 106 -11.737 -2.331 -0.440 1.00 2.35 C ATOM 122 C GLU A 106 -10.396 -2.400 0.277 1.00 1.89 C ATOM 123 O GLU A 106 -9.769 -3.457 0.348 1.00 1.84 O ATOM 124 CB GLU A 106 -11.544 -1.658 -1.794 1.00 2.43 C ATOM 125 CG GLU A 106 -12.812 -1.572 -2.624 1.00 2.88 C ATOM 126 CD GLU A 106 -12.532 -1.583 -4.113 1.00 3.32 C ATOM 127 OE1 GLU A 106 -12.078 -0.546 -4.651 1.00 3.62 O ATOM 128 OE2 GLU A 106 -12.758 -2.628 -4.758 1.00 3.70 O ATOM 0 H GLU A 106 -13.053 -0.745 -0.073 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.123 -3.339 -0.592 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.155 -0.652 -1.637 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.789 -2.207 -2.357 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.464 -2.409 -2.374 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.351 -0.660 -2.365 1.00 2.88 H new ATOM 135 N LEU A 107 -9.982 -1.262 0.821 1.00 1.63 N ATOM 136 CA LEU A 107 -8.715 -1.173 1.531 1.00 1.23 C ATOM 137 C LEU A 107 -8.725 -2.059 2.767 1.00 1.08 C ATOM 138 O LEU A 107 -7.780 -2.796 3.009 1.00 0.96 O ATOM 139 CB LEU A 107 -8.437 0.263 1.959 1.00 1.21 C ATOM 140 CG LEU A 107 -8.216 1.255 0.828 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.190 2.662 1.378 1.00 1.42 C ATOM 142 CD2 LEU A 107 -6.917 0.959 0.108 1.00 1.20 C ATOM 0 H LEU A 107 -10.507 -0.388 0.783 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.933 -1.509 0.850 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.274 0.611 2.565 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.555 0.268 2.600 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.037 1.161 0.117 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.031 3.368 0.563 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.140 2.879 1.867 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.380 2.755 2.102 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.776 1.679 -0.698 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.087 1.033 0.810 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -6.952 -0.048 -0.307 1.00 1.20 H new ATOM 154 N MET A 108 -9.812 -1.995 3.529 1.00 1.27 N ATOM 155 CA MET A 108 -9.927 -2.778 4.755 1.00 1.26 C ATOM 156 C MET A 108 -9.932 -4.275 4.457 1.00 1.17 C ATOM 157 O MET A 108 -9.362 -5.060 5.209 1.00 1.13 O ATOM 158 CB MET A 108 -11.178 -2.384 5.555 1.00 1.64 C ATOM 159 CG MET A 108 -12.501 -2.812 4.951 1.00 1.96 C ATOM 160 SD MET A 108 -13.909 -2.347 5.975 1.00 2.39 S ATOM 161 CE MET A 108 -13.698 -0.569 6.067 1.00 2.67 C ATOM 0 H MET A 108 -10.623 -1.412 3.321 1.00 1.27 H new ATOM 0 HA MET A 108 -9.051 -2.556 5.365 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.099 -2.813 6.554 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.186 -1.300 5.673 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.609 -2.362 3.964 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.500 -3.893 4.810 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.671 -0.083 5.992 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.234 -0.306 7.018 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.061 -0.235 5.248 1.00 2.67 H new ATOM 171 N ALA A 109 -10.556 -4.667 3.353 1.00 1.27 N ATOM 172 CA ALA A 109 -10.612 -6.077 2.985 1.00 1.30 C ATOM 173 C ALA A 109 -9.237 -6.594 2.566 1.00 0.99 C ATOM 174 O ALA A 109 -8.811 -7.669 2.995 1.00 1.01 O ATOM 175 CB ALA A 109 -11.641 -6.304 1.887 1.00 1.60 C ATOM 0 H ALA A 109 -11.026 -4.037 2.703 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.922 -6.643 3.863 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.668 -7.362 1.626 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.624 -5.992 2.240 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.369 -5.720 1.007 1.00 1.60 H new ATOM 181 N GLU A 110 -8.548 -5.826 1.731 1.00 0.80 N ATOM 182 CA GLU A 110 -7.195 -6.196 1.320 1.00 0.62 C ATOM 183 C GLU A 110 -6.260 -6.133 2.532 1.00 0.45 C ATOM 184 O GLU A 110 -5.392 -6.977 2.714 1.00 0.55 O ATOM 185 CB GLU A 110 -6.688 -5.270 0.215 1.00 0.56 C ATOM 186 CG GLU A 110 -7.482 -5.361 -1.080 1.00 0.60 C ATOM 187 CD GLU A 110 -6.919 -4.465 -2.166 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.699 -3.952 -2.998 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.691 -4.263 -2.192 1.00 1.48 O ATOM 0 H GLU A 110 -8.895 -4.955 1.329 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.213 -7.212 0.926 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.716 -4.242 0.575 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.644 -5.506 0.007 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.485 -6.393 -1.430 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.519 -5.087 -0.887 1.00 0.60 H new ATOM 196 N LYS A 111 -6.487 -5.113 3.343 1.00 0.41 N ATOM 197 CA LYS A 111 -5.707 -4.956 4.570 1.00 0.46 C ATOM 198 C LYS A 111 -5.867 -6.175 5.484 1.00 0.47 C ATOM 199 O LYS A 111 -4.889 -6.711 5.997 1.00 0.52 O ATOM 200 CB LYS A 111 -6.114 -3.679 5.311 1.00 0.63 C ATOM 201 CG LYS A 111 -5.683 -3.648 6.768 1.00 0.79 C ATOM 202 CD LYS A 111 -6.134 -2.376 7.457 1.00 0.89 C ATOM 203 CE LYS A 111 -5.939 -2.445 8.962 1.00 1.15 C ATOM 204 NZ LYS A 111 -4.514 -2.648 9.342 1.00 1.89 N ATOM 0 H LYS A 111 -7.190 -4.391 3.183 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.657 -4.876 4.289 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.684 -2.820 4.797 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.197 -3.571 5.261 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.098 -4.511 7.289 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.598 -3.730 6.829 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.576 -1.530 7.057 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.186 -2.197 7.235 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -6.305 -1.524 9.415 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.539 -3.260 9.366 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -4.407 -2.520 10.368 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -4.219 -3.610 9.081 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -3.920 -1.956 8.843 1.00 1.89 H new ATOM 218 N ASP A 112 -7.101 -6.608 5.678 1.00 0.49 N ATOM 219 CA ASP A 112 -7.391 -7.749 6.542 1.00 0.58 C ATOM 220 C ASP A 112 -6.839 -9.055 5.966 1.00 0.53 C ATOM 221 O ASP A 112 -6.427 -9.946 6.707 1.00 0.63 O ATOM 222 CB ASP A 112 -8.902 -7.869 6.746 1.00 0.72 C ATOM 223 CG ASP A 112 -9.289 -9.084 7.562 1.00 2.65 C ATOM 224 OD1 ASP A 112 -9.149 -9.042 8.798 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.752 -10.083 6.968 1.00 3.08 O ATOM 0 H ASP A 112 -7.925 -6.187 5.248 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.899 -7.576 7.499 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.269 -6.971 7.243 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.393 -7.919 5.774 1.00 0.72 H new ATOM 230 N SER A 113 -6.813 -9.152 4.648 1.00 0.44 N ATOM 231 CA SER A 113 -6.456 -10.398 3.984 1.00 0.43 C ATOM 232 C SER A 113 -4.969 -10.469 3.631 1.00 0.35 C ATOM 233 O SER A 113 -4.443 -11.547 3.351 1.00 0.40 O ATOM 234 CB SER A 113 -7.300 -10.549 2.722 1.00 0.44 C ATOM 235 OG SER A 113 -8.683 -10.491 3.029 1.00 0.55 O ATOM 0 H SER A 113 -7.035 -8.384 4.015 1.00 0.44 H new ATOM 0 HA SER A 113 -6.656 -11.215 4.677 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.047 -9.760 2.014 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.070 -11.498 2.237 1.00 0.44 H new ATOM 0 HG SER A 113 -8.966 -9.555 3.090 1.00 0.55 H new ATOM 241 N LEU A 114 -4.299 -9.329 3.647 1.00 0.27 N ATOM 242 CA LEU A 114 -2.905 -9.252 3.230 1.00 0.23 C ATOM 243 C LEU A 114 -1.990 -9.858 4.288 1.00 0.27 C ATOM 244 O LEU A 114 -2.253 -9.752 5.487 1.00 0.31 O ATOM 245 CB LEU A 114 -2.525 -7.799 2.976 1.00 0.17 C ATOM 246 CG LEU A 114 -1.297 -7.581 2.085 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.654 -7.767 0.620 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.719 -6.201 2.305 1.00 0.16 C ATOM 0 H LEU A 114 -4.698 -8.439 3.945 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.784 -9.822 2.309 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.377 -7.294 2.520 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.345 -7.316 3.936 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.547 -8.324 2.357 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.767 -7.607 0.006 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.027 -8.779 0.462 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.424 -7.048 0.339 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.152 -6.065 1.664 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.470 -5.449 2.062 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.422 -6.093 3.348 1.00 0.16 H new ATOM 260 N ASP A 115 -0.930 -10.509 3.831 1.00 0.29 N ATOM 261 CA ASP A 115 0.019 -11.164 4.724 1.00 0.34 C ATOM 262 C ASP A 115 0.882 -10.129 5.439 1.00 0.33 C ATOM 263 O ASP A 115 1.427 -9.220 4.809 1.00 0.29 O ATOM 264 CB ASP A 115 0.908 -12.126 3.932 1.00 0.37 C ATOM 265 CG ASP A 115 1.710 -13.045 4.833 1.00 0.49 C ATOM 266 OD1 ASP A 115 2.668 -12.575 5.476 1.00 1.23 O ATOM 267 OD2 ASP A 115 1.379 -14.248 4.905 1.00 1.21 O ATOM 0 H ASP A 115 -0.703 -10.599 2.841 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.541 -11.728 5.470 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.287 -12.725 3.266 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.589 -11.553 3.303 1.00 0.37 H new ATOM 272 N PRO A 116 1.020 -10.263 6.772 1.00 0.41 N ATOM 273 CA PRO A 116 1.758 -9.306 7.611 1.00 0.46 C ATOM 274 C PRO A 116 3.247 -9.224 7.275 1.00 0.42 C ATOM 275 O PRO A 116 3.922 -8.273 7.677 1.00 0.47 O ATOM 276 CB PRO A 116 1.560 -9.839 9.035 1.00 0.55 C ATOM 277 CG PRO A 116 1.246 -11.280 8.852 1.00 0.55 C ATOM 278 CD PRO A 116 0.455 -11.361 7.579 1.00 0.50 C ATOM 0 HA PRO A 116 1.389 -8.291 7.462 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.457 -9.702 9.639 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.750 -9.318 9.545 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.157 -11.875 8.786 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.673 -11.667 9.695 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.576 -12.327 7.089 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.612 -11.225 7.756 1.00 0.50 H new ATOM 286 N SER A 117 3.760 -10.217 6.550 1.00 0.36 N ATOM 287 CA SER A 117 5.167 -10.231 6.164 1.00 0.37 C ATOM 288 C SER A 117 5.494 -9.040 5.261 1.00 0.38 C ATOM 289 O SER A 117 6.656 -8.648 5.121 1.00 0.56 O ATOM 290 CB SER A 117 5.526 -11.543 5.459 1.00 0.37 C ATOM 291 OG SER A 117 6.913 -11.604 5.160 1.00 1.30 O ATOM 0 H SER A 117 3.223 -11.019 6.220 1.00 0.36 H new ATOM 0 HA SER A 117 5.764 -10.152 7.073 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.251 -12.386 6.093 1.00 0.37 H new ATOM 0 HB3 SER A 117 4.949 -11.634 4.539 1.00 0.37 H new ATOM 0 HG SER A 117 7.114 -12.452 4.712 1.00 1.30 H new ATOM 297 N PHE A 118 4.468 -8.466 4.651 1.00 0.28 N ATOM 298 CA PHE A 118 4.636 -7.274 3.839 1.00 0.32 C ATOM 299 C PHE A 118 4.359 -6.045 4.688 1.00 0.44 C ATOM 300 O PHE A 118 3.248 -5.516 4.700 1.00 0.94 O ATOM 301 CB PHE A 118 3.700 -7.306 2.636 1.00 0.27 C ATOM 302 CG PHE A 118 3.863 -8.528 1.788 1.00 0.23 C ATOM 303 CD1 PHE A 118 3.239 -9.715 2.135 1.00 1.22 C ATOM 304 CD2 PHE A 118 4.637 -8.494 0.643 1.00 1.21 C ATOM 305 CE1 PHE A 118 3.383 -10.842 1.355 1.00 1.21 C ATOM 306 CE2 PHE A 118 4.784 -9.617 -0.141 1.00 1.23 C ATOM 307 CZ PHE A 118 4.156 -10.795 0.214 1.00 0.28 C ATOM 0 H PHE A 118 3.509 -8.809 4.704 1.00 0.28 H new ATOM 0 HA PHE A 118 5.661 -7.237 3.469 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.669 -7.250 2.986 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.877 -6.422 2.024 1.00 0.27 H new ATOM 0 HD1 PHE A 118 2.632 -9.758 3.028 1.00 1.22 H new ATOM 0 HD2 PHE A 118 5.132 -7.577 0.360 1.00 1.21 H new ATOM 0 HE1 PHE A 118 2.891 -11.761 1.637 1.00 1.21 H new ATOM 0 HE2 PHE A 118 5.391 -9.576 -1.034 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.270 -11.676 -0.400 1.00 0.28 H new ATOM 317 N THR A 119 5.384 -5.605 5.402 1.00 0.39 N ATOM 318 CA THR A 119 5.264 -4.510 6.346 1.00 0.39 C ATOM 319 C THR A 119 4.716 -3.248 5.694 1.00 0.42 C ATOM 320 O THR A 119 3.707 -2.707 6.136 1.00 0.45 O ATOM 321 CB THR A 119 6.626 -4.182 6.979 1.00 0.44 C ATOM 322 OG1 THR A 119 7.193 -5.371 7.544 1.00 0.48 O ATOM 323 CG2 THR A 119 6.474 -3.111 8.049 1.00 0.45 C ATOM 0 H THR A 119 6.323 -5.999 5.341 1.00 0.39 H new ATOM 0 HA THR A 119 4.564 -4.841 7.113 1.00 0.39 H new ATOM 0 HB THR A 119 7.292 -3.800 6.205 1.00 0.44 H new ATOM 0 HG1 THR A 119 8.062 -5.160 7.945 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.448 -2.892 8.486 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.065 -2.205 7.602 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.799 -3.468 8.827 1.00 0.45 H new ATOM 331 N HIS A 120 5.384 -2.784 4.651 1.00 0.44 N ATOM 332 CA HIS A 120 5.028 -1.524 4.025 1.00 0.51 C ATOM 333 C HIS A 120 3.709 -1.627 3.275 1.00 0.47 C ATOM 334 O HIS A 120 2.913 -0.694 3.295 1.00 0.57 O ATOM 335 CB HIS A 120 6.147 -1.046 3.107 1.00 0.60 C ATOM 336 CG HIS A 120 7.398 -0.701 3.854 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.431 0.213 4.889 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.659 -1.177 3.735 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.660 0.279 5.373 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.421 -0.552 4.692 1.00 1.47 N ATOM 0 H HIS A 120 6.176 -3.262 4.221 1.00 0.44 H new ATOM 0 HA HIS A 120 4.895 -0.784 4.814 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.368 -1.823 2.375 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.807 -0.172 2.551 1.00 0.60 H new ATOM 0 HD1 HIS A 120 6.634 0.752 5.227 1.00 1.09 H new ATOM 0 HD2 HIS A 120 9.002 -1.911 3.021 1.00 1.19 H new ATOM 0 HE1 HIS A 120 8.984 0.908 6.189 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.417 -0.707 4.850 1.00 1.47 H new ATOM 349 N ALA A 121 3.478 -2.759 2.622 1.00 0.37 N ATOM 350 CA ALA A 121 2.205 -3.012 1.949 1.00 0.34 C ATOM 351 C ALA A 121 1.058 -2.945 2.943 1.00 0.38 C ATOM 352 O ALA A 121 0.008 -2.358 2.678 1.00 0.47 O ATOM 353 CB ALA A 121 2.235 -4.367 1.264 1.00 0.27 C ATOM 0 H ALA A 121 4.154 -3.518 2.543 1.00 0.37 H new ATOM 0 HA ALA A 121 2.051 -2.242 1.193 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.282 -4.544 0.766 1.00 0.27 H new ATOM 0 HB2 ALA A 121 3.038 -4.384 0.527 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.407 -5.146 2.006 1.00 0.27 H new ATOM 359 N MET A 122 1.291 -3.532 4.101 1.00 0.35 N ATOM 360 CA MET A 122 0.320 -3.527 5.182 1.00 0.34 C ATOM 361 C MET A 122 0.192 -2.136 5.791 1.00 0.39 C ATOM 362 O MET A 122 -0.902 -1.694 6.150 1.00 0.41 O ATOM 363 CB MET A 122 0.726 -4.543 6.250 1.00 0.37 C ATOM 364 CG MET A 122 0.382 -5.982 5.906 1.00 0.38 C ATOM 365 SD MET A 122 -1.287 -6.454 6.409 1.00 0.49 S ATOM 366 CE MET A 122 -2.290 -5.280 5.505 1.00 0.63 C ATOM 0 H MET A 122 2.156 -4.025 4.320 1.00 0.35 H new ATOM 0 HA MET A 122 -0.652 -3.807 4.777 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.801 -4.468 6.416 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.239 -4.280 7.189 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.485 -6.126 4.830 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.101 -6.646 6.387 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.249 -5.735 5.258 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.455 -4.394 6.119 1.00 0.63 H new ATOM 0 HE3 MET A 122 -1.777 -4.994 4.587 1.00 0.63 H new ATOM 376 N GLN A 123 1.318 -1.455 5.891 1.00 0.44 N ATOM 377 CA GLN A 123 1.361 -0.115 6.453 1.00 0.53 C ATOM 378 C GLN A 123 0.669 0.895 5.537 1.00 0.54 C ATOM 379 O GLN A 123 -0.112 1.725 6.008 1.00 0.62 O ATOM 380 CB GLN A 123 2.815 0.268 6.755 1.00 0.65 C ATOM 381 CG GLN A 123 3.101 1.761 6.775 1.00 0.83 C ATOM 382 CD GLN A 123 4.578 2.043 6.955 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.334 2.112 5.981 1.00 1.60 O ATOM 384 NE2 GLN A 123 5.003 2.211 8.194 1.00 1.76 N ATOM 0 H GLN A 123 2.224 -1.811 5.587 1.00 0.44 H new ATOM 0 HA GLN A 123 0.807 -0.101 7.391 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.091 -0.151 7.723 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.459 -0.199 6.010 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.755 2.211 5.844 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.539 2.229 7.584 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.346 2.146 8.972 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.988 2.406 8.373 1.00 1.76 H new ATOM 393 N LEU A 124 0.924 0.814 4.238 1.00 0.49 N ATOM 394 CA LEU A 124 0.333 1.757 3.294 1.00 0.50 C ATOM 395 C LEU A 124 -1.178 1.557 3.196 1.00 0.45 C ATOM 396 O LEU A 124 -1.932 2.524 3.069 1.00 0.52 O ATOM 397 CB LEU A 124 1.005 1.653 1.922 1.00 0.50 C ATOM 398 CG LEU A 124 2.492 2.020 1.906 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.140 1.593 0.598 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.677 3.514 2.137 1.00 0.83 C ATOM 0 H LEU A 124 1.531 0.112 3.815 1.00 0.49 H new ATOM 0 HA LEU A 124 0.507 2.766 3.668 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.893 0.633 1.554 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.477 2.303 1.224 1.00 0.50 H new ATOM 0 HG LEU A 124 2.984 1.484 2.718 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.196 1.864 0.610 1.00 0.49 H new ATOM 0 HD12 LEU A 124 3.044 0.514 0.479 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.646 2.095 -0.234 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.740 3.756 2.122 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.168 4.070 1.350 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.256 3.787 3.105 1.00 0.83 H new ATOM 412 N LEU A 125 -1.615 0.299 3.277 1.00 0.37 N ATOM 413 CA LEU A 125 -3.041 -0.015 3.283 1.00 0.35 C ATOM 414 C LEU A 125 -3.687 0.587 4.517 1.00 0.46 C ATOM 415 O LEU A 125 -4.791 1.118 4.461 1.00 0.52 O ATOM 416 CB LEU A 125 -3.270 -1.527 3.302 1.00 0.28 C ATOM 417 CG LEU A 125 -3.259 -2.235 1.956 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.229 -3.734 2.184 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.483 -1.851 1.140 1.00 0.33 C ATOM 0 H LEU A 125 -1.003 -0.515 3.339 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.483 0.400 2.377 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.504 -1.980 3.931 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.230 -1.720 3.781 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.373 -1.933 1.398 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.221 -4.248 1.223 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.333 -3.999 2.745 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.112 -4.034 2.749 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.457 -2.367 0.180 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.385 -2.136 1.681 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.485 -0.774 0.972 1.00 0.33 H new ATOM 431 N THR A 126 -2.966 0.518 5.620 1.00 0.55 N ATOM 432 CA THR A 126 -3.502 0.990 6.883 1.00 0.74 C ATOM 433 C THR A 126 -3.607 2.511 6.878 1.00 0.92 C ATOM 434 O THR A 126 -4.628 3.078 7.273 1.00 1.07 O ATOM 435 CB THR A 126 -2.639 0.511 8.065 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.681 -0.923 8.143 1.00 0.86 O ATOM 437 CG2 THR A 126 -3.110 1.117 9.378 1.00 0.91 C ATOM 0 H THR A 126 -2.018 0.144 5.668 1.00 0.55 H new ATOM 0 HA THR A 126 -4.501 0.571 7.006 1.00 0.74 H new ATOM 0 HB THR A 126 -1.614 0.840 7.894 1.00 0.81 H new ATOM 0 HG1 THR A 126 -2.080 -1.305 7.470 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.479 0.758 10.191 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.045 2.204 9.321 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.143 0.824 9.564 1.00 0.91 H new ATOM 445 N ALA A 127 -2.552 3.159 6.398 1.00 0.96 N ATOM 446 CA ALA A 127 -2.485 4.610 6.361 1.00 1.09 C ATOM 447 C ALA A 127 -3.560 5.208 5.458 1.00 1.18 C ATOM 448 O ALA A 127 -4.210 6.181 5.828 1.00 1.38 O ATOM 449 CB ALA A 127 -1.104 5.040 5.896 1.00 1.18 C ATOM 0 H ALA A 127 -1.724 2.694 6.026 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.668 4.984 7.368 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.052 6.128 5.868 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.352 4.659 6.587 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -0.915 4.642 4.899 1.00 1.18 H new ATOM 455 N GLU A 128 -3.738 4.630 4.267 1.00 1.13 N ATOM 456 CA GLU A 128 -4.736 5.135 3.321 1.00 1.31 C ATOM 457 C GLU A 128 -6.131 5.078 3.925 1.00 1.38 C ATOM 458 O GLU A 128 -6.954 5.972 3.714 1.00 1.61 O ATOM 459 CB GLU A 128 -4.717 4.352 2.015 1.00 1.35 C ATOM 460 CG GLU A 128 -5.578 4.987 0.937 1.00 1.47 C ATOM 461 CD GLU A 128 -5.110 6.380 0.555 1.00 1.46 C ATOM 462 OE1 GLU A 128 -3.923 6.703 0.789 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.926 7.157 0.018 1.00 1.95 O ATOM 0 H GLU A 128 -3.211 3.821 3.938 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.478 6.172 3.107 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.690 4.277 1.656 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.065 3.336 2.200 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.572 4.351 0.052 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.610 5.038 1.285 1.00 1.47 H new ATOM 470 N ILE A 129 -6.372 4.033 4.693 1.00 1.24 N ATOM 471 CA ILE A 129 -7.634 3.885 5.387 1.00 1.42 C ATOM 472 C ILE A 129 -7.826 5.030 6.373 1.00 1.64 C ATOM 473 O ILE A 129 -8.921 5.582 6.494 1.00 1.92 O ATOM 474 CB ILE A 129 -7.723 2.521 6.102 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.752 1.411 5.056 1.00 1.14 C ATOM 476 CG2 ILE A 129 -8.953 2.449 6.996 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.666 0.019 5.629 1.00 1.01 C ATOM 0 H ILE A 129 -5.709 3.274 4.851 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.437 3.920 4.650 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.849 2.397 6.741 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.671 1.497 4.477 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -6.924 1.558 4.363 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -8.990 1.477 7.487 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.901 3.234 7.750 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.850 2.584 6.392 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.693 -0.710 4.819 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.734 -0.089 6.184 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.509 -0.151 6.299 1.00 1.01 H new ATOM 489 N GLU A 130 -6.743 5.410 7.041 1.00 1.56 N ATOM 490 CA GLU A 130 -6.767 6.516 7.983 1.00 1.76 C ATOM 491 C GLU A 130 -7.246 7.797 7.304 1.00 1.94 C ATOM 492 O GLU A 130 -8.049 8.529 7.874 1.00 2.19 O ATOM 493 CB GLU A 130 -5.379 6.740 8.583 1.00 1.67 C ATOM 494 CG GLU A 130 -4.879 5.575 9.419 1.00 1.60 C ATOM 495 CD GLU A 130 -3.571 5.883 10.106 1.00 1.81 C ATOM 496 OE1 GLU A 130 -3.592 6.590 11.139 1.00 2.25 O ATOM 497 OE2 GLU A 130 -2.518 5.416 9.635 1.00 2.15 O ATOM 0 H GLU A 130 -5.832 4.962 6.944 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.463 6.260 8.782 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.670 6.927 7.776 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.401 7.637 9.202 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.629 5.320 10.168 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -4.755 4.700 8.781 1.00 1.60 H new ATOM 504 N LYS A 131 -6.769 8.053 6.081 1.00 1.85 N ATOM 505 CA LYS A 131 -7.181 9.247 5.333 1.00 2.07 C ATOM 506 C LYS A 131 -8.692 9.280 5.156 1.00 2.28 C ATOM 507 O LYS A 131 -9.339 10.290 5.421 1.00 2.54 O ATOM 508 CB LYS A 131 -6.541 9.305 3.937 1.00 2.03 C ATOM 509 CG LYS A 131 -5.099 9.787 3.890 1.00 2.33 C ATOM 510 CD LYS A 131 -4.117 8.678 4.205 1.00 2.59 C ATOM 511 CE LYS A 131 -2.785 8.897 3.507 1.00 3.17 C ATOM 512 NZ LYS A 131 -2.922 8.855 2.024 1.00 3.73 N ATOM 0 H LYS A 131 -6.103 7.456 5.591 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.845 10.103 5.918 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -6.586 8.309 3.496 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -7.144 9.960 3.308 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -4.884 10.191 2.900 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -4.966 10.601 4.602 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -3.960 8.625 5.282 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.537 7.721 3.897 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -2.372 9.860 3.806 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -2.077 8.133 3.828 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -1.997 8.651 1.596 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -3.598 8.110 1.759 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -3.267 9.774 1.681 1.00 3.73 H new ATOM 526 N ILE A 132 -9.244 8.164 4.715 1.00 2.21 N ATOM 527 CA ILE A 132 -10.664 8.080 4.431 1.00 2.47 C ATOM 528 C ILE A 132 -11.485 8.176 5.716 1.00 2.68 C ATOM 529 O ILE A 132 -12.520 8.843 5.760 1.00 2.98 O ATOM 530 CB ILE A 132 -10.999 6.764 3.713 1.00 2.40 C ATOM 531 CG1 ILE A 132 -9.958 6.469 2.628 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.393 6.829 3.114 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.262 5.230 1.824 1.00 2.19 C ATOM 0 H ILE A 132 -8.728 7.301 4.545 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.919 8.918 3.782 1.00 2.47 H new ATOM 0 HB ILE A 132 -10.976 5.953 4.441 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -9.895 7.323 1.954 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -8.979 6.358 3.095 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.616 5.889 2.609 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.122 6.997 3.907 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.443 7.648 2.396 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.484 5.082 1.075 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.296 4.365 2.487 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.226 5.345 1.328 1.00 2.19 H new ATOM 545 N GLN A 133 -11.004 7.518 6.761 1.00 2.56 N ATOM 546 CA GLN A 133 -11.700 7.493 8.043 1.00 2.81 C ATOM 547 C GLN A 133 -11.696 8.866 8.701 1.00 2.98 C ATOM 548 O GLN A 133 -12.696 9.280 9.292 1.00 3.27 O ATOM 549 CB GLN A 133 -11.061 6.470 8.983 1.00 2.72 C ATOM 550 CG GLN A 133 -11.202 5.032 8.513 1.00 2.73 C ATOM 551 CD GLN A 133 -12.633 4.527 8.550 1.00 2.94 C ATOM 552 OE1 GLN A 133 -13.588 5.292 8.406 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.789 3.230 8.746 1.00 2.90 N ATOM 0 H GLN A 133 -10.131 6.991 6.747 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.733 7.205 7.849 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.002 6.704 9.093 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.513 6.566 9.970 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -10.821 4.951 7.495 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -10.581 4.390 9.138 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -11.972 2.630 8.861 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -13.726 2.829 8.782 1.00 2.90 H new ATOM 562 N LYS A 134 -10.575 9.573 8.594 1.00 2.82 N ATOM 563 CA LYS A 134 -10.428 10.868 9.255 1.00 3.02 C ATOM 564 C LYS A 134 -11.233 11.946 8.536 1.00 3.29 C ATOM 565 O LYS A 134 -11.732 12.879 9.165 1.00 3.54 O ATOM 566 CB LYS A 134 -8.951 11.280 9.351 1.00 2.88 C ATOM 567 CG LYS A 134 -8.296 11.600 8.019 1.00 2.85 C ATOM 568 CD LYS A 134 -6.832 11.984 8.191 1.00 2.90 C ATOM 569 CE LYS A 134 -6.015 10.848 8.786 1.00 3.30 C ATOM 570 NZ LYS A 134 -4.575 11.197 8.895 1.00 3.82 N ATOM 0 H LYS A 134 -9.759 9.275 8.060 1.00 2.82 H new ATOM 0 HA LYS A 134 -10.819 10.764 10.267 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -8.872 12.153 9.999 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.394 10.476 9.831 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.371 10.736 7.359 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -8.833 12.417 7.536 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -6.414 12.264 7.224 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.760 12.860 8.836 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -6.404 10.600 9.774 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -6.127 9.958 8.167 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -4.054 10.396 9.305 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -4.197 11.409 7.950 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -4.465 12.031 9.507 1.00 3.82 H new ATOM 584 N GLY A 135 -11.360 11.812 7.222 1.00 3.29 N ATOM 585 CA GLY A 135 -12.116 12.779 6.457 1.00 3.59 C ATOM 586 C GLY A 135 -11.340 14.059 6.239 1.00 4.02 C ATOM 587 O GLY A 135 -10.099 13.992 6.114 1.00 4.46 O ATOM 588 OXT GLY A 135 -11.965 15.140 6.215 1.00 4.40 O ATOM 0 H GLY A 135 -10.954 11.053 6.675 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -12.384 12.349 5.492 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -13.048 13.004 6.976 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 14.548 5.672 6.506 1.00 4.97 N ATOM 594 CA PRO B 99 15.194 6.456 5.459 1.00 4.83 C ATOM 595 C PRO B 99 14.718 6.042 4.073 1.00 4.33 C ATOM 596 O PRO B 99 14.674 4.856 3.734 1.00 4.07 O ATOM 597 CB PRO B 99 16.683 6.159 5.640 1.00 5.14 C ATOM 598 CG PRO B 99 16.736 4.844 6.332 1.00 5.27 C ATOM 599 CD PRO B 99 15.479 4.737 7.155 1.00 5.29 C ATOM 0 HA PRO B 99 14.963 7.518 5.537 1.00 4.83 H new ATOM 0 HB2 PRO B 99 17.196 6.120 4.679 1.00 5.14 H new ATOM 0 HB3 PRO B 99 17.171 6.935 6.230 1.00 5.14 H new ATOM 0 HG2 PRO B 99 16.797 4.029 5.611 1.00 5.27 H new ATOM 0 HG3 PRO B 99 17.620 4.775 6.965 1.00 5.27 H new ATOM 0 HD2 PRO B 99 15.088 3.720 7.155 1.00 5.29 H new ATOM 0 HD3 PRO B 99 15.658 5.010 8.195 1.00 5.29 H new ATOM 607 N GLU B 100 14.379 7.049 3.285 1.00 4.31 N ATOM 608 CA GLU B 100 13.778 6.876 1.968 1.00 4.02 C ATOM 609 C GLU B 100 14.679 6.059 1.038 1.00 3.83 C ATOM 610 O GLU B 100 14.191 5.318 0.183 1.00 3.64 O ATOM 611 CB GLU B 100 13.510 8.261 1.377 1.00 4.28 C ATOM 612 CG GLU B 100 12.668 8.269 0.119 1.00 4.51 C ATOM 613 CD GLU B 100 12.433 9.676 -0.391 1.00 4.77 C ATOM 614 OE1 GLU B 100 13.209 10.138 -1.249 1.00 4.99 O ATOM 615 OE2 GLU B 100 11.487 10.337 0.088 1.00 5.14 O ATOM 0 H GLU B 100 14.515 8.026 3.544 1.00 4.31 H new ATOM 0 HA GLU B 100 12.845 6.322 2.070 1.00 4.02 H new ATOM 0 HB2 GLU B 100 13.014 8.872 2.132 1.00 4.28 H new ATOM 0 HB3 GLU B 100 14.466 8.737 1.159 1.00 4.28 H new ATOM 0 HG2 GLU B 100 13.163 7.680 -0.653 1.00 4.51 H new ATOM 0 HG3 GLU B 100 11.710 7.790 0.320 1.00 4.51 H new ATOM 622 N ASN B 101 15.990 6.194 1.225 1.00 4.05 N ATOM 623 CA ASN B 101 16.953 5.497 0.374 1.00 4.09 C ATOM 624 C ASN B 101 16.783 3.986 0.470 1.00 3.98 C ATOM 625 O ASN B 101 16.924 3.276 -0.524 1.00 4.07 O ATOM 626 CB ASN B 101 18.386 5.893 0.744 1.00 4.55 C ATOM 627 CG ASN B 101 19.395 5.638 -0.374 1.00 4.75 C ATOM 628 OD1 ASN B 101 20.382 6.358 -0.499 1.00 5.19 O ATOM 629 ND2 ASN B 101 19.165 4.620 -1.191 1.00 4.68 N ATOM 0 H ASN B 101 16.408 6.775 1.952 1.00 4.05 H new ATOM 0 HA ASN B 101 16.761 5.795 -0.657 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.406 6.951 1.007 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.691 5.338 1.631 1.00 4.55 H new ATOM 0 HD21 ASN B 101 19.817 4.417 -1.949 1.00 4.68 H new ATOM 0 HD22 ASN B 101 18.336 4.040 -1.062 1.00 4.68 H new ATOM 636 N LYS B 102 16.456 3.494 1.649 1.00 3.93 N ATOM 637 CA LYS B 102 16.326 2.066 1.850 1.00 3.87 C ATOM 638 C LYS B 102 14.863 1.662 1.873 1.00 3.43 C ATOM 639 O LYS B 102 14.525 0.491 1.732 1.00 3.32 O ATOM 640 CB LYS B 102 17.060 1.663 3.134 1.00 4.20 C ATOM 641 CG LYS B 102 16.395 2.104 4.436 1.00 4.62 C ATOM 642 CD LYS B 102 15.300 1.147 4.896 1.00 5.18 C ATOM 643 CE LYS B 102 15.836 -0.250 5.164 1.00 5.68 C ATOM 644 NZ LYS B 102 16.902 -0.253 6.200 1.00 6.27 N ATOM 0 H LYS B 102 16.276 4.060 2.478 1.00 3.93 H new ATOM 0 HA LYS B 102 16.787 1.533 1.018 1.00 3.87 H new ATOM 0 HB2 LYS B 102 17.163 0.578 3.148 1.00 4.20 H new ATOM 0 HB3 LYS B 102 18.067 2.078 3.102 1.00 4.20 H new ATOM 0 HG2 LYS B 102 17.152 2.184 5.216 1.00 4.62 H new ATOM 0 HG3 LYS B 102 15.969 3.098 4.302 1.00 4.62 H new ATOM 0 HD2 LYS B 102 14.836 1.537 5.802 1.00 5.18 H new ATOM 0 HD3 LYS B 102 14.521 1.096 4.135 1.00 5.18 H new ATOM 0 HE2 LYS B 102 15.018 -0.896 5.484 1.00 5.68 H new ATOM 0 HE3 LYS B 102 16.230 -0.670 4.238 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 17.107 -1.232 6.485 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 17.764 0.182 5.813 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 16.583 0.289 7.028 1.00 6.27 H new ATOM 658 N TYR B 103 14.003 2.639 2.083 1.00 3.24 N ATOM 659 CA TYR B 103 12.566 2.454 2.040 1.00 2.85 C ATOM 660 C TYR B 103 12.111 2.016 0.644 1.00 2.56 C ATOM 661 O TYR B 103 11.142 1.267 0.505 1.00 2.28 O ATOM 662 CB TYR B 103 11.912 3.777 2.444 1.00 2.82 C ATOM 663 CG TYR B 103 10.405 3.797 2.423 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.663 2.987 3.269 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.728 4.661 1.578 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.284 3.037 3.268 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.351 4.716 1.565 1.00 2.65 C ATOM 668 CZ TYR B 103 7.632 3.902 2.415 1.00 2.31 C ATOM 669 OH TYR B 103 6.257 3.961 2.427 1.00 2.31 O ATOM 0 H TYR B 103 14.287 3.596 2.291 1.00 3.24 H new ATOM 0 HA TYR B 103 12.268 1.665 2.730 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.246 4.034 3.449 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.276 4.559 1.778 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.171 2.308 3.938 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.290 5.304 0.917 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.718 2.401 3.933 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.839 5.391 0.895 1.00 2.65 H new ATOM 0 HH TYR B 103 5.970 4.895 2.499 1.00 2.31 H new ATOM 679 N LEU B 104 12.829 2.471 -0.383 1.00 2.70 N ATOM 680 CA LEU B 104 12.487 2.187 -1.774 1.00 2.55 C ATOM 681 C LEU B 104 12.593 0.692 -2.107 1.00 2.53 C ATOM 682 O LEU B 104 11.618 0.100 -2.575 1.00 2.25 O ATOM 683 CB LEU B 104 13.384 3.011 -2.705 1.00 2.85 C ATOM 684 CG LEU B 104 13.200 2.763 -4.204 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.784 3.113 -4.637 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.220 3.567 -4.997 1.00 3.18 C ATOM 0 H LEU B 104 13.664 3.047 -0.272 1.00 2.70 H new ATOM 0 HA LEU B 104 11.445 2.471 -1.925 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.206 4.068 -2.507 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.424 2.809 -2.448 1.00 2.85 H new ATOM 0 HG LEU B 104 13.361 1.704 -4.404 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.675 2.929 -5.706 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.073 2.496 -4.088 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.589 4.165 -4.428 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.080 3.383 -6.062 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.085 4.629 -4.792 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.226 3.266 -4.706 1.00 3.18 H new ATOM 698 N PRO B 105 13.762 0.046 -1.886 1.00 2.88 N ATOM 699 CA PRO B 105 13.938 -1.378 -2.209 1.00 2.95 C ATOM 700 C PRO B 105 12.986 -2.271 -1.421 1.00 2.65 C ATOM 701 O PRO B 105 12.575 -3.329 -1.893 1.00 2.62 O ATOM 702 CB PRO B 105 15.391 -1.662 -1.825 1.00 3.43 C ATOM 703 CG PRO B 105 15.717 -0.600 -0.836 1.00 3.51 C ATOM 704 CD PRO B 105 14.999 0.618 -1.328 1.00 3.28 C ATOM 0 HA PRO B 105 13.720 -1.587 -3.256 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.503 -2.657 -1.394 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.049 -1.615 -2.692 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.385 -0.877 0.165 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.792 -0.429 -0.780 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.794 1.323 -0.522 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.576 1.154 -2.082 1.00 3.28 H new ATOM 712 N GLU B 106 12.636 -1.846 -0.217 1.00 2.53 N ATOM 713 CA GLU B 106 11.666 -2.572 0.576 1.00 2.35 C ATOM 714 C GLU B 106 10.323 -2.610 -0.142 1.00 1.89 C ATOM 715 O GLU B 106 9.677 -3.655 -0.229 1.00 1.84 O ATOM 716 CB GLU B 106 11.489 -1.910 1.935 1.00 2.43 C ATOM 717 CG GLU B 106 12.760 -1.856 2.765 1.00 2.88 C ATOM 718 CD GLU B 106 12.471 -1.887 4.248 1.00 3.33 C ATOM 719 OE1 GLU B 106 12.053 -0.851 4.805 1.00 3.62 O ATOM 720 OE2 GLU B 106 12.650 -2.956 4.865 1.00 3.71 O ATOM 0 H GLU B 106 13.008 -1.007 0.227 1.00 2.53 H new ATOM 0 HA GLU B 106 12.032 -3.589 0.717 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.120 -0.895 1.788 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.725 -2.450 2.494 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.400 -2.699 2.503 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.313 -0.948 2.523 1.00 2.88 H new ATOM 727 N LEU B 107 9.927 -1.459 -0.671 1.00 1.63 N ATOM 728 CA LEU B 107 8.663 -1.340 -1.381 1.00 1.23 C ATOM 729 C LEU B 107 8.656 -2.213 -2.623 1.00 1.08 C ATOM 730 O LEU B 107 7.699 -2.933 -2.873 1.00 0.96 O ATOM 731 CB LEU B 107 8.412 0.106 -1.791 1.00 1.21 C ATOM 732 CG LEU B 107 8.209 1.091 -0.650 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.211 2.506 -1.187 1.00 1.42 C ATOM 734 CD2 LEU B 107 6.906 0.809 0.071 1.00 1.19 C ATOM 0 H LEU B 107 10.465 -0.594 -0.621 1.00 1.63 H new ATOM 0 HA LEU B 107 7.874 -1.669 -0.705 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.255 0.445 -2.393 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.531 0.135 -2.432 1.00 1.21 H new ATOM 0 HG LEU B 107 9.028 0.977 0.061 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.065 3.207 -0.365 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.165 2.709 -1.673 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.404 2.622 -1.910 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.778 1.524 0.884 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.075 0.903 -0.629 1.00 1.19 H new ATOM 0 HD23 LEU B 107 6.926 -0.202 0.477 1.00 1.19 H new ATOM 746 N MET B 108 9.743 -2.160 -3.387 1.00 1.26 N ATOM 747 CA MET B 108 9.840 -2.930 -4.624 1.00 1.26 C ATOM 748 C MET B 108 9.821 -4.431 -4.343 1.00 1.17 C ATOM 749 O MET B 108 9.242 -5.199 -5.106 1.00 1.13 O ATOM 750 CB MET B 108 11.097 -2.551 -5.424 1.00 1.64 C ATOM 751 CG MET B 108 12.413 -3.010 -4.826 1.00 1.96 C ATOM 752 SD MET B 108 13.830 -2.559 -5.846 1.00 2.39 S ATOM 753 CE MET B 108 13.654 -0.775 -5.912 1.00 2.67 C ATOM 0 H MET B 108 10.565 -1.595 -3.174 1.00 1.26 H new ATOM 0 HA MET B 108 8.967 -2.683 -5.228 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.008 -2.969 -6.427 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.125 -1.467 -5.532 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.530 -2.573 -3.834 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.392 -4.092 -4.697 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.632 -0.308 -5.795 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.227 -0.487 -6.872 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.996 -0.444 -5.108 1.00 2.67 H new ATOM 763 N ALA B 109 10.439 -4.845 -3.241 1.00 1.27 N ATOM 764 CA ALA B 109 10.469 -6.258 -2.885 1.00 1.30 C ATOM 765 C ALA B 109 9.086 -6.754 -2.468 1.00 0.99 C ATOM 766 O ALA B 109 8.640 -7.816 -2.905 1.00 1.01 O ATOM 767 CB ALA B 109 11.495 -6.514 -1.791 1.00 1.60 C ATOM 0 H ALA B 109 10.921 -4.229 -2.586 1.00 1.27 H new ATOM 0 HA ALA B 109 10.767 -6.821 -3.769 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.502 -7.575 -1.540 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.483 -6.218 -2.143 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.236 -5.933 -0.906 1.00 1.60 H new ATOM 773 N GLU B 110 8.411 -5.981 -1.626 1.00 0.80 N ATOM 774 CA GLU B 110 7.051 -6.332 -1.217 1.00 0.62 C ATOM 775 C GLU B 110 6.114 -6.240 -2.424 1.00 0.45 C ATOM 776 O GLU B 110 5.231 -7.066 -2.612 1.00 0.54 O ATOM 777 CB GLU B 110 6.565 -5.409 -0.098 1.00 0.56 C ATOM 778 CG GLU B 110 7.363 -5.531 1.194 1.00 0.60 C ATOM 779 CD GLU B 110 6.819 -4.647 2.299 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.610 -4.196 3.158 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.600 -4.404 2.324 1.00 1.48 O ATOM 0 H GLU B 110 8.773 -5.120 -1.217 1.00 0.80 H new ATOM 0 HA GLU B 110 7.051 -7.353 -0.836 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.611 -4.377 -0.446 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.518 -5.628 0.111 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.354 -6.569 1.526 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.403 -5.267 1.001 1.00 0.60 H new ATOM 788 N LYS B 111 6.359 -5.218 -3.228 1.00 0.41 N ATOM 789 CA LYS B 111 5.580 -5.037 -4.451 1.00 0.46 C ATOM 790 C LYS B 111 5.718 -6.254 -5.371 1.00 0.47 C ATOM 791 O LYS B 111 4.725 -6.782 -5.873 1.00 0.52 O ATOM 792 CB LYS B 111 6.010 -3.759 -5.181 1.00 0.63 C ATOM 793 CG LYS B 111 5.576 -3.707 -6.638 1.00 0.79 C ATOM 794 CD LYS B 111 6.051 -2.435 -7.314 1.00 0.89 C ATOM 795 CE LYS B 111 5.855 -2.483 -8.821 1.00 1.15 C ATOM 796 NZ LYS B 111 4.425 -2.637 -9.207 1.00 1.89 N ATOM 0 H LYS B 111 7.076 -4.511 -3.065 1.00 0.41 H new ATOM 0 HA LYS B 111 4.531 -4.938 -4.173 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.597 -2.897 -4.658 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.095 -3.672 -5.132 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.973 -4.572 -7.168 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.489 -3.768 -6.698 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.508 -1.583 -6.905 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.106 -2.278 -7.091 1.00 0.89 H new ATOM 0 HE2 LYS B 111 6.251 -1.570 -9.265 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.430 -3.313 -9.232 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 4.334 -2.562 -10.240 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 4.080 -3.567 -8.895 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 3.861 -1.889 -8.755 1.00 1.89 H new ATOM 810 N ASP B 112 6.947 -6.701 -5.577 1.00 0.49 N ATOM 811 CA ASP B 112 7.219 -7.839 -6.453 1.00 0.58 C ATOM 812 C ASP B 112 6.648 -9.142 -5.891 1.00 0.53 C ATOM 813 O ASP B 112 6.234 -10.025 -6.643 1.00 0.63 O ATOM 814 CB ASP B 112 8.729 -7.983 -6.665 1.00 0.72 C ATOM 815 CG ASP B 112 9.095 -9.206 -7.482 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.940 -9.170 -8.719 1.00 3.03 O ATOM 817 OD2 ASP B 112 9.551 -10.205 -6.890 1.00 3.08 O ATOM 0 H ASP B 112 7.778 -6.293 -5.149 1.00 0.49 H new ATOM 0 HA ASP B 112 6.728 -7.646 -7.407 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.107 -7.091 -7.165 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.223 -8.039 -5.695 1.00 0.72 H new ATOM 822 N SER B 113 6.611 -9.249 -4.572 1.00 0.44 N ATOM 823 CA SER B 113 6.230 -10.495 -3.918 1.00 0.43 C ATOM 824 C SER B 113 4.742 -10.540 -3.561 1.00 0.35 C ATOM 825 O SER B 113 4.198 -11.609 -3.280 1.00 0.40 O ATOM 826 CB SER B 113 7.071 -10.674 -2.660 1.00 0.44 C ATOM 827 OG SER B 113 8.455 -10.644 -2.967 1.00 0.55 O ATOM 0 H SER B 113 6.840 -8.489 -3.932 1.00 0.44 H new ATOM 0 HA SER B 113 6.413 -11.309 -4.620 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.836 -9.885 -1.946 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.821 -11.621 -2.183 1.00 0.44 H new ATOM 0 HG SER B 113 8.762 -9.714 -3.003 1.00 0.55 H new ATOM 833 N LEU B 114 4.095 -9.388 -3.571 1.00 0.27 N ATOM 834 CA LEU B 114 2.705 -9.289 -3.151 1.00 0.23 C ATOM 835 C LEU B 114 1.777 -9.868 -4.214 1.00 0.27 C ATOM 836 O LEU B 114 2.038 -9.750 -5.414 1.00 0.30 O ATOM 837 CB LEU B 114 2.352 -7.830 -2.881 1.00 0.17 C ATOM 838 CG LEU B 114 1.131 -7.599 -1.987 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.489 -7.806 -0.523 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.575 -6.207 -2.197 1.00 0.16 C ATOM 0 H LEU B 114 4.510 -8.504 -3.866 1.00 0.27 H new ATOM 0 HA LEU B 114 2.575 -9.866 -2.235 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.213 -7.346 -2.421 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.180 -7.334 -3.836 1.00 0.17 H new ATOM 0 HG LEU B 114 0.367 -8.326 -2.262 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.607 -7.637 0.095 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.845 -8.826 -0.376 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.272 -7.104 -0.237 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.292 -6.061 -1.553 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.338 -5.469 -1.950 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.278 -6.087 -3.239 1.00 0.16 H new ATOM 852 N ASP B 115 0.707 -10.507 -3.764 1.00 0.29 N ATOM 853 CA ASP B 115 -0.255 -11.139 -4.661 1.00 0.34 C ATOM 854 C ASP B 115 -1.105 -10.083 -5.364 1.00 0.33 C ATOM 855 O ASP B 115 -1.638 -9.177 -4.722 1.00 0.29 O ATOM 856 CB ASP B 115 -1.156 -12.091 -3.873 1.00 0.37 C ATOM 857 CG ASP B 115 -1.978 -12.994 -4.768 1.00 0.49 C ATOM 858 OD1 ASP B 115 -2.962 -12.518 -5.369 1.00 1.23 O ATOM 859 OD2 ASP B 115 -1.645 -14.194 -4.867 1.00 1.21 O ATOM 0 H ASP B 115 0.480 -10.603 -2.774 1.00 0.29 H new ATOM 0 HA ASP B 115 0.293 -11.704 -5.415 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.541 -12.703 -3.213 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.825 -11.510 -3.238 1.00 0.37 H new ATOM 864 N PRO B 116 -1.243 -10.196 -6.697 1.00 0.41 N ATOM 865 CA PRO B 116 -1.964 -9.215 -7.523 1.00 0.46 C ATOM 866 C PRO B 116 -3.451 -9.110 -7.188 1.00 0.42 C ATOM 867 O PRO B 116 -4.109 -8.149 -7.588 1.00 0.47 O ATOM 868 CB PRO B 116 -1.780 -9.739 -8.950 1.00 0.55 C ATOM 869 CG PRO B 116 -1.491 -11.188 -8.785 1.00 0.55 C ATOM 870 CD PRO B 116 -0.698 -11.294 -7.515 1.00 0.50 C ATOM 0 HA PRO B 116 -1.576 -8.209 -7.361 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.677 -9.580 -9.549 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.962 -9.227 -9.458 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.412 -11.768 -8.723 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -0.927 -11.575 -9.634 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.833 -12.263 -7.034 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.370 -11.173 -7.694 1.00 0.50 H new ATOM 878 N SER B 117 -3.981 -10.103 -6.472 1.00 0.36 N ATOM 879 CA SER B 117 -5.387 -10.094 -6.080 1.00 0.37 C ATOM 880 C SER B 117 -5.691 -8.908 -5.163 1.00 0.38 C ATOM 881 O SER B 117 -6.847 -8.512 -5.005 1.00 0.56 O ATOM 882 CB SER B 117 -5.768 -11.408 -5.384 1.00 0.37 C ATOM 883 OG SER B 117 -7.148 -11.431 -5.059 1.00 1.30 O ATOM 0 H SER B 117 -3.459 -10.919 -6.154 1.00 0.36 H new ATOM 0 HA SER B 117 -5.984 -9.994 -6.987 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.530 -12.250 -6.034 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.175 -11.528 -4.477 1.00 0.37 H new ATOM 0 HG SER B 117 -7.494 -10.514 -5.036 1.00 1.30 H new ATOM 889 N PHE B 118 -4.654 -8.352 -4.554 1.00 0.28 N ATOM 890 CA PHE B 118 -4.805 -7.168 -3.726 1.00 0.32 C ATOM 891 C PHE B 118 -4.510 -5.935 -4.559 1.00 0.44 C ATOM 892 O PHE B 118 -3.388 -5.430 -4.564 1.00 0.94 O ATOM 893 CB PHE B 118 -3.865 -7.228 -2.523 1.00 0.27 C ATOM 894 CG PHE B 118 -4.047 -8.456 -1.688 1.00 0.23 C ATOM 895 CD1 PHE B 118 -3.447 -9.650 -2.051 1.00 1.22 C ATOM 896 CD2 PHE B 118 -4.816 -8.417 -0.542 1.00 1.21 C ATOM 897 CE1 PHE B 118 -3.613 -10.782 -1.286 1.00 1.21 C ATOM 898 CE2 PHE B 118 -4.986 -9.545 0.230 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.383 -10.732 -0.141 1.00 0.28 C ATOM 0 H PHE B 118 -3.699 -8.703 -4.619 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.829 -7.121 -3.354 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.834 -7.186 -2.874 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -4.026 -6.347 -1.901 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -2.842 -9.693 -2.945 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -5.289 -7.492 -0.248 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -3.142 -11.708 -1.581 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -5.590 -9.502 1.124 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.514 -11.618 0.463 1.00 0.28 H new ATOM 909 N THR B 119 -5.527 -5.465 -5.268 1.00 0.39 N ATOM 910 CA THR B 119 -5.381 -4.364 -6.204 1.00 0.39 C ATOM 911 C THR B 119 -4.808 -3.119 -5.538 1.00 0.41 C ATOM 912 O THR B 119 -3.788 -2.589 -5.971 1.00 0.45 O ATOM 913 CB THR B 119 -6.735 -3.998 -6.834 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.342 -5.161 -7.411 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.562 -2.924 -7.894 1.00 0.45 C ATOM 0 H THR B 119 -6.475 -5.837 -5.209 1.00 0.39 H new ATOM 0 HA THR B 119 -4.688 -4.704 -6.973 1.00 0.39 H new ATOM 0 HB THR B 119 -7.384 -3.609 -6.049 1.00 0.44 H new ATOM 0 HG1 THR B 119 -8.204 -4.917 -7.808 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.532 -2.680 -8.327 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.132 -2.031 -7.440 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.897 -3.289 -8.677 1.00 0.45 H new ATOM 923 N HIS B 120 -5.465 -2.654 -4.491 1.00 0.44 N ATOM 924 CA HIS B 120 -5.084 -1.408 -3.853 1.00 0.51 C ATOM 925 C HIS B 120 -3.767 -1.545 -3.107 1.00 0.47 C ATOM 926 O HIS B 120 -2.953 -0.627 -3.119 1.00 0.57 O ATOM 927 CB HIS B 120 -6.193 -0.921 -2.931 1.00 0.60 C ATOM 928 CG HIS B 120 -7.437 -0.543 -3.671 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.453 0.383 -4.695 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.704 -0.997 -3.560 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.679 0.480 -5.178 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.455 -0.346 -4.509 1.00 1.47 N ATOM 0 H HIS B 120 -6.265 -3.121 -4.065 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.936 -0.661 -4.633 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.429 -1.703 -2.209 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.837 -0.061 -2.365 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -6.645 0.910 -5.027 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -9.061 -1.735 -2.856 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -8.991 1.127 -5.984 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.453 -0.481 -4.669 1.00 1.47 H new ATOM 941 N ALA B 121 -3.557 -2.690 -2.467 1.00 0.37 N ATOM 942 CA ALA B 121 -2.290 -2.973 -1.798 1.00 0.33 C ATOM 943 C ALA B 121 -1.140 -2.917 -2.792 1.00 0.38 C ATOM 944 O ALA B 121 -0.080 -2.351 -2.524 1.00 0.47 O ATOM 945 CB ALA B 121 -2.342 -4.334 -1.124 1.00 0.27 C ATOM 0 H ALA B 121 -4.247 -3.438 -2.397 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.123 -2.213 -1.035 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.391 -4.532 -0.629 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.144 -4.344 -0.386 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.528 -5.104 -1.873 1.00 0.27 H new ATOM 951 N MET B 122 -1.386 -3.485 -3.956 1.00 0.35 N ATOM 952 CA MET B 122 -0.417 -3.484 -5.039 1.00 0.34 C ATOM 953 C MET B 122 -0.266 -2.090 -5.632 1.00 0.38 C ATOM 954 O MET B 122 0.836 -1.660 -5.982 1.00 0.41 O ATOM 955 CB MET B 122 -0.845 -4.481 -6.116 1.00 0.37 C ATOM 956 CG MET B 122 -0.523 -5.928 -5.788 1.00 0.38 C ATOM 957 SD MET B 122 1.135 -6.418 -6.307 1.00 0.49 S ATOM 958 CE MET B 122 2.159 -5.281 -5.381 1.00 0.63 C ATOM 0 H MET B 122 -2.261 -3.960 -4.180 1.00 0.35 H new ATOM 0 HA MET B 122 0.552 -3.784 -4.640 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.919 -4.387 -6.276 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.358 -4.216 -7.055 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.621 -6.082 -4.713 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.255 -6.576 -6.271 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.191 -5.631 -5.391 1.00 0.63 H new ATOM 0 HE2 MET B 122 2.107 -4.292 -5.835 1.00 0.63 H new ATOM 0 HE3 MET B 122 1.804 -5.227 -4.352 1.00 0.63 H new ATOM 968 N GLN B 123 -1.382 -1.391 -5.724 1.00 0.44 N ATOM 969 CA GLN B 123 -1.402 -0.044 -6.270 1.00 0.53 C ATOM 970 C GLN B 123 -0.691 0.945 -5.345 1.00 0.54 C ATOM 971 O GLN B 123 0.104 1.766 -5.807 1.00 0.62 O ATOM 972 CB GLN B 123 -2.847 0.371 -6.566 1.00 0.65 C ATOM 973 CG GLN B 123 -3.110 1.865 -6.568 1.00 0.83 C ATOM 974 CD GLN B 123 -4.586 2.171 -6.749 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.346 2.229 -5.778 1.00 1.60 O ATOM 976 NE2 GLN B 123 -5.004 2.372 -7.990 1.00 1.76 N ATOM 0 H GLN B 123 -2.294 -1.736 -5.425 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.848 -0.033 -7.209 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.130 -0.031 -7.539 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.499 -0.094 -5.827 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.760 2.298 -5.631 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.539 2.335 -7.369 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.344 2.315 -8.766 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.986 2.584 -8.170 1.00 1.76 H new ATOM 985 N LEU B 124 -0.946 0.856 -4.046 1.00 0.49 N ATOM 986 CA LEU B 124 -0.333 1.775 -3.092 1.00 0.50 C ATOM 987 C LEU B 124 1.176 1.545 -3.002 1.00 0.45 C ATOM 988 O LEU B 124 1.949 2.495 -2.873 1.00 0.52 O ATOM 989 CB LEU B 124 -1.005 1.671 -1.723 1.00 0.50 C ATOM 990 CG LEU B 124 -2.485 2.062 -1.701 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.135 1.635 -0.395 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.641 3.560 -1.915 1.00 0.83 C ATOM 0 H LEU B 124 -1.568 0.163 -3.630 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.486 2.792 -3.453 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.909 0.646 -1.364 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.466 2.306 -1.020 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.990 1.543 -2.516 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.186 1.923 -0.401 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -3.055 0.553 -0.285 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.630 2.122 0.439 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.699 3.822 -1.897 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.120 4.097 -1.122 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.216 3.836 -2.880 1.00 0.83 H new ATOM 1004 N LEU B 125 1.589 0.281 -3.098 1.00 0.37 N ATOM 1005 CA LEU B 125 3.011 -0.057 -3.110 1.00 0.35 C ATOM 1006 C LEU B 125 3.665 0.546 -4.338 1.00 0.46 C ATOM 1007 O LEU B 125 4.777 1.059 -4.277 1.00 0.52 O ATOM 1008 CB LEU B 125 3.213 -1.572 -3.143 1.00 0.28 C ATOM 1009 CG LEU B 125 3.190 -2.292 -1.803 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.135 -3.790 -2.044 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.423 -1.940 -0.987 1.00 0.33 C ATOM 0 H LEU B 125 0.963 -0.521 -3.168 1.00 0.37 H new ATOM 0 HA LEU B 125 3.463 0.342 -2.202 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.438 -2.005 -3.776 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.169 -1.778 -3.624 1.00 0.28 H new ATOM 0 HG LEU B 125 2.309 -1.978 -1.243 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.118 -4.312 -1.087 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.234 -4.035 -2.607 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.013 -4.100 -2.611 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.389 -2.464 -0.032 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.318 -2.238 -1.533 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.447 -0.865 -0.810 1.00 0.33 H new ATOM 1023 N THR B 126 2.942 0.502 -5.441 1.00 0.55 N ATOM 1024 CA THR B 126 3.485 0.976 -6.696 1.00 0.74 C ATOM 1025 C THR B 126 3.620 2.495 -6.677 1.00 0.92 C ATOM 1026 O THR B 126 4.651 3.048 -7.067 1.00 1.07 O ATOM 1027 CB THR B 126 2.610 0.526 -7.881 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.628 -0.906 -7.976 1.00 0.86 O ATOM 1029 CG2 THR B 126 3.087 1.139 -9.189 1.00 0.91 C ATOM 0 H THR B 126 1.987 0.147 -5.492 1.00 0.55 H new ATOM 0 HA THR B 126 4.476 0.540 -6.824 1.00 0.74 H new ATOM 0 HB THR B 126 1.591 0.871 -7.703 1.00 0.81 H new ATOM 0 HG1 THR B 126 2.022 -1.286 -7.306 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.447 0.800 -10.004 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.041 2.226 -9.119 1.00 0.91 H new ATOM 0 HG23 THR B 126 4.114 0.831 -9.382 1.00 0.91 H new ATOM 1037 N ALA B 127 2.578 3.157 -6.189 1.00 0.96 N ATOM 1038 CA ALA B 127 2.536 4.607 -6.135 1.00 1.09 C ATOM 1039 C ALA B 127 3.623 5.176 -5.230 1.00 1.18 C ATOM 1040 O ALA B 127 4.294 6.137 -5.593 1.00 1.38 O ATOM 1041 CB ALA B 127 1.164 5.056 -5.662 1.00 1.18 C ATOM 0 H ALA B 127 1.742 2.702 -5.821 1.00 0.96 H new ATOM 0 HA ALA B 127 2.723 4.989 -7.139 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.132 6.145 -5.621 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.404 4.696 -6.356 1.00 1.18 H new ATOM 0 HB3 ALA B 127 0.970 4.650 -4.669 1.00 1.18 H new ATOM 1047 N GLU B 128 3.790 4.586 -4.044 1.00 1.12 N ATOM 1048 CA GLU B 128 4.800 5.061 -3.094 1.00 1.31 C ATOM 1049 C GLU B 128 6.191 4.986 -3.699 1.00 1.38 C ATOM 1050 O GLU B 128 7.033 5.861 -3.482 1.00 1.62 O ATOM 1051 CB GLU B 128 4.767 4.263 -1.799 1.00 1.35 C ATOM 1052 CG GLU B 128 5.638 4.874 -0.715 1.00 1.46 C ATOM 1053 CD GLU B 128 5.192 6.271 -0.324 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.004 6.606 -0.516 1.00 2.01 O ATOM 1055 OE2 GLU B 128 6.030 7.045 0.178 1.00 1.95 O ATOM 0 H GLU B 128 3.245 3.787 -3.720 1.00 1.12 H new ATOM 0 HA GLU B 128 4.563 6.101 -2.868 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.739 4.200 -1.442 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.099 3.244 -1.996 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.620 4.231 0.165 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.671 4.910 -1.062 1.00 1.46 H new ATOM 1062 N ILE B 129 6.412 3.942 -4.479 1.00 1.24 N ATOM 1063 CA ILE B 129 7.670 3.777 -5.177 1.00 1.42 C ATOM 1064 C ILE B 129 7.882 4.927 -6.155 1.00 1.64 C ATOM 1065 O ILE B 129 8.988 5.456 -6.275 1.00 1.92 O ATOM 1066 CB ILE B 129 7.735 2.420 -5.907 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.745 1.297 -4.870 1.00 1.14 C ATOM 1068 CG2 ILE B 129 8.962 2.333 -6.804 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.630 -0.085 -5.460 1.00 1.01 C ATOM 0 H ILE B 129 5.735 3.197 -4.643 1.00 1.24 H new ATOM 0 HA ILE B 129 8.472 3.790 -4.439 1.00 1.42 H new ATOM 0 HB ILE B 129 6.858 2.320 -6.547 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.667 1.358 -4.292 1.00 1.14 H new ATOM 0 HG13 ILE B 129 6.921 1.453 -4.173 1.00 1.14 H new ATOM 0 HG21 ILE B 129 8.979 1.365 -7.304 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.924 3.127 -7.550 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.863 2.445 -6.200 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.645 -0.825 -4.660 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.695 -0.168 -6.013 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.468 -0.264 -6.134 1.00 1.01 H new ATOM 1081 N GLU B 130 6.806 5.334 -6.817 1.00 1.55 N ATOM 1082 CA GLU B 130 6.848 6.450 -7.749 1.00 1.76 C ATOM 1083 C GLU B 130 7.353 7.716 -7.058 1.00 1.94 C ATOM 1084 O GLU B 130 8.167 8.440 -7.622 1.00 2.19 O ATOM 1085 CB GLU B 130 5.461 6.704 -8.342 1.00 1.67 C ATOM 1086 CG GLU B 130 4.934 5.562 -9.192 1.00 1.60 C ATOM 1087 CD GLU B 130 3.625 5.910 -9.869 1.00 1.81 C ATOM 1088 OE1 GLU B 130 3.650 6.654 -10.877 1.00 2.25 O ATOM 1089 OE2 GLU B 130 2.562 5.461 -9.396 1.00 2.16 O ATOM 0 H GLU B 130 5.887 4.902 -6.723 1.00 1.55 H new ATOM 0 HA GLU B 130 7.537 6.191 -8.553 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.759 6.893 -7.530 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.497 7.609 -8.949 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.675 5.303 -9.948 1.00 1.60 H new ATOM 0 HG3 GLU B 130 4.795 4.680 -8.567 1.00 1.60 H new ATOM 1096 N LYS B 131 6.880 7.970 -5.832 1.00 1.85 N ATOM 1097 CA LYS B 131 7.315 9.148 -5.069 1.00 2.07 C ATOM 1098 C LYS B 131 8.824 9.152 -4.891 1.00 2.28 C ATOM 1099 O LYS B 131 9.490 10.158 -5.132 1.00 2.53 O ATOM 1100 CB LYS B 131 6.678 9.202 -3.673 1.00 2.03 C ATOM 1101 CG LYS B 131 5.246 9.710 -3.615 1.00 2.33 C ATOM 1102 CD LYS B 131 4.243 8.622 -3.942 1.00 2.59 C ATOM 1103 CE LYS B 131 2.913 8.856 -3.241 1.00 3.17 C ATOM 1104 NZ LYS B 131 3.042 8.786 -1.758 1.00 3.73 N ATOM 0 H LYS B 131 6.201 7.381 -5.349 1.00 1.85 H new ATOM 0 HA LYS B 131 6.994 10.016 -5.645 1.00 2.07 H new ATOM 0 HB2 LYS B 131 6.705 8.201 -3.244 1.00 2.03 H new ATOM 0 HB3 LYS B 131 7.295 9.838 -3.038 1.00 2.03 H new ATOM 0 HG2 LYS B 131 5.041 10.104 -2.620 1.00 2.33 H new ATOM 0 HG3 LYS B 131 5.126 10.536 -4.316 1.00 2.33 H new ATOM 0 HD2 LYS B 131 4.085 8.584 -5.020 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.646 7.654 -3.645 1.00 2.59 H new ATOM 0 HE2 LYS B 131 2.521 9.833 -3.525 1.00 3.17 H new ATOM 0 HE3 LYS B 131 2.190 8.112 -3.577 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 2.117 8.561 -1.339 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 3.727 8.046 -1.504 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 3.372 9.703 -1.395 1.00 3.73 H new ATOM 1118 N ILE B 132 9.356 8.020 -4.465 1.00 2.21 N ATOM 1119 CA ILE B 132 10.775 7.908 -4.184 1.00 2.47 C ATOM 1120 C ILE B 132 11.594 8.001 -5.467 1.00 2.68 C ATOM 1121 O ILE B 132 12.636 8.652 -5.504 1.00 2.98 O ATOM 1122 CB ILE B 132 11.090 6.579 -3.480 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.047 6.289 -2.398 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.489 6.618 -2.884 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.328 5.037 -1.608 1.00 2.19 C ATOM 0 H ILE B 132 8.825 7.164 -4.306 1.00 2.21 H new ATOM 0 HA ILE B 132 11.044 8.735 -3.527 1.00 2.47 H new ATOM 0 HB ILE B 132 11.052 5.775 -4.215 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.000 7.137 -1.714 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.066 6.201 -2.865 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.700 5.670 -2.388 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.218 6.782 -3.677 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.553 7.429 -2.159 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.548 4.896 -0.860 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.346 4.179 -2.280 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.294 5.129 -1.112 1.00 2.19 H new ATOM 1137 N GLN B 133 11.104 7.356 -6.518 1.00 2.56 N ATOM 1138 CA GLN B 133 11.797 7.340 -7.802 1.00 2.81 C ATOM 1139 C GLN B 133 11.816 8.724 -8.444 1.00 2.97 C ATOM 1140 O GLN B 133 12.822 9.133 -9.023 1.00 3.27 O ATOM 1141 CB GLN B 133 11.142 6.338 -8.756 1.00 2.72 C ATOM 1142 CG GLN B 133 11.255 4.890 -8.301 1.00 2.73 C ATOM 1143 CD GLN B 133 12.677 4.359 -8.331 1.00 2.94 C ATOM 1144 OE1 GLN B 133 13.643 5.102 -8.156 1.00 3.49 O ATOM 1145 NE2 GLN B 133 12.813 3.064 -8.554 1.00 2.90 N ATOM 0 H GLN B 133 10.227 6.835 -6.507 1.00 2.56 H new ATOM 0 HA GLN B 133 12.826 7.035 -7.612 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.088 6.593 -8.867 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.599 6.436 -9.741 1.00 2.72 H new ATOM 0 HG2 GLN B 133 10.864 4.804 -7.287 1.00 2.73 H new ATOM 0 HG3 GLN B 133 10.628 4.266 -8.939 1.00 2.73 H new ATOM 0 HE21 GLN B 133 11.988 2.481 -8.694 1.00 2.90 H new ATOM 0 HE22 GLN B 133 13.743 2.647 -8.586 1.00 2.90 H new ATOM 1154 N LYS B 134 10.707 9.444 -8.332 1.00 2.82 N ATOM 1155 CA LYS B 134 10.585 10.747 -8.977 1.00 3.02 C ATOM 1156 C LYS B 134 11.410 11.804 -8.249 1.00 3.29 C ATOM 1157 O LYS B 134 11.919 12.737 -8.869 1.00 3.54 O ATOM 1158 CB LYS B 134 9.116 11.187 -9.069 1.00 2.88 C ATOM 1159 CG LYS B 134 8.469 11.507 -7.731 1.00 2.84 C ATOM 1160 CD LYS B 134 7.010 11.915 -7.893 1.00 2.90 C ATOM 1161 CE LYS B 134 6.177 10.800 -8.505 1.00 3.30 C ATOM 1162 NZ LYS B 134 4.742 11.173 -8.608 1.00 3.82 N ATOM 0 H LYS B 134 9.884 9.152 -7.805 1.00 2.82 H new ATOM 0 HA LYS B 134 10.976 10.646 -9.989 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.053 12.067 -9.709 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.543 10.398 -9.556 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.533 10.636 -7.079 1.00 2.84 H new ATOM 0 HG3 LYS B 134 9.020 12.312 -7.244 1.00 2.84 H new ATOM 0 HD2 LYS B 134 6.598 12.185 -6.921 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.948 12.802 -8.523 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.562 10.561 -9.496 1.00 3.30 H new ATOM 0 HE3 LYS B 134 6.275 9.899 -7.899 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 4.208 10.386 -9.030 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 4.367 11.376 -7.659 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 4.645 12.018 -9.207 1.00 3.82 H new ATOM 1176 N GLY B 135 11.551 11.650 -6.940 1.00 3.29 N ATOM 1177 CA GLY B 135 12.322 12.602 -6.169 1.00 3.59 C ATOM 1178 C GLY B 135 11.560 13.890 -5.937 1.00 4.02 C ATOM 1179 O GLY B 135 10.320 13.830 -5.814 1.00 4.46 O ATOM 1180 OXT GLY B 135 12.189 14.966 -5.886 1.00 4.40 O ATOM 0 H GLY B 135 11.146 10.885 -6.400 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.589 12.160 -5.209 1.00 3.59 H new ATOM 0 HA3 GLY B 135 13.254 12.821 -6.690 1.00 3.59 H new TER 1184 GLY B 135