USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1137 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 66 THR OG1 : rot -120:sc= 0.761 USER MOD Set 1.2: A 115 LYS NZ :NH3+ -159:sc= 0.875 (180deg=-0.265) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 103 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Set 3.1: A 19 GLN : amide:sc= 0.55 K(o=1.1,f=-5.3!) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -153:sc= 0.563 (180deg=0.506) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 1.42 (180deg=-0.593) USER MOD Single : A 3 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.14) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.1!) USER MOD Single : A 34 THR OG1 : rot -26:sc= 1.16 USER MOD Single : A 41 SER OG : rot -38:sc= 0.488 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 153:sc= 0 (180deg=-0.419) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.89! C(o=-3.2!,f=-1.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 56:sc= 1.35 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.037 F(o=-0.69,f=-0.037) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -163:sc= -0.007 (180deg=-0.538) USER MOD Single : A 76 THR OG1 : rot -124:sc= 1.45 USER MOD Single : A 77 THR OG1 : rot -3:sc= 0.983 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 79 HIS : no HE2:sc= 0.0705 K(o=0.071,f=-0.94) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -164:sc= -0.0371 (180deg=-0.438) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 72:sc= 0.78 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 176:sc= 0 (180deg=-0.026) USER MOD Single : A 119 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.19) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0177 F(o=-0.72,f=-0.018) USER MOD Single : A 127 THR OG1 : rot 150:sc= -0.0107 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.55) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.1) USER MOD Single : A 145 ASN : amide:sc= 0.186 K(o=0.19,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.877 64.884 31.037 1.00 71.70 N ATOM 2 CA MET A 1 3.643 65.504 31.568 1.00 72.08 C ATOM 3 C MET A 1 2.424 64.930 30.850 1.00 70.91 C ATOM 4 O MET A 1 2.077 65.378 29.757 1.00 70.39 O ATOM 5 CB MET A 1 3.681 67.045 31.566 1.00 72.71 C ATOM 6 CG MET A 1 4.251 67.724 30.310 1.00 72.77 C ATOM 7 SD MET A 1 6.057 67.619 30.159 1.00 73.27 S ATOM 8 CE MET A 1 6.326 68.727 28.748 1.00 73.49 C ATOM 0 H1 MET A 1 5.298 64.272 31.764 1.00 71.70 H new ATOM 0 H2 MET A 1 4.646 64.316 30.197 1.00 71.70 H new ATOM 0 H3 MET A 1 5.555 65.628 30.776 1.00 71.70 H new ATOM 0 HA MET A 1 3.566 65.244 32.624 1.00 72.08 H new ATOM 0 HB2 MET A 1 2.665 67.410 31.718 1.00 72.71 H new ATOM 0 HB3 MET A 1 4.268 67.371 32.424 1.00 72.71 H new ATOM 0 HG2 MET A 1 3.797 67.271 29.429 1.00 72.77 H new ATOM 0 HG3 MET A 1 3.959 68.774 30.315 1.00 72.77 H new ATOM 0 HE1 MET A 1 7.391 68.776 28.522 1.00 73.49 H new ATOM 0 HE2 MET A 1 5.788 68.347 27.880 1.00 73.49 H new ATOM 0 HE3 MET A 1 5.961 69.724 28.994 1.00 73.49 H new ATOM 20 N GLY A 2 1.764 63.940 31.460 1.00 70.56 N ATOM 21 CA GLY A 2 0.574 63.281 30.904 1.00 69.54 C ATOM 22 C GLY A 2 0.533 61.789 31.217 1.00 68.87 C ATOM 23 O GLY A 2 0.939 61.364 32.294 1.00 69.56 O ATOM 0 H GLY A 2 2.044 63.567 32.367 1.00 70.56 H new ATOM 0 HA2 GLY A 2 -0.321 63.758 31.303 1.00 69.54 H new ATOM 0 HA3 GLY A 2 0.556 63.423 29.823 1.00 69.54 H new ATOM 27 N HIS A 3 0.024 60.983 30.286 1.00 67.58 N ATOM 28 CA HIS A 3 -0.165 59.541 30.465 1.00 66.79 C ATOM 29 C HIS A 3 0.207 58.762 29.180 1.00 65.19 C ATOM 30 O HIS A 3 0.643 59.364 28.202 1.00 64.76 O ATOM 31 CB HIS A 3 -1.605 59.283 30.950 1.00 67.08 C ATOM 32 CG HIS A 3 -1.898 59.877 32.315 1.00 67.97 C ATOM 33 ND1 HIS A 3 -1.491 59.383 33.535 1.00 68.50 N ATOM 34 CD2 HIS A 3 -2.582 61.035 32.573 1.00 68.48 C ATOM 35 CE1 HIS A 3 -1.930 60.215 34.496 1.00 69.31 C ATOM 36 NE2 HIS A 3 -2.619 61.236 33.959 1.00 69.33 N ATOM 0 H HIS A 3 -0.274 61.318 29.370 1.00 67.58 H new ATOM 0 HA HIS A 3 0.513 59.165 31.231 1.00 66.79 H new ATOM 0 HB2 HIS A 3 -2.304 59.698 30.224 1.00 67.08 H new ATOM 0 HB3 HIS A 3 -1.781 58.208 30.985 1.00 67.08 H new ATOM 0 HD2 HIS A 3 -3.020 61.686 31.831 1.00 68.48 H new ATOM 0 HE1 HIS A 3 -1.753 60.081 35.553 1.00 69.31 H new ATOM 0 HE2 HIS A 3 -3.075 62.000 34.458 1.00 69.33 H new ATOM 44 N THR A 4 0.082 57.425 29.201 1.00 64.39 N ATOM 45 CA THR A 4 0.686 56.490 28.226 1.00 62.95 C ATOM 46 C THR A 4 -0.035 55.132 28.235 1.00 62.21 C ATOM 47 O THR A 4 -1.073 54.998 28.889 1.00 62.80 O ATOM 48 CB THR A 4 2.207 56.420 28.483 1.00 63.08 C ATOM 49 OG1 THR A 4 2.838 55.723 27.438 1.00 62.08 O ATOM 50 CG2 THR A 4 2.579 55.742 29.805 1.00 63.68 C ATOM 0 H THR A 4 -0.460 56.945 29.920 1.00 64.39 H new ATOM 0 HA THR A 4 0.554 56.854 27.207 1.00 62.95 H new ATOM 0 HB THR A 4 2.547 57.454 28.537 1.00 63.08 H new ATOM 0 HG1 THR A 4 3.803 55.684 27.607 1.00 62.08 H new ATOM 0 HG21 THR A 4 3.663 55.730 29.915 1.00 63.68 H new ATOM 0 HG22 THR A 4 2.136 56.294 30.634 1.00 63.68 H new ATOM 0 HG23 THR A 4 2.203 54.719 29.808 1.00 63.68 H new ATOM 58 N MET A 5 0.501 54.126 27.535 1.00 61.00 N ATOM 59 CA MET A 5 0.005 52.739 27.466 1.00 60.19 C ATOM 60 C MET A 5 1.090 51.759 26.963 1.00 59.04 C ATOM 61 O MET A 5 1.934 52.182 26.173 1.00 58.52 O ATOM 62 CB MET A 5 -1.257 52.647 26.587 1.00 59.80 C ATOM 63 CG MET A 5 -1.052 53.176 25.160 1.00 58.73 C ATOM 64 SD MET A 5 -2.413 52.794 24.032 1.00 58.38 S ATOM 65 CE MET A 5 -1.759 53.604 22.553 1.00 57.85 C ATOM 0 H MET A 5 1.339 54.261 26.969 1.00 61.00 H new ATOM 0 HA MET A 5 -0.257 52.443 28.482 1.00 60.19 H new ATOM 0 HB2 MET A 5 -1.580 51.607 26.537 1.00 59.80 H new ATOM 0 HB3 MET A 5 -2.062 53.208 27.062 1.00 59.80 H new ATOM 0 HG2 MET A 5 -0.919 54.257 25.200 1.00 58.73 H new ATOM 0 HG3 MET A 5 -0.131 52.756 24.757 1.00 58.73 H new ATOM 0 HE1 MET A 5 -2.463 53.481 21.730 1.00 57.85 H new ATOM 0 HE2 MET A 5 -1.616 54.666 22.753 1.00 57.85 H new ATOM 0 HE3 MET A 5 -0.803 53.154 22.284 1.00 57.85 H new ATOM 75 N PRO A 6 1.090 50.480 27.400 1.00 58.69 N ATOM 76 CA PRO A 6 2.123 49.503 27.051 1.00 57.68 C ATOM 77 C PRO A 6 1.862 48.815 25.703 1.00 56.30 C ATOM 78 O PRO A 6 0.723 48.484 25.368 1.00 56.36 O ATOM 79 CB PRO A 6 2.123 48.490 28.200 1.00 58.12 C ATOM 80 CG PRO A 6 0.657 48.474 28.635 1.00 58.77 C ATOM 81 CD PRO A 6 0.220 49.926 28.432 1.00 59.44 C ATOM 0 HA PRO A 6 3.090 49.991 26.929 1.00 57.68 H new ATOM 0 HB2 PRO A 6 2.459 47.506 27.872 1.00 58.12 H new ATOM 0 HB3 PRO A 6 2.783 48.798 29.011 1.00 58.12 H new ATOM 0 HG2 PRO A 6 0.065 47.786 28.031 1.00 58.77 H new ATOM 0 HG3 PRO A 6 0.548 48.161 29.674 1.00 58.77 H new ATOM 0 HD2 PRO A 6 -0.825 49.978 28.127 1.00 59.44 H new ATOM 0 HD3 PRO A 6 0.310 50.491 29.360 1.00 59.44 H new ATOM 89 N ALA A 7 2.945 48.551 24.963 1.00 55.13 N ATOM 90 CA ALA A 7 2.954 47.900 23.649 1.00 53.71 C ATOM 91 C ALA A 7 3.611 46.501 23.679 1.00 52.74 C ATOM 92 O ALA A 7 4.545 46.241 24.436 1.00 52.99 O ATOM 93 CB ALA A 7 3.706 48.827 22.682 1.00 53.39 C ATOM 0 H ALA A 7 3.883 48.797 25.279 1.00 55.13 H new ATOM 0 HA ALA A 7 1.926 47.739 23.325 1.00 53.71 H new ATOM 0 HB1 ALA A 7 3.733 48.374 21.691 1.00 53.39 H new ATOM 0 HB2 ALA A 7 3.195 49.788 22.628 1.00 53.39 H new ATOM 0 HB3 ALA A 7 4.724 48.977 23.040 1.00 53.39 H new ATOM 99 N HIS A 8 3.141 45.591 22.823 1.00 51.67 N ATOM 100 CA HIS A 8 3.711 44.247 22.652 1.00 50.67 C ATOM 101 C HIS A 8 4.956 44.245 21.731 1.00 49.94 C ATOM 102 O HIS A 8 5.483 45.310 21.407 1.00 50.32 O ATOM 103 CB HIS A 8 2.583 43.283 22.225 1.00 50.23 C ATOM 104 CG HIS A 8 1.739 43.690 21.036 1.00 49.10 C ATOM 105 ND1 HIS A 8 0.396 43.414 20.887 1.00 48.86 N ATOM 106 CD2 HIS A 8 2.135 44.358 19.903 1.00 48.25 C ATOM 107 CE1 HIS A 8 0.002 43.894 19.698 1.00 47.88 C ATOM 108 NE2 HIS A 8 1.023 44.488 19.060 1.00 47.48 N ATOM 0 H HIS A 8 2.340 45.768 22.217 1.00 51.67 H new ATOM 0 HA HIS A 8 4.106 43.884 23.601 1.00 50.67 H new ATOM 0 HB2 HIS A 8 3.032 42.314 22.005 1.00 50.23 H new ATOM 0 HB3 HIS A 8 1.919 43.141 23.078 1.00 50.23 H new ATOM 0 HD2 HIS A 8 3.131 44.720 19.697 1.00 48.25 H new ATOM 0 HE1 HIS A 8 -1.001 43.813 19.307 1.00 47.88 H new ATOM 0 HE2 HIS A 8 0.995 44.942 18.147 1.00 47.48 H new ATOM 116 N THR A 9 5.446 43.066 21.315 1.00 49.00 N ATOM 117 CA THR A 9 6.701 42.856 20.564 1.00 48.38 C ATOM 118 C THR A 9 6.585 41.563 19.735 1.00 47.07 C ATOM 119 O THR A 9 5.857 40.670 20.181 1.00 46.93 O ATOM 120 CB THR A 9 7.878 42.839 21.557 1.00 49.21 C ATOM 121 OG1 THR A 9 9.106 42.911 20.882 1.00 49.05 O ATOM 122 CG2 THR A 9 7.925 41.599 22.453 1.00 49.31 C ATOM 0 H THR A 9 4.957 42.190 21.500 1.00 49.00 H new ATOM 0 HA THR A 9 6.885 43.667 19.860 1.00 48.38 H new ATOM 0 HB THR A 9 7.713 43.712 22.188 1.00 49.21 H new ATOM 0 HG1 THR A 9 9.838 42.900 21.533 1.00 49.05 H new ATOM 0 HG21 THR A 9 8.783 41.666 23.122 1.00 49.31 H new ATOM 0 HG22 THR A 9 7.009 41.541 23.042 1.00 49.31 H new ATOM 0 HG23 THR A 9 8.016 40.706 21.834 1.00 49.31 H new ATOM 130 N PRO A 10 7.232 41.437 18.555 1.00 46.20 N ATOM 131 CA PRO A 10 7.141 40.232 17.731 1.00 44.97 C ATOM 132 C PRO A 10 7.884 39.054 18.393 1.00 44.75 C ATOM 133 O PRO A 10 9.088 39.171 18.643 1.00 45.23 O ATOM 134 CB PRO A 10 7.736 40.608 16.368 1.00 44.40 C ATOM 135 CG PRO A 10 8.682 41.764 16.689 1.00 45.34 C ATOM 136 CD PRO A 10 7.978 42.472 17.846 1.00 46.40 C ATOM 0 HA PRO A 10 6.111 39.895 17.616 1.00 44.97 H new ATOM 0 HB2 PRO A 10 8.268 39.769 15.919 1.00 44.40 H new ATOM 0 HB3 PRO A 10 6.961 40.909 15.663 1.00 44.40 H new ATOM 0 HG2 PRO A 10 9.672 41.408 16.976 1.00 45.34 H new ATOM 0 HG3 PRO A 10 8.817 42.425 15.833 1.00 45.34 H new ATOM 0 HD2 PRO A 10 8.699 42.954 18.506 1.00 46.40 H new ATOM 0 HD3 PRO A 10 7.311 43.252 17.479 1.00 46.40 H new ATOM 144 N PRO A 11 7.199 37.926 18.680 1.00 44.12 N ATOM 145 CA PRO A 11 7.786 36.757 19.332 1.00 43.92 C ATOM 146 C PRO A 11 8.510 35.853 18.318 1.00 42.97 C ATOM 147 O PRO A 11 8.651 36.194 17.141 1.00 42.36 O ATOM 148 CB PRO A 11 6.588 36.056 19.987 1.00 43.75 C ATOM 149 CG PRO A 11 5.477 36.287 18.966 1.00 43.17 C ATOM 150 CD PRO A 11 5.771 37.704 18.475 1.00 43.71 C ATOM 0 HA PRO A 11 8.552 37.020 20.062 1.00 43.92 H new ATOM 0 HB2 PRO A 11 6.777 34.995 20.149 1.00 43.75 H new ATOM 0 HB3 PRO A 11 6.345 36.488 20.957 1.00 43.75 H new ATOM 0 HG2 PRO A 11 5.514 35.560 18.154 1.00 43.17 H new ATOM 0 HG3 PRO A 11 4.488 36.211 19.418 1.00 43.17 H new ATOM 0 HD2 PRO A 11 5.509 37.812 17.423 1.00 43.71 H new ATOM 0 HD3 PRO A 11 5.181 38.436 19.027 1.00 43.71 H new ATOM 158 N ALA A 12 8.952 34.675 18.771 1.00 42.94 N ATOM 159 CA ALA A 12 9.432 33.597 17.904 1.00 42.08 C ATOM 160 C ALA A 12 8.272 32.782 17.283 1.00 40.78 C ATOM 161 O ALA A 12 7.110 32.900 17.674 1.00 40.95 O ATOM 162 CB ALA A 12 10.384 32.714 18.721 1.00 43.21 C ATOM 0 H ALA A 12 8.986 34.442 19.763 1.00 42.94 H new ATOM 0 HA ALA A 12 9.967 34.026 17.057 1.00 42.08 H new ATOM 0 HB1 ALA A 12 10.755 31.903 18.095 1.00 43.21 H new ATOM 0 HB2 ALA A 12 11.223 33.313 19.074 1.00 43.21 H new ATOM 0 HB3 ALA A 12 9.851 32.298 19.576 1.00 43.21 H new ATOM 168 N GLN A 13 8.590 31.911 16.317 1.00 39.59 N ATOM 169 CA GLN A 13 7.606 31.157 15.528 1.00 38.23 C ATOM 170 C GLN A 13 8.216 29.882 14.929 1.00 37.52 C ATOM 171 O GLN A 13 9.399 29.889 14.581 1.00 37.82 O ATOM 172 CB GLN A 13 7.008 32.067 14.429 1.00 37.33 C ATOM 173 CG GLN A 13 8.017 32.457 13.326 1.00 36.86 C ATOM 174 CD GLN A 13 7.555 33.675 12.521 1.00 36.56 C ATOM 175 OE1 GLN A 13 6.619 33.642 11.740 1.00 35.96 O ATOM 176 NE2 GLN A 13 8.180 34.816 12.681 1.00 37.13 N ATOM 0 H GLN A 13 9.555 31.707 16.057 1.00 39.59 H new ATOM 0 HA GLN A 13 6.803 30.838 16.193 1.00 38.23 H new ATOM 0 HB2 GLN A 13 6.161 31.558 13.970 1.00 37.33 H new ATOM 0 HB3 GLN A 13 6.621 32.975 14.892 1.00 37.33 H new ATOM 0 HG2 GLN A 13 8.985 32.670 13.780 1.00 36.86 H new ATOM 0 HG3 GLN A 13 8.160 31.612 12.652 1.00 36.86 H new ATOM 0 HE21 GLN A 13 8.967 34.880 13.326 1.00 37.13 H new ATOM 0 HE22 GLN A 13 7.879 35.640 12.160 1.00 37.13 H new ATOM 185 N THR A 14 7.409 28.817 14.781 1.00 36.68 N ATOM 186 CA THR A 14 7.817 27.529 14.185 1.00 35.94 C ATOM 187 C THR A 14 7.529 27.490 12.680 1.00 34.41 C ATOM 188 O THR A 14 6.707 28.244 12.153 1.00 34.02 O ATOM 189 CB THR A 14 7.155 26.347 14.932 1.00 36.46 C ATOM 190 OG1 THR A 14 7.732 25.130 14.508 1.00 36.38 O ATOM 191 CG2 THR A 14 5.640 26.233 14.724 1.00 36.16 C ATOM 0 H THR A 14 6.433 28.826 15.078 1.00 36.68 H new ATOM 0 HA THR A 14 8.896 27.429 14.300 1.00 35.94 H new ATOM 0 HB THR A 14 7.329 26.545 15.990 1.00 36.46 H new ATOM 0 HG1 THR A 14 7.311 24.385 14.985 1.00 36.38 H new ATOM 0 HG21 THR A 14 5.259 25.378 15.283 1.00 36.16 H new ATOM 0 HG22 THR A 14 5.155 27.143 15.077 1.00 36.16 H new ATOM 0 HG23 THR A 14 5.428 26.097 13.664 1.00 36.16 H new ATOM 199 N ALA A 15 8.200 26.573 11.988 1.00 33.65 N ATOM 200 CA ALA A 15 7.901 26.215 10.607 1.00 32.22 C ATOM 201 C ALA A 15 7.074 24.910 10.589 1.00 31.37 C ATOM 202 O ALA A 15 7.626 23.848 10.904 1.00 31.64 O ATOM 203 CB ALA A 15 9.219 26.079 9.838 1.00 32.32 C ATOM 0 H ALA A 15 8.982 26.049 12.380 1.00 33.65 H new ATOM 0 HA ALA A 15 7.306 26.987 10.120 1.00 32.22 H new ATOM 0 HB1 ALA A 15 9.010 25.811 8.802 1.00 32.32 H new ATOM 0 HB2 ALA A 15 9.756 27.027 9.866 1.00 32.32 H new ATOM 0 HB3 ALA A 15 9.830 25.302 10.298 1.00 32.32 H new ATOM 209 N PRO A 16 5.767 24.965 10.256 1.00 30.47 N ATOM 210 CA PRO A 16 4.930 23.777 10.186 1.00 29.66 C ATOM 211 C PRO A 16 5.240 22.966 8.923 1.00 28.45 C ATOM 212 O PRO A 16 5.790 23.482 7.947 1.00 28.11 O ATOM 213 CB PRO A 16 3.490 24.294 10.185 1.00 29.34 C ATOM 214 CG PRO A 16 3.616 25.634 9.468 1.00 29.28 C ATOM 215 CD PRO A 16 4.981 26.148 9.926 1.00 30.34 C ATOM 0 HA PRO A 16 5.107 23.102 11.024 1.00 29.66 H new ATOM 0 HB2 PRO A 16 2.817 23.616 9.661 1.00 29.34 H new ATOM 0 HB3 PRO A 16 3.101 24.411 11.196 1.00 29.34 H new ATOM 0 HG2 PRO A 16 3.572 25.517 8.385 1.00 29.28 H new ATOM 0 HG3 PRO A 16 2.814 26.317 9.747 1.00 29.28 H new ATOM 0 HD2 PRO A 16 5.463 26.729 9.140 1.00 30.34 H new ATOM 0 HD3 PRO A 16 4.881 26.803 10.791 1.00 30.34 H new ATOM 223 N ALA A 17 4.855 21.687 8.938 1.00 27.90 N ATOM 224 CA ALA A 17 4.935 20.817 7.769 1.00 26.75 C ATOM 225 C ALA A 17 3.961 21.257 6.660 1.00 25.14 C ATOM 226 O ALA A 17 2.897 21.828 6.918 1.00 24.81 O ATOM 227 CB ALA A 17 4.708 19.362 8.203 1.00 27.13 C ATOM 0 H ALA A 17 4.478 21.227 9.767 1.00 27.90 H new ATOM 0 HA ALA A 17 5.932 20.896 7.335 1.00 26.75 H new ATOM 0 HB1 ALA A 17 4.767 18.709 7.332 1.00 27.13 H new ATOM 0 HB2 ALA A 17 5.472 19.074 8.925 1.00 27.13 H new ATOM 0 HB3 ALA A 17 3.723 19.268 8.661 1.00 27.13 H new ATOM 233 N ALA A 18 4.345 20.971 5.412 1.00 24.29 N ATOM 234 CA ALA A 18 3.582 21.328 4.218 1.00 22.79 C ATOM 235 C ALA A 18 2.149 20.766 4.283 1.00 21.80 C ATOM 236 O ALA A 18 1.940 19.577 4.528 1.00 22.38 O ATOM 237 CB ALA A 18 4.354 20.844 2.984 1.00 22.86 C ATOM 0 H ALA A 18 5.212 20.475 5.202 1.00 24.29 H new ATOM 0 HA ALA A 18 3.470 22.410 4.154 1.00 22.79 H new ATOM 0 HB1 ALA A 18 3.798 21.102 2.083 1.00 22.86 H new ATOM 0 HB2 ALA A 18 5.333 21.323 2.956 1.00 22.86 H new ATOM 0 HB3 ALA A 18 4.480 19.763 3.035 1.00 22.86 H new ATOM 243 N GLN A 19 1.160 21.644 4.107 1.00 20.49 N ATOM 244 CA GLN A 19 -0.227 21.382 4.473 1.00 19.66 C ATOM 245 C GLN A 19 -1.144 21.301 3.256 1.00 18.07 C ATOM 246 O GLN A 19 -0.861 21.881 2.210 1.00 17.65 O ATOM 247 CB GLN A 19 -0.698 22.460 5.474 1.00 20.17 C ATOM 248 CG GLN A 19 -0.719 21.918 6.910 1.00 21.09 C ATOM 249 CD GLN A 19 -1.921 21.000 7.140 1.00 21.21 C ATOM 250 OE1 GLN A 19 -2.148 20.025 6.431 1.00 21.07 O ATOM 251 NE2 GLN A 19 -2.784 21.324 8.076 1.00 21.65 N ATOM 0 H GLN A 19 1.305 22.568 3.701 1.00 20.49 H new ATOM 0 HA GLN A 19 -0.281 20.403 4.949 1.00 19.66 H new ATOM 0 HB2 GLN A 19 -0.036 23.324 5.419 1.00 20.17 H new ATOM 0 HB3 GLN A 19 -1.695 22.804 5.198 1.00 20.17 H new ATOM 0 HG2 GLN A 19 0.203 21.371 7.108 1.00 21.09 H new ATOM 0 HG3 GLN A 19 -0.753 22.749 7.614 1.00 21.09 H new ATOM 0 HE21 GLN A 19 -2.609 22.132 8.673 1.00 21.65 H new ATOM 0 HE22 GLN A 19 -3.629 20.768 8.205 1.00 21.65 H new ATOM 260 N LYS A 20 -2.265 20.591 3.418 1.00 17.33 N ATOM 261 CA LYS A 20 -3.239 20.317 2.364 1.00 15.92 C ATOM 262 C LYS A 20 -4.659 20.143 2.924 1.00 15.41 C ATOM 263 O LYS A 20 -4.824 19.569 4.003 1.00 16.42 O ATOM 264 CB LYS A 20 -2.790 19.109 1.502 1.00 16.04 C ATOM 265 CG LYS A 20 -3.075 17.670 2.002 1.00 16.65 C ATOM 266 CD LYS A 20 -1.996 16.990 2.866 1.00 18.10 C ATOM 267 CE LYS A 20 -1.725 17.576 4.259 1.00 18.68 C ATOM 268 NZ LYS A 20 -2.912 17.533 5.149 1.00 19.13 N ATOM 0 H LYS A 20 -2.525 20.180 4.315 1.00 17.33 H new ATOM 0 HA LYS A 20 -3.278 21.188 1.709 1.00 15.92 H new ATOM 0 HB2 LYS A 20 -3.258 19.214 0.523 1.00 16.04 H new ATOM 0 HB3 LYS A 20 -1.714 19.196 1.352 1.00 16.04 H new ATOM 0 HG2 LYS A 20 -4.001 17.691 2.576 1.00 16.65 H new ATOM 0 HG3 LYS A 20 -3.254 17.040 1.130 1.00 16.65 H new ATOM 0 HD2 LYS A 20 -2.276 15.944 2.991 1.00 18.10 H new ATOM 0 HD3 LYS A 20 -1.060 17.005 2.308 1.00 18.10 H new ATOM 0 HE2 LYS A 20 -0.908 17.026 4.726 1.00 18.68 H new ATOM 0 HE3 LYS A 20 -1.394 18.609 4.154 1.00 18.68 H new ATOM 0 HZ1 LYS A 20 -2.848 18.298 5.850 1.00 19.13 H new ATOM 0 HZ2 LYS A 20 -3.775 17.654 4.582 1.00 19.13 H new ATOM 0 HZ3 LYS A 20 -2.945 16.616 5.639 1.00 19.13 H new ATOM 282 N ALA A 21 -5.667 20.577 2.174 1.00 14.10 N ATOM 283 CA ALA A 21 -7.081 20.254 2.373 1.00 13.63 C ATOM 284 C ALA A 21 -7.627 19.677 1.059 1.00 12.34 C ATOM 285 O ALA A 21 -7.136 20.042 -0.011 1.00 11.69 O ATOM 286 CB ALA A 21 -7.838 21.526 2.778 1.00 13.68 C ATOM 0 H ALA A 21 -5.517 21.192 1.374 1.00 14.10 H new ATOM 0 HA ALA A 21 -7.209 19.519 3.167 1.00 13.63 H new ATOM 0 HB1 ALA A 21 -8.892 21.290 2.927 1.00 13.68 H new ATOM 0 HB2 ALA A 21 -7.419 21.919 3.704 1.00 13.68 H new ATOM 0 HB3 ALA A 21 -7.741 22.273 1.990 1.00 13.68 H new ATOM 292 N GLY A 22 -8.620 18.787 1.130 1.00 12.25 N ATOM 293 CA GLY A 22 -9.150 18.116 -0.058 1.00 11.25 C ATOM 294 C GLY A 22 -10.076 16.944 0.249 1.00 11.06 C ATOM 295 O GLY A 22 -9.694 15.981 0.918 1.00 12.04 O ATOM 0 H GLY A 22 -9.074 18.514 2.002 1.00 12.25 H new ATOM 0 HA2 GLY A 22 -9.691 18.844 -0.662 1.00 11.25 H new ATOM 0 HA3 GLY A 22 -8.316 17.758 -0.662 1.00 11.25 H new ATOM 299 N ALA A 23 -11.285 17.018 -0.314 1.00 10.04 N ATOM 300 CA ALA A 23 -12.274 15.943 -0.363 1.00 9.78 C ATOM 301 C ALA A 23 -12.697 15.631 -1.815 1.00 8.59 C ATOM 302 O ALA A 23 -12.322 14.582 -2.330 1.00 9.04 O ATOM 303 CB ALA A 23 -13.461 16.341 0.534 1.00 10.45 C ATOM 0 H ALA A 23 -11.614 17.870 -0.769 1.00 10.04 H new ATOM 0 HA ALA A 23 -11.843 15.016 0.017 1.00 9.78 H new ATOM 0 HB1 ALA A 23 -14.213 15.552 0.513 1.00 10.45 H new ATOM 0 HB2 ALA A 23 -13.112 16.483 1.557 1.00 10.45 H new ATOM 0 HB3 ALA A 23 -13.899 17.270 0.168 1.00 10.45 H new ATOM 309 N GLN A 24 -13.470 16.528 -2.435 1.00 7.61 N ATOM 310 CA GLN A 24 -14.215 16.340 -3.683 1.00 6.92 C ATOM 311 C GLN A 24 -15.377 15.346 -3.500 1.00 6.78 C ATOM 312 O GLN A 24 -15.286 14.357 -2.780 1.00 7.43 O ATOM 313 CB GLN A 24 -13.325 15.995 -4.891 1.00 6.99 C ATOM 314 CG GLN A 24 -12.197 17.009 -5.141 1.00 7.45 C ATOM 315 CD GLN A 24 -11.533 16.793 -6.502 1.00 8.15 C ATOM 316 OE1 GLN A 24 -11.110 15.706 -6.866 1.00 8.68 O ATOM 317 NE2 GLN A 24 -11.416 17.813 -7.328 1.00 8.72 N ATOM 0 H GLN A 24 -13.600 17.465 -2.054 1.00 7.61 H new ATOM 0 HA GLN A 24 -14.649 17.310 -3.926 1.00 6.92 H new ATOM 0 HB2 GLN A 24 -12.887 15.009 -4.738 1.00 6.99 H new ATOM 0 HB3 GLN A 24 -13.948 15.932 -5.783 1.00 6.99 H new ATOM 0 HG2 GLN A 24 -12.599 18.021 -5.089 1.00 7.45 H new ATOM 0 HG3 GLN A 24 -11.449 16.922 -4.353 1.00 7.45 H new ATOM 0 HE21 GLN A 24 -11.759 18.733 -7.054 1.00 8.72 H new ATOM 0 HE22 GLN A 24 -10.982 17.682 -8.242 1.00 8.72 H new ATOM 326 N ALA A 25 -16.509 15.612 -4.160 1.00 6.29 N ATOM 327 CA ALA A 25 -17.782 14.920 -3.908 1.00 6.43 C ATOM 328 C ALA A 25 -17.905 13.492 -4.504 1.00 5.95 C ATOM 329 O ALA A 25 -19.023 13.006 -4.711 1.00 6.69 O ATOM 330 CB ALA A 25 -18.898 15.856 -4.399 1.00 7.20 C ATOM 0 H ALA A 25 -16.570 16.320 -4.892 1.00 6.29 H new ATOM 0 HA ALA A 25 -17.856 14.725 -2.838 1.00 6.43 H new ATOM 0 HB1 ALA A 25 -19.867 15.385 -4.233 1.00 7.20 H new ATOM 0 HB2 ALA A 25 -18.852 16.796 -3.849 1.00 7.20 H new ATOM 0 HB3 ALA A 25 -18.767 16.051 -5.463 1.00 7.20 H new ATOM 336 N LEU A 26 -16.795 12.823 -4.840 1.00 5.07 N ATOM 337 CA LEU A 26 -16.806 11.607 -5.666 1.00 4.63 C ATOM 338 C LEU A 26 -17.294 10.376 -4.872 1.00 4.52 C ATOM 339 O LEU A 26 -16.733 10.061 -3.817 1.00 4.50 O ATOM 340 CB LEU A 26 -15.423 11.335 -6.302 1.00 4.46 C ATOM 341 CG LEU A 26 -15.031 12.180 -7.538 1.00 5.14 C ATOM 342 CD1 LEU A 26 -16.067 12.114 -8.672 1.00 5.98 C ATOM 343 CD2 LEU A 26 -14.744 13.645 -7.191 1.00 5.86 C ATOM 0 H LEU A 26 -15.861 13.110 -4.546 1.00 5.07 H new ATOM 0 HA LEU A 26 -17.517 11.784 -6.473 1.00 4.63 H new ATOM 0 HB2 LEU A 26 -14.663 11.487 -5.535 1.00 4.46 H new ATOM 0 HB3 LEU A 26 -15.383 10.283 -6.586 1.00 4.46 H new ATOM 0 HG LEU A 26 -14.109 11.723 -7.896 1.00 5.14 H new ATOM 0 HD11 LEU A 26 -15.731 12.728 -9.508 1.00 5.98 H new ATOM 0 HD12 LEU A 26 -16.179 11.081 -9.002 1.00 5.98 H new ATOM 0 HD13 LEU A 26 -17.026 12.486 -8.311 1.00 5.98 H new ATOM 0 HD21 LEU A 26 -14.475 14.187 -8.097 1.00 5.86 H new ATOM 0 HD22 LEU A 26 -15.633 14.095 -6.749 1.00 5.86 H new ATOM 0 HD23 LEU A 26 -13.920 13.696 -6.479 1.00 5.86 H new ATOM 355 N PRO A 27 -18.306 9.636 -5.374 1.00 4.91 N ATOM 356 CA PRO A 27 -18.918 8.505 -4.675 1.00 5.24 C ATOM 357 C PRO A 27 -18.052 7.237 -4.805 1.00 4.53 C ATOM 358 O PRO A 27 -18.483 6.232 -5.369 1.00 4.78 O ATOM 359 CB PRO A 27 -20.311 8.381 -5.309 1.00 6.32 C ATOM 360 CG PRO A 27 -20.062 8.781 -6.760 1.00 6.33 C ATOM 361 CD PRO A 27 -19.024 9.893 -6.619 1.00 5.60 C ATOM 0 HA PRO A 27 -18.999 8.650 -3.598 1.00 5.24 H new ATOM 0 HB2 PRO A 27 -20.701 7.366 -5.231 1.00 6.32 H new ATOM 0 HB3 PRO A 27 -21.034 9.039 -4.827 1.00 6.32 H new ATOM 0 HG2 PRO A 27 -19.686 7.947 -7.353 1.00 6.33 H new ATOM 0 HG3 PRO A 27 -20.972 9.133 -7.246 1.00 6.33 H new ATOM 0 HD2 PRO A 27 -18.340 9.895 -7.468 1.00 5.60 H new ATOM 0 HD3 PRO A 27 -19.504 10.871 -6.595 1.00 5.60 H new ATOM 369 N VAL A 28 -16.815 7.298 -4.303 1.00 3.89 N ATOM 370 CA VAL A 28 -15.803 6.232 -4.397 1.00 3.22 C ATOM 371 C VAL A 28 -15.168 6.037 -3.021 1.00 3.28 C ATOM 372 O VAL A 28 -14.820 7.015 -2.353 1.00 3.71 O ATOM 373 CB VAL A 28 -14.708 6.586 -5.434 1.00 2.90 C ATOM 374 CG1 VAL A 28 -13.671 5.458 -5.578 1.00 3.68 C ATOM 375 CG2 VAL A 28 -15.321 6.843 -6.818 1.00 3.12 C ATOM 0 H VAL A 28 -16.475 8.119 -3.801 1.00 3.89 H new ATOM 0 HA VAL A 28 -16.288 5.313 -4.726 1.00 3.22 H new ATOM 0 HB VAL A 28 -14.218 7.487 -5.065 1.00 2.90 H new ATOM 0 HG11 VAL A 28 -12.921 5.745 -6.314 1.00 3.68 H new ATOM 0 HG12 VAL A 28 -13.188 5.283 -4.617 1.00 3.68 H new ATOM 0 HG13 VAL A 28 -14.169 4.545 -5.905 1.00 3.68 H new ATOM 0 HG21 VAL A 28 -14.530 7.089 -7.526 1.00 3.12 H new ATOM 0 HG22 VAL A 28 -15.845 5.949 -7.156 1.00 3.12 H new ATOM 0 HG23 VAL A 28 -16.024 7.674 -6.756 1.00 3.12 H new ATOM 385 N THR A 29 -15.022 4.776 -2.595 1.00 3.09 N ATOM 386 CA THR A 29 -14.416 4.441 -1.303 1.00 3.17 C ATOM 387 C THR A 29 -12.900 4.524 -1.444 1.00 2.47 C ATOM 388 O THR A 29 -12.311 3.946 -2.353 1.00 2.38 O ATOM 389 CB THR A 29 -14.848 3.056 -0.813 1.00 3.66 C ATOM 390 OG1 THR A 29 -16.223 2.850 -1.061 1.00 4.31 O ATOM 391 CG2 THR A 29 -14.614 2.885 0.689 1.00 4.49 C ATOM 0 H THR A 29 -15.320 3.963 -3.135 1.00 3.09 H new ATOM 0 HA THR A 29 -14.759 5.154 -0.553 1.00 3.17 H new ATOM 0 HB THR A 29 -14.244 2.331 -1.358 1.00 3.66 H new ATOM 0 HG1 THR A 29 -16.483 1.960 -0.744 1.00 4.31 H new ATOM 0 HG21 THR A 29 -14.934 1.889 0.996 1.00 4.49 H new ATOM 0 HG22 THR A 29 -13.554 3.009 0.909 1.00 4.49 H new ATOM 0 HG23 THR A 29 -15.188 3.634 1.234 1.00 4.49 H new ATOM 399 N VAL A 30 -12.283 5.260 -0.532 1.00 2.69 N ATOM 400 CA VAL A 30 -10.858 5.593 -0.562 1.00 2.70 C ATOM 401 C VAL A 30 -10.044 4.416 -0.027 1.00 1.95 C ATOM 402 O VAL A 30 -10.327 3.889 1.045 1.00 2.35 O ATOM 403 CB VAL A 30 -10.557 6.926 0.165 1.00 4.14 C ATOM 404 CG1 VAL A 30 -10.945 6.932 1.655 1.00 5.53 C ATOM 405 CG2 VAL A 30 -9.077 7.316 0.008 1.00 4.71 C ATOM 0 H VAL A 30 -12.769 5.655 0.273 1.00 2.69 H new ATOM 0 HA VAL A 30 -10.555 5.761 -1.595 1.00 2.70 H new ATOM 0 HB VAL A 30 -11.190 7.668 -0.322 1.00 4.14 H new ATOM 0 HG11 VAL A 30 -10.702 7.901 2.090 1.00 5.53 H new ATOM 0 HG12 VAL A 30 -12.015 6.748 1.753 1.00 5.53 H new ATOM 0 HG13 VAL A 30 -10.393 6.151 2.178 1.00 5.53 H new ATOM 0 HG21 VAL A 30 -8.891 8.256 0.528 1.00 4.71 H new ATOM 0 HG22 VAL A 30 -8.448 6.535 0.435 1.00 4.71 H new ATOM 0 HG23 VAL A 30 -8.842 7.434 -1.050 1.00 4.71 H new ATOM 415 N GLN A 31 -9.032 4.017 -0.799 1.00 1.65 N ATOM 416 CA GLN A 31 -8.195 2.836 -0.562 1.00 1.77 C ATOM 417 C GLN A 31 -7.342 2.872 0.712 1.00 2.03 C ATOM 418 O GLN A 31 -6.802 1.838 1.099 1.00 3.37 O ATOM 419 CB GLN A 31 -7.335 2.623 -1.820 1.00 2.39 C ATOM 420 CG GLN A 31 -6.247 3.688 -2.027 1.00 2.35 C ATOM 421 CD GLN A 31 -5.840 3.759 -3.493 1.00 2.76 C ATOM 422 OE1 GLN A 31 -6.089 4.729 -4.184 1.00 3.99 O ATOM 423 NE2 GLN A 31 -5.239 2.732 -4.046 1.00 2.30 N ATOM 0 H GLN A 31 -8.761 4.527 -1.640 1.00 1.65 H new ATOM 0 HA GLN A 31 -8.861 1.992 -0.381 1.00 1.77 H new ATOM 0 HB2 GLN A 31 -6.862 1.643 -1.761 1.00 2.39 H new ATOM 0 HB3 GLN A 31 -7.986 2.611 -2.694 1.00 2.39 H new ATOM 0 HG2 GLN A 31 -6.615 4.660 -1.698 1.00 2.35 H new ATOM 0 HG3 GLN A 31 -5.378 3.452 -1.413 1.00 2.35 H new ATOM 0 HE21 GLN A 31 -5.020 1.908 -3.487 1.00 2.30 H new ATOM 0 HE22 GLN A 31 -4.991 2.758 -5.035 1.00 2.30 H new ATOM 432 N GLY A 32 -7.235 4.048 1.349 1.00 1.62 N ATOM 433 CA GLY A 32 -6.959 4.215 2.781 1.00 1.66 C ATOM 434 C GLY A 32 -5.756 3.427 3.287 1.00 1.75 C ATOM 435 O GLY A 32 -5.938 2.587 4.167 1.00 3.01 O ATOM 0 H GLY A 32 -7.342 4.938 0.863 1.00 1.62 H new ATOM 0 HA2 GLY A 32 -6.797 5.273 2.986 1.00 1.66 H new ATOM 0 HA3 GLY A 32 -7.840 3.912 3.346 1.00 1.66 H new ATOM 439 N ALA A 33 -4.567 3.702 2.729 1.00 1.30 N ATOM 440 CA ALA A 33 -3.311 2.968 2.940 1.00 1.31 C ATOM 441 C ALA A 33 -3.146 2.496 4.394 1.00 1.24 C ATOM 442 O ALA A 33 -2.854 3.291 5.293 1.00 1.39 O ATOM 443 CB ALA A 33 -2.146 3.857 2.474 1.00 1.65 C ATOM 0 H ALA A 33 -4.450 4.484 2.084 1.00 1.30 H new ATOM 0 HA ALA A 33 -3.323 2.053 2.347 1.00 1.31 H new ATOM 0 HB1 ALA A 33 -1.204 3.330 2.623 1.00 1.65 H new ATOM 0 HB2 ALA A 33 -2.268 4.092 1.417 1.00 1.65 H new ATOM 0 HB3 ALA A 33 -2.140 4.781 3.052 1.00 1.65 H new ATOM 449 N THR A 34 -3.414 1.204 4.610 1.00 1.17 N ATOM 450 CA THR A 34 -3.705 0.633 5.924 1.00 1.05 C ATOM 451 C THR A 34 -2.461 -0.037 6.466 1.00 0.90 C ATOM 452 O THR A 34 -1.892 -0.893 5.800 1.00 1.13 O ATOM 453 CB THR A 34 -4.836 -0.395 5.868 1.00 1.32 C ATOM 454 OG1 THR A 34 -5.840 -0.010 4.962 1.00 1.83 O ATOM 455 CG2 THR A 34 -5.482 -0.562 7.239 1.00 1.42 C ATOM 0 H THR A 34 -3.434 0.514 3.859 1.00 1.17 H new ATOM 0 HA THR A 34 -4.022 1.449 6.574 1.00 1.05 H new ATOM 0 HB THR A 34 -4.389 -1.334 5.541 1.00 1.32 H new ATOM 0 HG1 THR A 34 -5.837 0.965 4.865 1.00 1.83 H new ATOM 0 HG21 THR A 34 -6.284 -1.298 7.176 1.00 1.42 H new ATOM 0 HG22 THR A 34 -4.733 -0.901 7.955 1.00 1.42 H new ATOM 0 HG23 THR A 34 -5.891 0.393 7.567 1.00 1.42 H new ATOM 463 N VAL A 35 -2.069 0.322 7.679 1.00 0.69 N ATOM 464 CA VAL A 35 -0.913 -0.269 8.376 1.00 0.68 C ATOM 465 C VAL A 35 -1.369 -1.390 9.325 1.00 0.69 C ATOM 466 O VAL A 35 -2.425 -1.311 9.961 1.00 0.69 O ATOM 467 CB VAL A 35 -0.102 0.800 9.143 1.00 0.74 C ATOM 468 CG1 VAL A 35 1.229 0.253 9.690 1.00 1.04 C ATOM 469 CG2 VAL A 35 0.211 2.040 8.279 1.00 0.86 C ATOM 0 H VAL A 35 -2.545 1.041 8.223 1.00 0.69 H new ATOM 0 HA VAL A 35 -0.256 -0.699 7.620 1.00 0.68 H new ATOM 0 HB VAL A 35 -0.746 1.089 9.974 1.00 0.74 H new ATOM 0 HG11 VAL A 35 1.758 1.045 10.220 1.00 1.04 H new ATOM 0 HG12 VAL A 35 1.030 -0.571 10.375 1.00 1.04 H new ATOM 0 HG13 VAL A 35 1.843 -0.103 8.863 1.00 1.04 H new ATOM 0 HG21 VAL A 35 0.782 2.758 8.867 1.00 0.86 H new ATOM 0 HG22 VAL A 35 0.794 1.739 7.408 1.00 0.86 H new ATOM 0 HG23 VAL A 35 -0.721 2.499 7.951 1.00 0.86 H new ATOM 479 N ALA A 36 -0.554 -2.438 9.458 1.00 0.82 N ATOM 480 CA ALA A 36 -0.724 -3.491 10.458 1.00 0.92 C ATOM 481 C ALA A 36 -0.076 -3.104 11.804 1.00 1.03 C ATOM 482 O ALA A 36 1.126 -3.278 11.987 1.00 1.60 O ATOM 483 CB ALA A 36 -0.170 -4.808 9.896 1.00 1.03 C ATOM 0 H ALA A 36 0.260 -2.580 8.860 1.00 0.82 H new ATOM 0 HA ALA A 36 -1.785 -3.625 10.668 1.00 0.92 H new ATOM 0 HB1 ALA A 36 -0.293 -5.599 10.636 1.00 1.03 H new ATOM 0 HB2 ALA A 36 -0.712 -5.073 8.988 1.00 1.03 H new ATOM 0 HB3 ALA A 36 0.888 -4.688 9.665 1.00 1.03 H new ATOM 489 N ALA A 37 -0.907 -2.612 12.729 1.00 0.82 N ATOM 490 CA ALA A 37 -0.581 -2.290 14.129 1.00 0.94 C ATOM 491 C ALA A 37 0.280 -3.332 14.855 1.00 1.11 C ATOM 492 O ALA A 37 0.178 -4.525 14.567 1.00 1.19 O ATOM 493 CB ALA A 37 -1.881 -2.140 14.928 1.00 1.03 C ATOM 0 H ALA A 37 -1.884 -2.415 12.511 1.00 0.82 H new ATOM 0 HA ALA A 37 0.003 -1.371 14.079 1.00 0.94 H new ATOM 0 HB1 ALA A 37 -1.645 -1.902 15.965 1.00 1.03 H new ATOM 0 HB2 ALA A 37 -2.481 -1.338 14.499 1.00 1.03 H new ATOM 0 HB3 ALA A 37 -2.442 -3.074 14.889 1.00 1.03 H new ATOM 499 N VAL A 38 1.054 -2.880 15.836 1.00 1.37 N ATOM 500 CA VAL A 38 1.906 -3.733 16.674 1.00 1.66 C ATOM 501 C VAL A 38 2.134 -3.085 18.053 1.00 1.94 C ATOM 502 O VAL A 38 2.205 -1.854 18.138 1.00 2.00 O ATOM 503 CB VAL A 38 3.280 -4.035 16.016 1.00 1.85 C ATOM 504 CG1 VAL A 38 3.186 -4.958 14.790 1.00 1.86 C ATOM 505 CG2 VAL A 38 4.069 -2.767 15.640 1.00 3.05 C ATOM 0 H VAL A 38 1.112 -1.891 16.080 1.00 1.37 H new ATOM 0 HA VAL A 38 1.376 -4.678 16.790 1.00 1.66 H new ATOM 0 HB VAL A 38 3.828 -4.563 16.797 1.00 1.85 H new ATOM 0 HG11 VAL A 38 4.183 -5.125 14.383 1.00 1.86 H new ATOM 0 HG12 VAL A 38 2.750 -5.912 15.086 1.00 1.86 H new ATOM 0 HG13 VAL A 38 2.558 -4.492 14.031 1.00 1.86 H new ATOM 0 HG21 VAL A 38 5.018 -3.051 15.185 1.00 3.05 H new ATOM 0 HG22 VAL A 38 3.490 -2.175 14.931 1.00 3.05 H new ATOM 0 HG23 VAL A 38 4.258 -2.177 16.537 1.00 3.05 H new ATOM 515 N PRO A 39 2.312 -3.889 19.121 1.00 2.15 N ATOM 516 CA PRO A 39 2.651 -3.410 20.461 1.00 2.42 C ATOM 517 C PRO A 39 4.088 -2.847 20.531 1.00 2.55 C ATOM 518 O PRO A 39 4.861 -3.031 19.584 1.00 2.55 O ATOM 519 CB PRO A 39 2.464 -4.635 21.372 1.00 2.56 C ATOM 520 CG PRO A 39 2.746 -5.817 20.450 1.00 2.41 C ATOM 521 CD PRO A 39 2.176 -5.340 19.120 1.00 2.14 C ATOM 0 HA PRO A 39 2.018 -2.577 20.766 1.00 2.42 H new ATOM 0 HB2 PRO A 39 3.151 -4.614 22.218 1.00 2.56 H new ATOM 0 HB3 PRO A 39 1.455 -4.679 21.782 1.00 2.56 H new ATOM 0 HG2 PRO A 39 3.812 -6.032 20.381 1.00 2.41 H new ATOM 0 HG3 PRO A 39 2.259 -6.728 20.797 1.00 2.41 H new ATOM 0 HD2 PRO A 39 2.717 -5.782 18.283 1.00 2.14 H new ATOM 0 HD3 PRO A 39 1.132 -5.634 19.015 1.00 2.14 H new ATOM 529 N PRO A 40 4.472 -2.190 21.650 1.00 2.73 N ATOM 530 CA PRO A 40 5.828 -1.690 21.872 1.00 2.88 C ATOM 531 C PRO A 40 6.890 -2.795 21.826 1.00 2.84 C ATOM 532 O PRO A 40 6.599 -3.975 21.999 1.00 3.37 O ATOM 533 CB PRO A 40 5.805 -0.944 23.211 1.00 3.09 C ATOM 534 CG PRO A 40 4.605 -1.547 23.936 1.00 3.05 C ATOM 535 CD PRO A 40 3.636 -1.834 22.792 1.00 2.88 C ATOM 0 HA PRO A 40 6.119 -1.018 21.065 1.00 2.88 H new ATOM 0 HB2 PRO A 40 6.729 -1.095 23.770 1.00 3.09 H new ATOM 0 HB3 PRO A 40 5.690 0.131 23.070 1.00 3.09 H new ATOM 0 HG2 PRO A 40 4.873 -2.454 24.478 1.00 3.05 H new ATOM 0 HG3 PRO A 40 4.181 -0.855 24.663 1.00 3.05 H new ATOM 0 HD2 PRO A 40 2.956 -2.646 23.049 1.00 2.88 H new ATOM 0 HD3 PRO A 40 3.021 -0.962 22.571 1.00 2.88 H new ATOM 543 N SER A 41 8.126 -2.379 21.541 1.00 3.06 N ATOM 544 CA SER A 41 9.331 -3.193 21.309 1.00 3.22 C ATOM 545 C SER A 41 9.383 -3.862 19.918 1.00 3.06 C ATOM 546 O SER A 41 10.376 -4.513 19.590 1.00 3.13 O ATOM 547 CB SER A 41 9.577 -4.215 22.433 1.00 3.49 C ATOM 548 OG SER A 41 10.908 -4.707 22.342 1.00 3.74 O ATOM 0 H SER A 41 8.331 -1.383 21.459 1.00 3.06 H new ATOM 0 HA SER A 41 10.153 -2.477 21.326 1.00 3.22 H new ATOM 0 HB2 SER A 41 9.416 -3.749 23.405 1.00 3.49 H new ATOM 0 HB3 SER A 41 8.867 -5.038 22.353 1.00 3.49 H new ATOM 0 HG SER A 41 11.152 -4.817 21.399 1.00 3.74 H new ATOM 554 N ILE A 42 8.348 -3.702 19.088 1.00 2.90 N ATOM 555 CA ILE A 42 8.299 -4.177 17.693 1.00 2.78 C ATOM 556 C ILE A 42 8.686 -3.041 16.724 1.00 2.62 C ATOM 557 O ILE A 42 8.413 -1.874 17.000 1.00 2.94 O ATOM 558 CB ILE A 42 6.906 -4.776 17.376 1.00 2.86 C ATOM 559 CG1 ILE A 42 6.415 -5.812 18.421 1.00 3.17 C ATOM 560 CG2 ILE A 42 6.883 -5.414 15.971 1.00 2.70 C ATOM 561 CD1 ILE A 42 7.314 -7.042 18.611 1.00 3.28 C ATOM 0 H ILE A 42 7.493 -3.224 19.372 1.00 2.90 H new ATOM 0 HA ILE A 42 9.029 -4.975 17.559 1.00 2.78 H new ATOM 0 HB ILE A 42 6.217 -3.933 17.415 1.00 2.86 H new ATOM 0 HG12 ILE A 42 6.310 -5.309 19.382 1.00 3.17 H new ATOM 0 HG13 ILE A 42 5.421 -6.152 18.129 1.00 3.17 H new ATOM 0 HG21 ILE A 42 5.893 -5.827 15.775 1.00 2.70 H new ATOM 0 HG22 ILE A 42 7.115 -4.656 15.223 1.00 2.70 H new ATOM 0 HG23 ILE A 42 7.625 -6.211 15.921 1.00 2.70 H new ATOM 0 HD11 ILE A 42 6.877 -7.699 19.363 1.00 3.28 H new ATOM 0 HD12 ILE A 42 7.401 -7.579 17.666 1.00 3.28 H new ATOM 0 HD13 ILE A 42 8.303 -6.723 18.939 1.00 3.28 H new ATOM 573 N ARG A 43 9.320 -3.383 15.592 1.00 2.26 N ATOM 574 CA ARG A 43 9.857 -2.425 14.600 1.00 2.11 C ATOM 575 C ARG A 43 9.610 -2.805 13.128 1.00 1.91 C ATOM 576 O ARG A 43 10.188 -2.194 12.231 1.00 1.93 O ATOM 577 CB ARG A 43 11.346 -2.151 14.905 1.00 2.28 C ATOM 578 CG ARG A 43 11.498 -1.176 16.087 1.00 4.25 C ATOM 579 CD ARG A 43 12.863 -0.478 16.130 1.00 4.71 C ATOM 580 NE ARG A 43 13.952 -1.368 16.567 1.00 4.98 N ATOM 581 CZ ARG A 43 15.130 -1.528 15.963 1.00 4.96 C ATOM 582 NH1 ARG A 43 15.404 -1.096 14.749 1.00 4.95 N ATOM 583 NH2 ARG A 43 16.098 -2.156 16.592 1.00 5.67 N ATOM 0 H ARG A 43 9.480 -4.356 15.330 1.00 2.26 H new ATOM 0 HA ARG A 43 9.289 -1.502 14.713 1.00 2.11 H new ATOM 0 HB2 ARG A 43 11.852 -3.089 15.135 1.00 2.28 H new ATOM 0 HB3 ARG A 43 11.831 -1.735 14.022 1.00 2.28 H new ATOM 0 HG2 ARG A 43 10.714 -0.421 16.029 1.00 4.25 H new ATOM 0 HG3 ARG A 43 11.347 -1.721 17.019 1.00 4.25 H new ATOM 0 HD2 ARG A 43 13.096 -0.087 15.140 1.00 4.71 H new ATOM 0 HD3 ARG A 43 12.807 0.376 16.805 1.00 4.71 H new ATOM 0 HE ARG A 43 13.790 -1.914 17.413 1.00 4.98 H new ATOM 0 HH11 ARG A 43 14.692 -0.604 14.210 1.00 4.95 H new ATOM 0 HH12 ARG A 43 16.329 -1.254 14.348 1.00 4.95 H new ATOM 0 HH21 ARG A 43 15.945 -2.516 17.534 1.00 5.67 H new ATOM 0 HH22 ARG A 43 17.003 -2.283 16.138 1.00 5.67 H new ATOM 597 N ASP A 44 8.712 -3.754 12.866 1.00 1.80 N ATOM 598 CA ASP A 44 8.244 -4.143 11.530 1.00 1.77 C ATOM 599 C ASP A 44 6.712 -4.042 11.459 1.00 1.79 C ATOM 600 O ASP A 44 6.036 -4.308 12.455 1.00 2.13 O ATOM 601 CB ASP A 44 8.634 -5.601 11.223 1.00 1.84 C ATOM 602 CG ASP A 44 10.119 -5.876 10.962 1.00 1.78 C ATOM 603 OD1 ASP A 44 10.947 -4.930 11.021 1.00 2.90 O ATOM 604 OD2 ASP A 44 10.409 -7.046 10.656 1.00 1.95 O ATOM 0 H ASP A 44 8.270 -4.297 13.608 1.00 1.80 H new ATOM 0 HA ASP A 44 8.707 -3.472 10.806 1.00 1.77 H new ATOM 0 HB2 ASP A 44 8.315 -6.222 12.060 1.00 1.84 H new ATOM 0 HB3 ASP A 44 8.069 -5.928 10.350 1.00 1.84 H new ATOM 609 N THR A 45 6.159 -3.715 10.280 1.00 1.44 N ATOM 610 CA THR A 45 4.707 -3.789 10.010 1.00 1.29 C ATOM 611 C THR A 45 4.437 -4.243 8.582 1.00 0.89 C ATOM 612 O THR A 45 5.191 -3.904 7.675 1.00 1.03 O ATOM 613 CB THR A 45 3.981 -2.453 10.255 1.00 1.49 C ATOM 614 OG1 THR A 45 4.464 -1.506 9.340 1.00 2.77 O ATOM 615 CG2 THR A 45 4.151 -1.889 11.664 1.00 1.74 C ATOM 0 H THR A 45 6.705 -3.390 9.482 1.00 1.44 H new ATOM 0 HA THR A 45 4.313 -4.521 10.715 1.00 1.29 H new ATOM 0 HB THR A 45 2.918 -2.656 10.127 1.00 1.49 H new ATOM 0 HG1 THR A 45 4.009 -0.650 9.484 1.00 2.77 H new ATOM 0 HG21 THR A 45 3.607 -0.948 11.747 1.00 1.74 H new ATOM 0 HG22 THR A 45 3.759 -2.601 12.391 1.00 1.74 H new ATOM 0 HG23 THR A 45 5.209 -1.715 11.861 1.00 1.74 H new ATOM 623 N ALA A 46 3.318 -4.915 8.348 1.00 0.91 N ATOM 624 CA ALA A 46 2.756 -5.035 7.007 1.00 0.99 C ATOM 625 C ALA A 46 1.920 -3.788 6.679 1.00 0.84 C ATOM 626 O ALA A 46 1.517 -3.042 7.575 1.00 1.09 O ATOM 627 CB ALA A 46 1.934 -6.327 6.923 1.00 1.33 C ATOM 0 H ALA A 46 2.778 -5.388 9.073 1.00 0.91 H new ATOM 0 HA ALA A 46 3.550 -5.094 6.263 1.00 0.99 H new ATOM 0 HB1 ALA A 46 1.510 -6.424 5.923 1.00 1.33 H new ATOM 0 HB2 ALA A 46 2.578 -7.182 7.129 1.00 1.33 H new ATOM 0 HB3 ALA A 46 1.129 -6.294 7.657 1.00 1.33 H new ATOM 633 N ALA A 47 1.615 -3.597 5.398 1.00 0.90 N ATOM 634 CA ALA A 47 0.599 -2.648 4.951 1.00 0.84 C ATOM 635 C ALA A 47 -0.172 -3.159 3.720 1.00 0.92 C ATOM 636 O ALA A 47 0.276 -4.069 3.016 1.00 1.20 O ATOM 637 CB ALA A 47 1.232 -1.260 4.753 1.00 0.94 C ATOM 0 H ALA A 47 2.069 -4.100 4.636 1.00 0.90 H new ATOM 0 HA ALA A 47 -0.159 -2.549 5.728 1.00 0.84 H new ATOM 0 HB1 ALA A 47 0.469 -0.556 4.420 1.00 0.94 H new ATOM 0 HB2 ALA A 47 1.656 -0.916 5.696 1.00 0.94 H new ATOM 0 HB3 ALA A 47 2.020 -1.323 4.003 1.00 0.94 H new ATOM 643 N TYR A 48 -1.354 -2.574 3.509 1.00 0.95 N ATOM 644 CA TYR A 48 -2.424 -3.032 2.610 1.00 1.04 C ATOM 645 C TYR A 48 -3.258 -1.851 2.055 1.00 1.04 C ATOM 646 O TYR A 48 -3.163 -0.734 2.565 1.00 1.43 O ATOM 647 CB TYR A 48 -3.344 -3.981 3.403 1.00 1.29 C ATOM 648 CG TYR A 48 -2.670 -5.182 4.047 1.00 1.63 C ATOM 649 CD1 TYR A 48 -2.009 -6.150 3.264 1.00 3.09 C ATOM 650 CD2 TYR A 48 -2.696 -5.324 5.449 1.00 2.06 C ATOM 651 CE1 TYR A 48 -1.371 -7.245 3.876 1.00 3.92 C ATOM 652 CE2 TYR A 48 -2.067 -6.423 6.065 1.00 2.77 C ATOM 653 CZ TYR A 48 -1.398 -7.385 5.279 1.00 3.46 C ATOM 654 OH TYR A 48 -0.788 -8.449 5.867 1.00 4.47 O ATOM 0 H TYR A 48 -1.608 -1.712 3.991 1.00 0.95 H new ATOM 0 HA TYR A 48 -1.972 -3.540 1.759 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -3.839 -3.405 4.185 1.00 1.29 H new ATOM 0 HB3 TYR A 48 -4.123 -4.343 2.732 1.00 1.29 H new ATOM 0 HD1 TYR A 48 -1.992 -6.051 2.189 1.00 3.09 H new ATOM 0 HD2 TYR A 48 -3.201 -4.586 6.054 1.00 2.06 H new ATOM 0 HE1 TYR A 48 -0.860 -7.979 3.270 1.00 3.92 H new ATOM 0 HE2 TYR A 48 -2.097 -6.530 7.139 1.00 2.77 H new ATOM 0 HH TYR A 48 -0.900 -8.394 6.839 1.00 4.47 H new ATOM 664 N MET A 49 -4.107 -2.095 1.045 1.00 0.87 N ATOM 665 CA MET A 49 -5.089 -1.137 0.484 1.00 1.08 C ATOM 666 C MET A 49 -6.066 -1.811 -0.498 1.00 1.05 C ATOM 667 O MET A 49 -5.795 -2.923 -0.951 1.00 1.18 O ATOM 668 CB MET A 49 -4.412 0.084 -0.178 1.00 1.42 C ATOM 669 CG MET A 49 -3.522 -0.249 -1.378 1.00 2.94 C ATOM 670 SD MET A 49 -2.960 1.220 -2.274 1.00 4.26 S ATOM 671 CE MET A 49 -1.784 0.441 -3.412 1.00 6.16 C ATOM 0 H MET A 49 -4.134 -2.999 0.574 1.00 0.87 H new ATOM 0 HA MET A 49 -5.666 -0.774 1.334 1.00 1.08 H new ATOM 0 HB2 MET A 49 -5.186 0.781 -0.500 1.00 1.42 H new ATOM 0 HB3 MET A 49 -3.810 0.599 0.571 1.00 1.42 H new ATOM 0 HG2 MET A 49 -2.654 -0.812 -1.034 1.00 2.94 H new ATOM 0 HG3 MET A 49 -4.071 -0.896 -2.062 1.00 2.94 H new ATOM 0 HE1 MET A 49 -1.700 1.043 -4.317 1.00 6.16 H new ATOM 0 HE2 MET A 49 -0.808 0.368 -2.933 1.00 6.16 H new ATOM 0 HE3 MET A 49 -2.136 -0.557 -3.672 1.00 6.16 H new ATOM 681 N THR A 50 -7.153 -1.116 -0.879 1.00 1.11 N ATOM 682 CA THR A 50 -8.142 -1.589 -1.877 1.00 1.13 C ATOM 683 C THR A 50 -8.721 -0.421 -2.673 1.00 1.26 C ATOM 684 O THR A 50 -9.406 0.409 -2.083 1.00 1.71 O ATOM 685 CB THR A 50 -9.325 -2.284 -1.182 1.00 1.39 C ATOM 686 OG1 THR A 50 -8.903 -3.222 -0.225 1.00 2.16 O ATOM 687 CG2 THR A 50 -10.198 -3.034 -2.192 1.00 1.64 C ATOM 0 H THR A 50 -7.376 -0.196 -0.499 1.00 1.11 H new ATOM 0 HA THR A 50 -7.616 -2.279 -2.537 1.00 1.13 H new ATOM 0 HB THR A 50 -9.889 -1.488 -0.696 1.00 1.39 H new ATOM 0 HG1 THR A 50 -9.686 -3.638 0.192 1.00 2.16 H new ATOM 0 HG21 THR A 50 -11.026 -3.515 -1.671 1.00 1.64 H new ATOM 0 HG22 THR A 50 -10.591 -2.331 -2.926 1.00 1.64 H new ATOM 0 HG23 THR A 50 -9.599 -3.791 -2.699 1.00 1.64 H new ATOM 695 N LEU A 51 -8.528 -0.336 -3.997 1.00 1.23 N ATOM 696 CA LEU A 51 -9.218 0.688 -4.807 1.00 1.38 C ATOM 697 C LEU A 51 -10.470 0.108 -5.485 1.00 1.30 C ATOM 698 O LEU A 51 -10.428 -0.384 -6.619 1.00 1.74 O ATOM 699 CB LEU A 51 -8.265 1.410 -5.778 1.00 1.76 C ATOM 700 CG LEU A 51 -8.550 2.922 -5.876 1.00 2.52 C ATOM 701 CD1 LEU A 51 -7.564 3.539 -6.871 1.00 3.45 C ATOM 702 CD2 LEU A 51 -9.995 3.257 -6.278 1.00 3.48 C ATOM 0 H LEU A 51 -7.911 -0.952 -4.527 1.00 1.23 H new ATOM 0 HA LEU A 51 -9.569 1.467 -4.130 1.00 1.38 H new ATOM 0 HB2 LEU A 51 -7.236 1.259 -5.451 1.00 1.76 H new ATOM 0 HB3 LEU A 51 -8.354 0.963 -6.768 1.00 1.76 H new ATOM 0 HG LEU A 51 -8.419 3.344 -4.880 1.00 2.52 H new ATOM 0 HD11 LEU A 51 -7.752 4.610 -6.953 1.00 3.45 H new ATOM 0 HD12 LEU A 51 -6.544 3.375 -6.522 1.00 3.45 H new ATOM 0 HD13 LEU A 51 -7.693 3.073 -7.848 1.00 3.45 H new ATOM 0 HD21 LEU A 51 -10.118 4.339 -6.326 1.00 3.48 H new ATOM 0 HD22 LEU A 51 -10.211 2.824 -7.255 1.00 3.48 H new ATOM 0 HD23 LEU A 51 -10.683 2.846 -5.539 1.00 3.48 H new ATOM 714 N THR A 52 -11.586 0.204 -4.753 1.00 1.57 N ATOM 715 CA THR A 52 -12.947 -0.137 -5.190 1.00 1.76 C ATOM 716 C THR A 52 -13.392 0.760 -6.349 1.00 1.71 C ATOM 717 O THR A 52 -13.123 1.956 -6.341 1.00 1.78 O ATOM 718 CB THR A 52 -13.898 -0.073 -3.973 1.00 2.09 C ATOM 719 OG1 THR A 52 -14.653 -1.262 -3.968 1.00 2.63 O ATOM 720 CG2 THR A 52 -14.855 1.121 -3.903 1.00 2.42 C ATOM 0 H THR A 52 -11.564 0.539 -3.790 1.00 1.57 H new ATOM 0 HA THR A 52 -12.971 -1.155 -5.579 1.00 1.76 H new ATOM 0 HB THR A 52 -13.254 0.052 -3.102 1.00 2.09 H new ATOM 0 HG1 THR A 52 -15.268 -1.256 -3.205 1.00 2.63 H new ATOM 0 HG21 THR A 52 -15.465 1.046 -3.003 1.00 2.42 H new ATOM 0 HG22 THR A 52 -14.280 2.047 -3.875 1.00 2.42 H new ATOM 0 HG23 THR A 52 -15.501 1.121 -4.781 1.00 2.42 H new ATOM 728 N ASN A 53 -14.085 0.191 -7.340 1.00 2.07 N ATOM 729 CA ASN A 53 -14.752 0.924 -8.429 1.00 2.16 C ATOM 730 C ASN A 53 -16.242 0.553 -8.481 1.00 2.38 C ATOM 731 O ASN A 53 -16.589 -0.625 -8.466 1.00 2.68 O ATOM 732 CB ASN A 53 -14.134 0.606 -9.809 1.00 2.40 C ATOM 733 CG ASN A 53 -12.782 1.237 -10.108 1.00 1.95 C ATOM 734 OD1 ASN A 53 -11.792 1.098 -9.253 1.00 2.60 O flip ATOM 735 ND2 ASN A 53 -12.604 1.842 -11.152 1.00 3.09 N flip ATOM 0 H ASN A 53 -14.203 -0.820 -7.412 1.00 2.07 H new ATOM 0 HA ASN A 53 -14.621 1.985 -8.219 1.00 2.16 H new ATOM 0 HB2 ASN A 53 -14.033 -0.476 -9.897 1.00 2.40 H new ATOM 0 HB3 ASN A 53 -14.837 0.924 -10.579 1.00 2.40 H new ATOM 0 HD21 ASN A 53 -13.371 1.950 -11.816 1.00 3.09 H new ATOM 0 HD22 ASN A 53 -11.688 2.239 -11.361 1.00 3.09 H new ATOM 742 N LYS A 54 -17.119 1.555 -8.622 1.00 2.37 N ATOM 743 CA LYS A 54 -18.590 1.389 -8.649 1.00 2.65 C ATOM 744 C LYS A 54 -19.255 2.350 -9.670 1.00 2.58 C ATOM 745 O LYS A 54 -20.224 3.045 -9.378 1.00 2.88 O ATOM 746 CB LYS A 54 -19.118 1.517 -7.192 1.00 3.09 C ATOM 747 CG LYS A 54 -19.989 0.318 -6.770 1.00 3.77 C ATOM 748 CD LYS A 54 -20.424 0.453 -5.299 1.00 4.29 C ATOM 749 CE LYS A 54 -20.948 -0.856 -4.686 1.00 5.21 C ATOM 750 NZ LYS A 54 -22.224 -1.320 -5.272 1.00 5.38 N ATOM 0 H LYS A 54 -16.826 2.527 -8.723 1.00 2.37 H new ATOM 0 HA LYS A 54 -18.865 0.398 -9.011 1.00 2.65 H new ATOM 0 HB2 LYS A 54 -18.273 1.605 -6.510 1.00 3.09 H new ATOM 0 HB3 LYS A 54 -19.700 2.434 -7.099 1.00 3.09 H new ATOM 0 HG2 LYS A 54 -20.869 0.258 -7.411 1.00 3.77 H new ATOM 0 HG3 LYS A 54 -19.432 -0.609 -6.906 1.00 3.77 H new ATOM 0 HD2 LYS A 54 -19.577 0.806 -4.710 1.00 4.29 H new ATOM 0 HD3 LYS A 54 -21.201 1.214 -5.228 1.00 4.29 H new ATOM 0 HE2 LYS A 54 -20.195 -1.634 -4.815 1.00 5.21 H new ATOM 0 HE3 LYS A 54 -21.081 -0.716 -3.613 1.00 5.21 H new ATOM 0 HZ1 LYS A 54 -22.516 -2.205 -4.811 1.00 5.38 H new ATOM 0 HZ2 LYS A 54 -22.956 -0.596 -5.126 1.00 5.38 H new ATOM 0 HZ3 LYS A 54 -22.098 -1.485 -6.291 1.00 5.38 H new ATOM 764 N SER A 55 -18.662 2.446 -10.858 1.00 2.37 N ATOM 765 CA SER A 55 -18.946 3.357 -11.986 1.00 2.34 C ATOM 766 C SER A 55 -17.854 3.071 -13.035 1.00 2.33 C ATOM 767 O SER A 55 -17.602 1.900 -13.294 1.00 3.12 O ATOM 768 CB SER A 55 -19.015 4.840 -11.563 1.00 2.49 C ATOM 769 OG SER A 55 -20.225 5.175 -10.919 1.00 2.97 O ATOM 0 H SER A 55 -17.886 1.825 -11.087 1.00 2.37 H new ATOM 0 HA SER A 55 -19.938 3.173 -12.399 1.00 2.34 H new ATOM 0 HB2 SER A 55 -18.182 5.061 -10.896 1.00 2.49 H new ATOM 0 HB3 SER A 55 -18.893 5.469 -12.445 1.00 2.49 H new ATOM 0 HG SER A 55 -20.358 4.587 -10.146 1.00 2.97 H new ATOM 775 N ASP A 56 -17.161 4.078 -13.579 1.00 1.96 N ATOM 776 CA ASP A 56 -16.074 3.937 -14.559 1.00 1.97 C ATOM 777 C ASP A 56 -15.042 5.054 -14.285 1.00 2.10 C ATOM 778 O ASP A 56 -15.243 6.190 -14.710 1.00 2.71 O ATOM 779 CB ASP A 56 -16.726 4.029 -15.955 1.00 2.15 C ATOM 780 CG ASP A 56 -15.748 4.018 -17.135 1.00 2.66 C ATOM 781 OD1 ASP A 56 -15.366 2.912 -17.578 1.00 3.78 O ATOM 782 OD2 ASP A 56 -15.481 5.120 -17.673 1.00 3.43 O ATOM 0 H ASP A 56 -17.348 5.052 -13.340 1.00 1.96 H new ATOM 0 HA ASP A 56 -15.541 2.989 -14.494 1.00 1.97 H new ATOM 0 HB2 ASP A 56 -17.419 3.195 -16.070 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -17.317 4.944 -16.003 1.00 2.15 H new ATOM 787 N GLN A 57 -14.014 4.805 -13.451 1.00 1.91 N ATOM 788 CA GLN A 57 -13.166 5.888 -12.909 1.00 2.16 C ATOM 789 C GLN A 57 -11.685 5.465 -12.749 1.00 1.93 C ATOM 790 O GLN A 57 -11.323 4.946 -11.694 1.00 2.03 O ATOM 791 CB GLN A 57 -13.764 6.375 -11.570 1.00 2.72 C ATOM 792 CG GLN A 57 -15.107 7.109 -11.745 1.00 2.49 C ATOM 793 CD GLN A 57 -15.730 7.542 -10.427 1.00 3.83 C ATOM 794 OE1 GLN A 57 -16.418 6.652 -9.752 1.00 4.49 O flip ATOM 795 NE2 GLN A 57 -15.620 8.671 -9.984 1.00 4.83 N flip ATOM 0 H GLN A 57 -13.751 3.870 -13.139 1.00 1.91 H new ATOM 0 HA GLN A 57 -13.161 6.709 -13.626 1.00 2.16 H new ATOM 0 HB2 GLN A 57 -13.906 5.520 -10.909 1.00 2.72 H new ATOM 0 HB3 GLN A 57 -13.053 7.041 -11.081 1.00 2.72 H new ATOM 0 HG2 GLN A 57 -14.955 7.987 -12.373 1.00 2.49 H new ATOM 0 HG3 GLN A 57 -15.804 6.457 -12.272 1.00 2.49 H new ATOM 0 HE21 GLN A 57 -15.088 9.372 -10.500 1.00 4.83 H new ATOM 0 HE22 GLN A 57 -16.060 8.916 -9.097 1.00 4.83 H new ATOM 804 N PRO A 58 -10.816 5.698 -13.758 1.00 1.82 N ATOM 805 CA PRO A 58 -9.418 5.268 -13.722 1.00 1.76 C ATOM 806 C PRO A 58 -8.517 6.225 -12.918 1.00 1.86 C ATOM 807 O PRO A 58 -8.241 7.364 -13.305 1.00 2.21 O ATOM 808 CB PRO A 58 -8.991 5.156 -15.189 1.00 1.92 C ATOM 809 CG PRO A 58 -9.854 6.204 -15.891 1.00 2.11 C ATOM 810 CD PRO A 58 -11.153 6.200 -15.086 1.00 1.98 C ATOM 0 HA PRO A 58 -9.314 4.316 -13.201 1.00 1.76 H new ATOM 0 HB2 PRO A 58 -7.928 5.361 -15.315 1.00 1.92 H new ATOM 0 HB3 PRO A 58 -9.171 4.157 -15.585 1.00 1.92 H new ATOM 0 HG2 PRO A 58 -9.380 7.185 -15.881 1.00 2.11 H new ATOM 0 HG3 PRO A 58 -10.029 5.945 -16.935 1.00 2.11 H new ATOM 0 HD2 PRO A 58 -11.575 7.203 -15.026 1.00 1.98 H new ATOM 0 HD3 PRO A 58 -11.902 5.567 -15.561 1.00 1.98 H new ATOM 818 N ILE A 59 -8.007 5.714 -11.794 1.00 1.80 N ATOM 819 CA ILE A 59 -6.979 6.336 -10.950 1.00 1.93 C ATOM 820 C ILE A 59 -5.613 5.670 -11.218 1.00 1.78 C ATOM 821 O ILE A 59 -5.511 4.491 -11.572 1.00 2.03 O ATOM 822 CB ILE A 59 -7.417 6.313 -9.462 1.00 2.34 C ATOM 823 CG1 ILE A 59 -8.736 7.117 -9.311 1.00 2.77 C ATOM 824 CG2 ILE A 59 -6.320 6.869 -8.531 1.00 2.59 C ATOM 825 CD1 ILE A 59 -9.301 7.205 -7.888 1.00 4.08 C ATOM 0 H ILE A 59 -8.313 4.812 -11.429 1.00 1.80 H new ATOM 0 HA ILE A 59 -6.861 7.389 -11.205 1.00 1.93 H new ATOM 0 HB ILE A 59 -7.583 5.278 -9.163 1.00 2.34 H new ATOM 0 HG12 ILE A 59 -8.567 8.129 -9.679 1.00 2.77 H new ATOM 0 HG13 ILE A 59 -9.491 6.666 -9.955 1.00 2.77 H new ATOM 0 HG21 ILE A 59 -6.667 6.835 -7.498 1.00 2.59 H new ATOM 0 HG22 ILE A 59 -5.418 6.265 -8.630 1.00 2.59 H new ATOM 0 HG23 ILE A 59 -6.098 7.900 -8.805 1.00 2.59 H new ATOM 0 HD11 ILE A 59 -10.222 7.788 -7.898 1.00 4.08 H new ATOM 0 HD12 ILE A 59 -9.511 6.202 -7.517 1.00 4.08 H new ATOM 0 HD13 ILE A 59 -8.573 7.688 -7.237 1.00 4.08 H new ATOM 837 N LYS A 60 -4.553 6.471 -11.102 1.00 1.76 N ATOM 838 CA LYS A 60 -3.307 6.270 -11.844 1.00 1.67 C ATOM 839 C LYS A 60 -2.103 6.931 -11.149 1.00 1.31 C ATOM 840 O LYS A 60 -1.528 7.921 -11.610 1.00 1.46 O ATOM 841 CB LYS A 60 -3.541 6.634 -13.330 1.00 2.44 C ATOM 842 CG LYS A 60 -4.232 7.988 -13.637 1.00 3.32 C ATOM 843 CD LYS A 60 -4.942 7.949 -15.006 1.00 4.19 C ATOM 844 CE LYS A 60 -5.862 9.157 -15.269 1.00 5.02 C ATOM 845 NZ LYS A 60 -5.159 10.322 -15.871 1.00 5.32 N ATOM 0 H LYS A 60 -4.535 7.284 -10.486 1.00 1.76 H new ATOM 0 HA LYS A 60 -3.018 5.219 -11.842 1.00 1.67 H new ATOM 0 HB2 LYS A 60 -2.574 6.628 -13.834 1.00 2.44 H new ATOM 0 HB3 LYS A 60 -4.139 5.842 -13.780 1.00 2.44 H new ATOM 0 HG2 LYS A 60 -4.956 8.217 -12.855 1.00 3.32 H new ATOM 0 HG3 LYS A 60 -3.492 8.788 -13.630 1.00 3.32 H new ATOM 0 HD2 LYS A 60 -4.189 7.900 -15.793 1.00 4.19 H new ATOM 0 HD3 LYS A 60 -5.532 7.035 -15.072 1.00 4.19 H new ATOM 0 HE2 LYS A 60 -6.671 8.849 -15.932 1.00 5.02 H new ATOM 0 HE3 LYS A 60 -6.320 9.466 -14.329 1.00 5.02 H new ATOM 0 HZ1 LYS A 60 -5.836 11.097 -16.021 1.00 5.32 H new ATOM 0 HZ2 LYS A 60 -4.404 10.641 -15.231 1.00 5.32 H new ATOM 0 HZ3 LYS A 60 -4.744 10.044 -16.783 1.00 5.32 H new ATOM 859 N LEU A 61 -1.725 6.355 -10.005 1.00 1.40 N ATOM 860 CA LEU A 61 -0.542 6.666 -9.201 1.00 1.25 C ATOM 861 C LEU A 61 0.515 5.554 -9.381 1.00 1.19 C ATOM 862 O LEU A 61 0.263 4.515 -9.990 1.00 1.63 O ATOM 863 CB LEU A 61 -0.983 6.826 -7.722 1.00 1.55 C ATOM 864 CG LEU A 61 -1.495 8.206 -7.253 1.00 1.85 C ATOM 865 CD1 LEU A 61 -2.412 8.920 -8.258 1.00 2.76 C ATOM 866 CD2 LEU A 61 -2.251 8.035 -5.930 1.00 2.60 C ATOM 0 H LEU A 61 -2.277 5.606 -9.587 1.00 1.40 H new ATOM 0 HA LEU A 61 -0.082 7.600 -9.525 1.00 1.25 H new ATOM 0 HB2 LEU A 61 -1.770 6.097 -7.530 1.00 1.55 H new ATOM 0 HB3 LEU A 61 -0.136 6.554 -7.092 1.00 1.55 H new ATOM 0 HG LEU A 61 -0.612 8.835 -7.143 1.00 1.85 H new ATOM 0 HD11 LEU A 61 -2.724 9.880 -7.847 1.00 2.76 H new ATOM 0 HD12 LEU A 61 -1.872 9.083 -9.191 1.00 2.76 H new ATOM 0 HD13 LEU A 61 -3.291 8.304 -8.450 1.00 2.76 H new ATOM 0 HD21 LEU A 61 -2.616 9.005 -5.592 1.00 2.60 H new ATOM 0 HD22 LEU A 61 -3.095 7.361 -6.078 1.00 2.60 H new ATOM 0 HD23 LEU A 61 -1.580 7.618 -5.179 1.00 2.60 H new ATOM 878 N VAL A 62 1.698 5.772 -8.813 1.00 1.09 N ATOM 879 CA VAL A 62 2.855 4.859 -8.860 1.00 1.25 C ATOM 880 C VAL A 62 2.729 3.747 -7.822 1.00 1.16 C ATOM 881 O VAL A 62 3.122 2.620 -8.106 1.00 1.72 O ATOM 882 CB VAL A 62 4.162 5.648 -8.591 1.00 1.70 C ATOM 883 CG1 VAL A 62 5.431 4.776 -8.552 1.00 2.36 C ATOM 884 CG2 VAL A 62 4.377 6.761 -9.632 1.00 2.38 C ATOM 0 H VAL A 62 1.893 6.622 -8.284 1.00 1.09 H new ATOM 0 HA VAL A 62 2.882 4.411 -9.853 1.00 1.25 H new ATOM 0 HB VAL A 62 4.017 6.072 -7.597 1.00 1.70 H new ATOM 0 HG11 VAL A 62 6.299 5.406 -8.359 1.00 2.36 H new ATOM 0 HG12 VAL A 62 5.338 4.033 -7.760 1.00 2.36 H new ATOM 0 HG13 VAL A 62 5.555 4.271 -9.510 1.00 2.36 H new ATOM 0 HG21 VAL A 62 5.303 7.292 -9.411 1.00 2.38 H new ATOM 0 HG22 VAL A 62 4.440 6.321 -10.627 1.00 2.38 H new ATOM 0 HG23 VAL A 62 3.541 7.459 -9.596 1.00 2.38 H new ATOM 894 N GLY A 63 2.207 4.050 -6.627 1.00 1.15 N ATOM 895 CA GLY A 63 2.200 3.108 -5.509 1.00 1.31 C ATOM 896 C GLY A 63 2.117 3.774 -4.146 1.00 0.87 C ATOM 897 O GLY A 63 1.673 4.916 -4.031 1.00 0.91 O ATOM 0 H GLY A 63 1.780 4.951 -6.412 1.00 1.15 H new ATOM 0 HA2 GLY A 63 1.355 2.429 -5.623 1.00 1.31 H new ATOM 0 HA3 GLY A 63 3.104 2.501 -5.552 1.00 1.31 H new ATOM 901 N ALA A 64 2.557 3.037 -3.126 1.00 1.02 N ATOM 902 CA ALA A 64 2.538 3.420 -1.717 1.00 0.94 C ATOM 903 C ALA A 64 3.861 2.986 -1.053 1.00 0.93 C ATOM 904 O ALA A 64 4.014 1.826 -0.677 1.00 1.22 O ATOM 905 CB ALA A 64 1.306 2.749 -1.082 1.00 1.41 C ATOM 0 H ALA A 64 2.956 2.109 -3.269 1.00 1.02 H new ATOM 0 HA ALA A 64 2.460 4.499 -1.583 1.00 0.94 H new ATOM 0 HB1 ALA A 64 1.254 3.010 -0.025 1.00 1.41 H new ATOM 0 HB2 ALA A 64 0.403 3.094 -1.586 1.00 1.41 H new ATOM 0 HB3 ALA A 64 1.388 1.667 -1.185 1.00 1.41 H new ATOM 911 N ALA A 65 4.833 3.898 -0.949 1.00 1.08 N ATOM 912 CA ALA A 65 6.178 3.647 -0.418 1.00 1.26 C ATOM 913 C ALA A 65 6.393 4.323 0.957 1.00 1.37 C ATOM 914 O ALA A 65 5.584 5.137 1.408 1.00 1.37 O ATOM 915 CB ALA A 65 7.189 4.145 -1.467 1.00 1.35 C ATOM 0 H ALA A 65 4.701 4.866 -1.243 1.00 1.08 H new ATOM 0 HA ALA A 65 6.316 2.580 -0.241 1.00 1.26 H new ATOM 0 HB1 ALA A 65 8.203 3.974 -1.105 1.00 1.35 H new ATOM 0 HB2 ALA A 65 7.041 3.603 -2.401 1.00 1.35 H new ATOM 0 HB3 ALA A 65 7.040 5.211 -1.639 1.00 1.35 H new ATOM 921 N THR A 66 7.522 4.050 1.630 1.00 1.57 N ATOM 922 CA THR A 66 7.823 4.560 2.987 1.00 1.74 C ATOM 923 C THR A 66 9.311 4.396 3.324 1.00 1.97 C ATOM 924 O THR A 66 9.714 3.244 3.482 1.00 1.89 O ATOM 925 CB THR A 66 6.922 3.907 4.077 1.00 1.68 C ATOM 926 OG1 THR A 66 7.671 3.544 5.223 1.00 2.71 O ATOM 927 CG2 THR A 66 6.204 2.616 3.676 1.00 1.71 C ATOM 0 H THR A 66 8.263 3.463 1.247 1.00 1.57 H new ATOM 0 HA THR A 66 7.593 5.625 2.983 1.00 1.74 H new ATOM 0 HB THR A 66 6.186 4.692 4.253 1.00 1.68 H new ATOM 0 HG1 THR A 66 7.596 2.578 5.370 1.00 2.71 H new ATOM 0 HG21 THR A 66 5.608 2.256 4.515 1.00 1.71 H new ATOM 0 HG22 THR A 66 5.552 2.812 2.825 1.00 1.71 H new ATOM 0 HG23 THR A 66 6.940 1.860 3.403 1.00 1.71 H new ATOM 935 N PRO A 67 10.084 5.475 3.566 1.00 2.34 N ATOM 936 CA PRO A 67 11.380 5.387 4.237 1.00 2.45 C ATOM 937 C PRO A 67 11.242 5.224 5.766 1.00 2.08 C ATOM 938 O PRO A 67 12.217 4.914 6.438 1.00 2.30 O ATOM 939 CB PRO A 67 12.097 6.688 3.872 1.00 2.97 C ATOM 940 CG PRO A 67 10.954 7.695 3.764 1.00 3.08 C ATOM 941 CD PRO A 67 9.790 6.863 3.223 1.00 2.75 C ATOM 0 HA PRO A 67 11.935 4.505 3.916 1.00 2.45 H new ATOM 0 HB2 PRO A 67 12.819 6.978 4.635 1.00 2.97 H new ATOM 0 HB3 PRO A 67 12.644 6.597 2.934 1.00 2.97 H new ATOM 0 HG2 PRO A 67 10.716 8.136 4.732 1.00 3.08 H new ATOM 0 HG3 PRO A 67 11.206 8.516 3.093 1.00 3.08 H new ATOM 0 HD2 PRO A 67 8.846 7.181 3.665 1.00 2.75 H new ATOM 0 HD3 PRO A 67 9.693 6.985 2.144 1.00 2.75 H new ATOM 949 N LEU A 68 10.034 5.396 6.329 1.00 1.70 N ATOM 950 CA LEU A 68 9.742 5.256 7.767 1.00 1.43 C ATOM 951 C LEU A 68 9.923 3.823 8.310 1.00 0.99 C ATOM 952 O LEU A 68 9.746 3.610 9.501 1.00 1.16 O ATOM 953 CB LEU A 68 8.315 5.780 8.058 1.00 1.75 C ATOM 954 CG LEU A 68 8.226 7.288 8.373 1.00 2.28 C ATOM 955 CD1 LEU A 68 8.487 8.156 7.134 1.00 3.95 C ATOM 956 CD2 LEU A 68 6.837 7.604 8.950 1.00 2.06 C ATOM 0 H LEU A 68 9.210 5.643 5.781 1.00 1.70 H new ATOM 0 HA LEU A 68 10.480 5.858 8.297 1.00 1.43 H new ATOM 0 HB2 LEU A 68 7.683 5.566 7.196 1.00 1.75 H new ATOM 0 HB3 LEU A 68 7.904 5.223 8.900 1.00 1.75 H new ATOM 0 HG LEU A 68 9.001 7.524 9.102 1.00 2.28 H new ATOM 0 HD11 LEU A 68 8.414 9.209 7.405 1.00 3.95 H new ATOM 0 HD12 LEU A 68 9.486 7.949 6.749 1.00 3.95 H new ATOM 0 HD13 LEU A 68 7.748 7.927 6.367 1.00 3.95 H new ATOM 0 HD21 LEU A 68 6.770 8.669 9.174 1.00 2.06 H new ATOM 0 HD22 LEU A 68 6.071 7.337 8.222 1.00 2.06 H new ATOM 0 HD23 LEU A 68 6.684 7.030 9.864 1.00 2.06 H new ATOM 968 N ALA A 69 10.234 2.834 7.472 1.00 1.03 N ATOM 969 CA ALA A 69 10.854 1.554 7.826 1.00 1.06 C ATOM 970 C ALA A 69 11.962 1.374 6.803 1.00 1.28 C ATOM 971 O ALA A 69 11.672 1.475 5.611 1.00 2.04 O ATOM 972 CB ALA A 69 9.883 0.397 7.650 1.00 1.57 C ATOM 0 H ALA A 69 10.050 2.907 6.471 1.00 1.03 H new ATOM 0 HA ALA A 69 11.188 1.560 8.864 1.00 1.06 H new ATOM 0 HB1 ALA A 69 10.376 -0.536 7.921 1.00 1.57 H new ATOM 0 HB2 ALA A 69 9.016 0.549 8.292 1.00 1.57 H new ATOM 0 HB3 ALA A 69 9.560 0.348 6.610 1.00 1.57 H new ATOM 978 N THR A 70 13.208 1.191 7.245 1.00 1.00 N ATOM 979 CA THR A 70 14.305 1.586 6.366 1.00 1.09 C ATOM 980 C THR A 70 14.464 0.661 5.163 1.00 1.03 C ATOM 981 O THR A 70 14.915 1.111 4.112 1.00 1.27 O ATOM 982 CB THR A 70 15.613 1.765 7.138 1.00 1.52 C ATOM 983 OG1 THR A 70 16.490 2.524 6.344 1.00 3.18 O ATOM 984 CG2 THR A 70 16.297 0.454 7.548 1.00 1.54 C ATOM 0 H THR A 70 13.472 0.797 8.148 1.00 1.00 H new ATOM 0 HA THR A 70 14.038 2.561 5.958 1.00 1.09 H new ATOM 0 HB THR A 70 15.363 2.267 8.073 1.00 1.52 H new ATOM 0 HG1 THR A 70 17.336 2.652 6.822 1.00 3.18 H new ATOM 0 HG21 THR A 70 17.216 0.677 8.090 1.00 1.54 H new ATOM 0 HG22 THR A 70 15.628 -0.120 8.189 1.00 1.54 H new ATOM 0 HG23 THR A 70 16.533 -0.127 6.657 1.00 1.54 H new ATOM 992 N SER A 71 14.049 -0.602 5.298 1.00 1.12 N ATOM 993 CA SER A 71 13.965 -1.560 4.195 1.00 1.54 C ATOM 994 C SER A 71 12.487 -1.869 3.876 1.00 1.57 C ATOM 995 O SER A 71 11.937 -2.850 4.394 1.00 1.59 O ATOM 996 CB SER A 71 14.745 -2.832 4.565 1.00 1.79 C ATOM 997 OG SER A 71 14.767 -3.761 3.494 1.00 2.52 O ATOM 0 H SER A 71 13.757 -0.993 6.194 1.00 1.12 H new ATOM 0 HA SER A 71 14.413 -1.135 3.297 1.00 1.54 H new ATOM 0 HB2 SER A 71 15.766 -2.567 4.838 1.00 1.79 H new ATOM 0 HB3 SER A 71 14.291 -3.296 5.441 1.00 1.79 H new ATOM 0 HG SER A 71 15.272 -4.557 3.762 1.00 2.52 H new ATOM 1003 N PRO A 72 11.816 -1.050 3.045 1.00 1.62 N ATOM 1004 CA PRO A 72 10.475 -1.351 2.580 1.00 1.63 C ATOM 1005 C PRO A 72 10.551 -2.435 1.496 1.00 1.66 C ATOM 1006 O PRO A 72 11.215 -2.260 0.475 1.00 1.73 O ATOM 1007 CB PRO A 72 9.925 -0.014 2.083 1.00 1.66 C ATOM 1008 CG PRO A 72 11.166 0.702 1.545 1.00 1.73 C ATOM 1009 CD PRO A 72 12.277 0.213 2.476 1.00 1.70 C ATOM 0 HA PRO A 72 9.813 -1.756 3.346 1.00 1.63 H new ATOM 0 HB2 PRO A 72 9.173 -0.153 1.306 1.00 1.66 H new ATOM 0 HB3 PRO A 72 9.453 0.550 2.887 1.00 1.66 H new ATOM 0 HG2 PRO A 72 11.365 0.439 0.506 1.00 1.73 H new ATOM 0 HG3 PRO A 72 11.055 1.786 1.584 1.00 1.73 H new ATOM 0 HD2 PRO A 72 13.209 0.074 1.928 1.00 1.70 H new ATOM 0 HD3 PRO A 72 12.474 0.943 3.261 1.00 1.70 H new ATOM 1017 N MET A 73 9.867 -3.561 1.716 1.00 1.67 N ATOM 1018 CA MET A 73 9.719 -4.653 0.749 1.00 1.56 C ATOM 1019 C MET A 73 8.297 -4.619 0.180 1.00 1.29 C ATOM 1020 O MET A 73 7.343 -4.482 0.948 1.00 1.15 O ATOM 1021 CB MET A 73 10.001 -5.995 1.442 1.00 1.71 C ATOM 1022 CG MET A 73 10.832 -6.923 0.548 1.00 1.69 C ATOM 1023 SD MET A 73 12.564 -6.411 0.397 1.00 2.02 S ATOM 1024 CE MET A 73 13.133 -7.585 -0.857 1.00 2.64 C ATOM 0 H MET A 73 9.387 -3.744 2.597 1.00 1.67 H new ATOM 0 HA MET A 73 10.431 -4.535 -0.068 1.00 1.56 H new ATOM 0 HB2 MET A 73 10.531 -5.818 2.378 1.00 1.71 H new ATOM 0 HB3 MET A 73 9.059 -6.480 1.696 1.00 1.71 H new ATOM 0 HG2 MET A 73 10.793 -7.935 0.951 1.00 1.69 H new ATOM 0 HG3 MET A 73 10.383 -6.958 -0.445 1.00 1.69 H new ATOM 0 HE1 MET A 73 14.187 -7.408 -1.070 1.00 2.64 H new ATOM 0 HE2 MET A 73 13.003 -8.603 -0.488 1.00 2.64 H new ATOM 0 HE3 MET A 73 12.552 -7.453 -1.770 1.00 2.64 H new ATOM 1034 N LEU A 74 8.128 -4.686 -1.148 1.00 1.47 N ATOM 1035 CA LEU A 74 6.809 -4.503 -1.773 1.00 1.41 C ATOM 1036 C LEU A 74 6.526 -5.515 -2.901 1.00 1.29 C ATOM 1037 O LEU A 74 7.103 -5.433 -3.992 1.00 1.22 O ATOM 1038 CB LEU A 74 6.613 -3.040 -2.244 1.00 1.50 C ATOM 1039 CG LEU A 74 6.934 -1.879 -1.260 1.00 2.32 C ATOM 1040 CD1 LEU A 74 8.404 -1.446 -1.328 1.00 2.58 C ATOM 1041 CD2 LEU A 74 6.132 -0.603 -1.559 1.00 3.07 C ATOM 0 H LEU A 74 8.884 -4.865 -1.809 1.00 1.47 H new ATOM 0 HA LEU A 74 6.068 -4.709 -1.001 1.00 1.41 H new ATOM 0 HB2 LEU A 74 7.227 -2.896 -3.133 1.00 1.50 H new ATOM 0 HB3 LEU A 74 5.573 -2.931 -2.553 1.00 1.50 H new ATOM 0 HG LEU A 74 6.676 -2.289 -0.284 1.00 2.32 H new ATOM 0 HD11 LEU A 74 8.577 -0.633 -0.623 1.00 2.58 H new ATOM 0 HD12 LEU A 74 9.044 -2.290 -1.073 1.00 2.58 H new ATOM 0 HD13 LEU A 74 8.637 -1.106 -2.337 1.00 2.58 H new ATOM 0 HD21 LEU A 74 6.399 0.171 -0.840 1.00 3.07 H new ATOM 0 HD22 LEU A 74 6.361 -0.257 -2.567 1.00 3.07 H new ATOM 0 HD23 LEU A 74 5.066 -0.817 -1.483 1.00 3.07 H new ATOM 1053 N MET A 75 5.587 -6.440 -2.655 1.00 1.43 N ATOM 1054 CA MET A 75 5.344 -7.647 -3.461 1.00 1.57 C ATOM 1055 C MET A 75 3.854 -7.861 -3.810 1.00 1.53 C ATOM 1056 O MET A 75 3.061 -8.391 -3.032 1.00 2.26 O ATOM 1057 CB MET A 75 5.961 -8.880 -2.758 1.00 1.77 C ATOM 1058 CG MET A 75 5.626 -9.052 -1.264 1.00 2.63 C ATOM 1059 SD MET A 75 6.595 -8.062 -0.086 1.00 3.23 S ATOM 1060 CE MET A 75 8.068 -9.108 0.050 1.00 3.49 C ATOM 0 H MET A 75 4.952 -6.366 -1.860 1.00 1.43 H new ATOM 0 HA MET A 75 5.840 -7.505 -4.421 1.00 1.57 H new ATOM 0 HB2 MET A 75 5.634 -9.775 -3.287 1.00 1.77 H new ATOM 0 HB3 MET A 75 7.045 -8.826 -2.862 1.00 1.77 H new ATOM 0 HG2 MET A 75 4.572 -8.812 -1.123 1.00 2.63 H new ATOM 0 HG3 MET A 75 5.751 -10.104 -1.007 1.00 2.63 H new ATOM 0 HE1 MET A 75 8.633 -8.827 0.939 1.00 3.49 H new ATOM 0 HE2 MET A 75 7.767 -10.153 0.126 1.00 3.49 H new ATOM 0 HE3 MET A 75 8.692 -8.974 -0.833 1.00 3.49 H new ATOM 1070 N THR A 76 3.483 -7.528 -5.051 1.00 1.16 N ATOM 1071 CA THR A 76 2.180 -7.855 -5.655 1.00 1.16 C ATOM 1072 C THR A 76 2.402 -8.771 -6.859 1.00 1.34 C ATOM 1073 O THR A 76 3.515 -8.813 -7.377 1.00 1.59 O ATOM 1074 CB THR A 76 1.420 -6.563 -6.000 1.00 1.43 C ATOM 1075 OG1 THR A 76 0.223 -6.876 -6.674 1.00 2.16 O ATOM 1076 CG2 THR A 76 2.243 -5.599 -6.851 1.00 1.96 C ATOM 0 H THR A 76 4.094 -7.010 -5.682 1.00 1.16 H new ATOM 0 HA THR A 76 1.552 -8.398 -4.949 1.00 1.16 H new ATOM 0 HB THR A 76 1.206 -6.062 -5.056 1.00 1.43 H new ATOM 0 HG1 THR A 76 0.202 -6.410 -7.536 1.00 2.16 H new ATOM 0 HG21 THR A 76 1.654 -4.706 -7.062 1.00 1.96 H new ATOM 0 HG22 THR A 76 3.147 -5.318 -6.311 1.00 1.96 H new ATOM 0 HG23 THR A 76 2.516 -6.084 -7.788 1.00 1.96 H new ATOM 1084 N THR A 77 1.390 -9.536 -7.275 1.00 1.49 N ATOM 1085 CA THR A 77 1.432 -10.544 -8.357 1.00 1.86 C ATOM 1086 C THR A 77 -0.003 -10.925 -8.697 1.00 1.73 C ATOM 1087 O THR A 77 -0.743 -11.335 -7.807 1.00 2.18 O ATOM 1088 CB THR A 77 2.225 -11.802 -7.954 1.00 2.18 C ATOM 1089 OG1 THR A 77 3.574 -11.467 -7.749 1.00 3.19 O ATOM 1090 CG2 THR A 77 2.219 -12.874 -9.048 1.00 3.27 C ATOM 0 H THR A 77 0.466 -9.472 -6.848 1.00 1.49 H new ATOM 0 HA THR A 77 1.942 -10.113 -9.218 1.00 1.86 H new ATOM 0 HB THR A 77 1.746 -12.187 -7.054 1.00 2.18 H new ATOM 0 HG1 THR A 77 3.710 -10.518 -7.951 1.00 3.19 H new ATOM 0 HG21 THR A 77 2.792 -13.739 -8.713 1.00 3.27 H new ATOM 0 HG22 THR A 77 1.193 -13.177 -9.255 1.00 3.27 H new ATOM 0 HG23 THR A 77 2.669 -12.470 -9.955 1.00 3.27 H new ATOM 1098 N THR A 78 -0.414 -10.813 -9.967 1.00 2.31 N ATOM 1099 CA THR A 78 -1.805 -11.065 -10.397 1.00 2.31 C ATOM 1100 C THR A 78 -1.928 -11.198 -11.908 1.00 2.93 C ATOM 1101 O THR A 78 -0.984 -10.895 -12.630 1.00 4.02 O ATOM 1102 CB THR A 78 -2.767 -10.009 -9.816 1.00 3.81 C ATOM 1103 OG1 THR A 78 -4.074 -10.542 -9.821 1.00 4.41 O ATOM 1104 CG2 THR A 78 -2.769 -8.681 -10.578 1.00 5.35 C ATOM 0 H THR A 78 0.207 -10.545 -10.731 1.00 2.31 H new ATOM 0 HA THR A 78 -2.103 -12.031 -9.988 1.00 2.31 H new ATOM 0 HB THR A 78 -2.419 -9.785 -8.808 1.00 3.81 H new ATOM 0 HG1 THR A 78 -4.698 -9.882 -9.452 1.00 4.41 H new ATOM 0 HG21 THR A 78 -3.471 -7.992 -10.107 1.00 5.35 H new ATOM 0 HG22 THR A 78 -1.768 -8.249 -10.559 1.00 5.35 H new ATOM 0 HG23 THR A 78 -3.069 -8.855 -11.611 1.00 5.35 H new ATOM 1112 N HIS A 79 -3.107 -11.625 -12.354 1.00 2.98 N ATOM 1113 CA HIS A 79 -3.482 -11.851 -13.758 1.00 4.13 C ATOM 1114 C HIS A 79 -5.014 -12.014 -13.946 1.00 4.39 C ATOM 1115 O HIS A 79 -5.460 -12.755 -14.818 1.00 5.89 O ATOM 1116 CB HIS A 79 -2.676 -13.040 -14.321 1.00 5.53 C ATOM 1117 CG HIS A 79 -2.968 -14.356 -13.641 1.00 5.53 C ATOM 1118 ND1 HIS A 79 -4.110 -15.105 -13.794 1.00 6.28 N ATOM 1119 CD2 HIS A 79 -2.163 -15.022 -12.758 1.00 5.56 C ATOM 1120 CE1 HIS A 79 -3.997 -16.201 -13.025 1.00 6.45 C ATOM 1121 NE2 HIS A 79 -2.823 -16.191 -12.369 1.00 6.13 N ATOM 0 H HIS A 79 -3.873 -11.836 -11.714 1.00 2.98 H new ATOM 0 HA HIS A 79 -3.224 -10.963 -14.335 1.00 4.13 H new ATOM 0 HB2 HIS A 79 -2.888 -13.138 -15.386 1.00 5.53 H new ATOM 0 HB3 HIS A 79 -1.612 -12.822 -14.227 1.00 5.53 H new ATOM 0 HD1 HIS A 79 -4.905 -14.870 -14.388 1.00 6.28 H new ATOM 0 HD2 HIS A 79 -1.189 -14.701 -12.421 1.00 5.56 H new ATOM 0 HE1 HIS A 79 -4.742 -16.979 -12.945 1.00 6.45 H new ATOM 1129 N SER A 80 -5.854 -11.380 -13.111 1.00 3.41 N ATOM 1130 CA SER A 80 -7.331 -11.491 -13.215 1.00 4.13 C ATOM 1131 C SER A 80 -8.031 -10.248 -13.798 1.00 3.63 C ATOM 1132 O SER A 80 -9.224 -10.300 -14.092 1.00 4.51 O ATOM 1133 CB SER A 80 -7.940 -11.839 -11.851 1.00 4.69 C ATOM 1134 OG SER A 80 -7.598 -13.170 -11.511 1.00 6.05 O ATOM 0 H SER A 80 -5.539 -10.780 -12.349 1.00 3.41 H new ATOM 0 HA SER A 80 -7.507 -12.295 -13.929 1.00 4.13 H new ATOM 0 HB2 SER A 80 -7.572 -11.151 -11.090 1.00 4.69 H new ATOM 0 HB3 SER A 80 -9.024 -11.727 -11.885 1.00 4.69 H new ATOM 0 HG SER A 80 -7.985 -13.394 -10.639 1.00 6.05 H new ATOM 1140 N GLY A 81 -7.299 -9.143 -13.988 1.00 3.17 N ATOM 1141 CA GLY A 81 -7.699 -8.029 -14.857 1.00 3.60 C ATOM 1142 C GLY A 81 -6.998 -8.106 -16.217 1.00 3.76 C ATOM 1143 O GLY A 81 -6.308 -9.076 -16.520 1.00 4.72 O ATOM 0 H GLY A 81 -6.397 -8.996 -13.535 1.00 3.17 H new ATOM 0 HA2 GLY A 81 -8.779 -8.047 -15.001 1.00 3.60 H new ATOM 0 HA3 GLY A 81 -7.457 -7.083 -14.374 1.00 3.60 H new ATOM 1147 N GLY A 82 -7.083 -7.034 -17.007 1.00 3.81 N ATOM 1148 CA GLY A 82 -6.307 -6.860 -18.244 1.00 4.11 C ATOM 1149 C GLY A 82 -4.933 -6.274 -17.937 1.00 3.87 C ATOM 1150 O GLY A 82 -4.526 -5.287 -18.542 1.00 4.38 O ATOM 0 H GLY A 82 -7.701 -6.248 -16.805 1.00 3.81 H new ATOM 0 HA2 GLY A 82 -6.195 -7.820 -18.747 1.00 4.11 H new ATOM 0 HA3 GLY A 82 -6.844 -6.203 -18.928 1.00 4.11 H new ATOM 1154 N MET A 83 -4.310 -6.809 -16.884 1.00 3.32 N ATOM 1155 CA MET A 83 -3.452 -6.047 -15.979 1.00 3.00 C ATOM 1156 C MET A 83 -2.586 -6.983 -15.115 1.00 2.93 C ATOM 1157 O MET A 83 -2.640 -6.928 -13.886 1.00 3.11 O ATOM 1158 CB MET A 83 -4.338 -5.100 -15.133 1.00 2.79 C ATOM 1159 CG MET A 83 -3.534 -3.988 -14.453 1.00 3.48 C ATOM 1160 SD MET A 83 -3.032 -2.647 -15.561 1.00 4.65 S ATOM 1161 CE MET A 83 -1.842 -1.859 -14.455 1.00 5.37 C ATOM 0 H MET A 83 -4.389 -7.795 -16.635 1.00 3.32 H new ATOM 0 HA MET A 83 -2.751 -5.440 -16.552 1.00 3.00 H new ATOM 0 HB2 MET A 83 -5.099 -4.653 -15.773 1.00 2.79 H new ATOM 0 HB3 MET A 83 -4.861 -5.681 -14.373 1.00 2.79 H new ATOM 0 HG2 MET A 83 -4.129 -3.569 -13.642 1.00 3.48 H new ATOM 0 HG3 MET A 83 -2.643 -4.424 -14.002 1.00 3.48 H new ATOM 0 HE1 MET A 83 -1.618 -0.856 -14.817 1.00 5.37 H new ATOM 0 HE2 MET A 83 -2.263 -1.797 -13.452 1.00 5.37 H new ATOM 0 HE3 MET A 83 -0.925 -2.448 -14.428 1.00 5.37 H new ATOM 1171 N ALA A 84 -1.855 -7.911 -15.738 1.00 2.89 N ATOM 1172 CA ALA A 84 -0.937 -8.794 -15.023 1.00 2.89 C ATOM 1173 C ALA A 84 0.405 -8.103 -14.731 1.00 3.13 C ATOM 1174 O ALA A 84 0.802 -7.161 -15.420 1.00 3.63 O ATOM 1175 CB ALA A 84 -0.748 -10.098 -15.810 1.00 3.26 C ATOM 0 H ALA A 84 -1.884 -8.069 -16.745 1.00 2.89 H new ATOM 0 HA ALA A 84 -1.375 -9.037 -14.055 1.00 2.89 H new ATOM 0 HB1 ALA A 84 -0.062 -10.752 -15.271 1.00 3.26 H new ATOM 0 HB2 ALA A 84 -1.710 -10.597 -15.924 1.00 3.26 H new ATOM 0 HB3 ALA A 84 -0.337 -9.873 -16.794 1.00 3.26 H new ATOM 1181 N GLY A 85 1.122 -8.598 -13.718 1.00 2.97 N ATOM 1182 CA GLY A 85 2.408 -8.071 -13.284 1.00 3.36 C ATOM 1183 C GLY A 85 3.076 -8.945 -12.225 1.00 2.70 C ATOM 1184 O GLY A 85 2.453 -9.830 -11.636 1.00 2.40 O ATOM 0 H GLY A 85 0.811 -9.397 -13.166 1.00 2.97 H new ATOM 0 HA2 GLY A 85 3.069 -7.982 -14.146 1.00 3.36 H new ATOM 0 HA3 GLY A 85 2.268 -7.066 -12.885 1.00 3.36 H new ATOM 1188 N MET A 86 4.359 -8.668 -12.014 1.00 3.06 N ATOM 1189 CA MET A 86 5.303 -9.400 -11.149 1.00 2.71 C ATOM 1190 C MET A 86 5.683 -8.594 -9.896 1.00 2.31 C ATOM 1191 O MET A 86 5.614 -7.368 -9.908 1.00 3.35 O ATOM 1192 CB MET A 86 6.547 -9.727 -12.003 1.00 4.01 C ATOM 1193 CG MET A 86 7.640 -10.571 -11.326 1.00 4.02 C ATOM 1194 SD MET A 86 7.077 -12.152 -10.635 1.00 3.88 S ATOM 1195 CE MET A 86 8.666 -13.006 -10.486 1.00 4.90 C ATOM 0 H MET A 86 4.806 -7.873 -12.470 1.00 3.06 H new ATOM 0 HA MET A 86 4.836 -10.314 -10.782 1.00 2.71 H new ATOM 0 HB2 MET A 86 6.217 -10.251 -12.900 1.00 4.01 H new ATOM 0 HB3 MET A 86 6.994 -8.788 -12.329 1.00 4.01 H new ATOM 0 HG2 MET A 86 8.426 -10.770 -12.054 1.00 4.02 H new ATOM 0 HG3 MET A 86 8.088 -9.982 -10.526 1.00 4.02 H new ATOM 0 HE1 MET A 86 8.506 -14.002 -10.074 1.00 4.90 H new ATOM 0 HE2 MET A 86 9.128 -13.090 -11.470 1.00 4.90 H new ATOM 0 HE3 MET A 86 9.322 -12.441 -9.825 1.00 4.90 H new ATOM 1205 N LYS A 87 6.136 -9.282 -8.840 1.00 1.58 N ATOM 1206 CA LYS A 87 6.710 -8.695 -7.621 1.00 1.74 C ATOM 1207 C LYS A 87 7.821 -7.642 -7.880 1.00 1.35 C ATOM 1208 O LYS A 87 8.651 -7.817 -8.771 1.00 2.15 O ATOM 1209 CB LYS A 87 7.179 -9.837 -6.681 1.00 2.93 C ATOM 1210 CG LYS A 87 8.420 -10.565 -7.252 1.00 3.54 C ATOM 1211 CD LYS A 87 8.794 -11.865 -6.543 1.00 5.12 C ATOM 1212 CE LYS A 87 9.189 -11.667 -5.082 1.00 6.20 C ATOM 1213 NZ LYS A 87 10.123 -12.733 -4.645 1.00 7.51 N ATOM 0 H LYS A 87 6.112 -10.301 -8.810 1.00 1.58 H new ATOM 0 HA LYS A 87 5.923 -8.122 -7.131 1.00 1.74 H new ATOM 0 HB2 LYS A 87 7.415 -9.428 -5.699 1.00 2.93 H new ATOM 0 HB3 LYS A 87 6.368 -10.552 -6.542 1.00 2.93 H new ATOM 0 HG2 LYS A 87 8.241 -10.782 -8.305 1.00 3.54 H new ATOM 0 HG3 LYS A 87 9.272 -9.887 -7.207 1.00 3.54 H new ATOM 0 HD2 LYS A 87 7.950 -12.553 -6.593 1.00 5.12 H new ATOM 0 HD3 LYS A 87 9.621 -12.335 -7.075 1.00 5.12 H new ATOM 0 HE2 LYS A 87 9.658 -10.691 -4.955 1.00 6.20 H new ATOM 0 HE3 LYS A 87 8.298 -11.677 -4.454 1.00 6.20 H new ATOM 0 HZ1 LYS A 87 10.381 -12.582 -3.649 1.00 7.51 H new ATOM 0 HZ2 LYS A 87 9.663 -13.660 -4.747 1.00 7.51 H new ATOM 0 HZ3 LYS A 87 10.981 -12.705 -5.232 1.00 7.51 H new ATOM 1227 N MET A 88 7.837 -6.619 -7.007 1.00 1.83 N ATOM 1228 CA MET A 88 8.783 -5.517 -6.801 1.00 2.16 C ATOM 1229 C MET A 88 8.104 -4.176 -7.140 1.00 2.01 C ATOM 1230 O MET A 88 8.222 -3.691 -8.253 1.00 2.68 O ATOM 1231 CB MET A 88 10.143 -5.719 -7.489 1.00 2.99 C ATOM 1232 CG MET A 88 11.141 -4.766 -6.835 1.00 4.04 C ATOM 1233 SD MET A 88 12.713 -4.639 -7.718 1.00 5.00 S ATOM 1234 CE MET A 88 13.596 -3.550 -6.572 1.00 6.56 C ATOM 0 H MET A 88 7.074 -6.540 -6.335 1.00 1.83 H new ATOM 0 HA MET A 88 9.046 -5.501 -5.743 1.00 2.16 H new ATOM 0 HB2 MET A 88 10.475 -6.752 -7.384 1.00 2.99 H new ATOM 0 HB3 MET A 88 10.065 -5.517 -8.557 1.00 2.99 H new ATOM 0 HG2 MET A 88 10.692 -3.775 -6.767 1.00 4.04 H new ATOM 0 HG3 MET A 88 11.333 -5.100 -5.815 1.00 4.04 H new ATOM 0 HE1 MET A 88 14.599 -3.356 -6.953 1.00 6.56 H new ATOM 0 HE2 MET A 88 13.056 -2.608 -6.476 1.00 6.56 H new ATOM 0 HE3 MET A 88 13.666 -4.029 -5.595 1.00 6.56 H new ATOM 1244 N VAL A 89 7.408 -3.595 -6.151 1.00 1.99 N ATOM 1245 CA VAL A 89 6.726 -2.267 -6.124 1.00 1.91 C ATOM 1246 C VAL A 89 5.227 -2.436 -6.463 1.00 1.71 C ATOM 1247 O VAL A 89 4.913 -3.163 -7.406 1.00 1.82 O ATOM 1248 CB VAL A 89 7.375 -1.149 -7.001 1.00 2.14 C ATOM 1249 CG1 VAL A 89 6.661 0.208 -6.838 1.00 3.01 C ATOM 1250 CG2 VAL A 89 8.845 -0.909 -6.595 1.00 3.52 C ATOM 0 H VAL A 89 7.290 -4.078 -5.261 1.00 1.99 H new ATOM 0 HA VAL A 89 6.850 -1.905 -5.103 1.00 1.91 H new ATOM 0 HB VAL A 89 7.294 -1.502 -8.029 1.00 2.14 H new ATOM 0 HG11 VAL A 89 7.148 0.953 -7.467 1.00 3.01 H new ATOM 0 HG12 VAL A 89 5.617 0.108 -7.136 1.00 3.01 H new ATOM 0 HG13 VAL A 89 6.712 0.523 -5.796 1.00 3.01 H new ATOM 0 HG21 VAL A 89 9.272 -0.126 -7.221 1.00 3.52 H new ATOM 0 HG22 VAL A 89 8.888 -0.602 -5.550 1.00 3.52 H new ATOM 0 HG23 VAL A 89 9.414 -1.830 -6.726 1.00 3.52 H new ATOM 1260 N PRO A 90 4.278 -1.834 -5.707 1.00 1.61 N ATOM 1261 CA PRO A 90 2.857 -2.027 -5.921 1.00 1.59 C ATOM 1262 C PRO A 90 2.313 -0.916 -6.816 1.00 1.80 C ATOM 1263 O PRO A 90 2.238 0.241 -6.414 1.00 3.08 O ATOM 1264 CB PRO A 90 2.235 -2.004 -4.526 1.00 1.75 C ATOM 1265 CG PRO A 90 3.097 -0.983 -3.785 1.00 1.83 C ATOM 1266 CD PRO A 90 4.454 -1.042 -4.498 1.00 1.71 C ATOM 0 HA PRO A 90 2.625 -2.963 -6.429 1.00 1.59 H new ATOM 0 HB2 PRO A 90 1.188 -1.703 -4.555 1.00 1.75 H new ATOM 0 HB3 PRO A 90 2.272 -2.984 -4.051 1.00 1.75 H new ATOM 0 HG2 PRO A 90 2.664 0.016 -3.837 1.00 1.83 H new ATOM 0 HG3 PRO A 90 3.192 -1.235 -2.729 1.00 1.83 H new ATOM 0 HD2 PRO A 90 4.802 -0.039 -4.744 1.00 1.71 H new ATOM 0 HD3 PRO A 90 5.208 -1.491 -3.851 1.00 1.71 H new ATOM 1274 N TRP A 91 1.886 -1.291 -8.019 1.00 1.27 N ATOM 1275 CA TRP A 91 1.081 -0.467 -8.911 1.00 1.35 C ATOM 1276 C TRP A 91 -0.110 0.183 -8.192 1.00 1.82 C ATOM 1277 O TRP A 91 -0.772 -0.431 -7.350 1.00 2.39 O ATOM 1278 CB TRP A 91 0.602 -1.335 -10.092 1.00 1.70 C ATOM 1279 CG TRP A 91 0.111 -2.727 -9.772 1.00 2.00 C ATOM 1280 CD1 TRP A 91 -1.055 -3.066 -9.167 1.00 1.97 C ATOM 1281 CD2 TRP A 91 0.806 -3.998 -10.002 1.00 2.65 C ATOM 1282 NE1 TRP A 91 -1.140 -4.440 -9.042 1.00 2.39 N ATOM 1283 CE2 TRP A 91 -0.031 -5.067 -9.564 1.00 2.86 C ATOM 1284 CE3 TRP A 91 2.081 -4.354 -10.501 1.00 3.22 C ATOM 1285 CZ2 TRP A 91 0.353 -6.413 -9.648 1.00 3.57 C ATOM 1286 CZ3 TRP A 91 2.497 -5.700 -10.552 1.00 3.97 C ATOM 1287 CH2 TRP A 91 1.634 -6.726 -10.128 1.00 4.13 C ATOM 0 H TRP A 91 2.099 -2.208 -8.411 1.00 1.27 H new ATOM 0 HA TRP A 91 1.701 0.352 -9.276 1.00 1.35 H new ATOM 0 HB2 TRP A 91 -0.202 -0.802 -10.599 1.00 1.70 H new ATOM 0 HB3 TRP A 91 1.424 -1.422 -10.802 1.00 1.70 H new ATOM 0 HD1 TRP A 91 -1.806 -2.366 -8.832 1.00 1.97 H new ATOM 0 HE1 TRP A 91 -1.927 -4.929 -8.616 1.00 2.39 H new ATOM 0 HE3 TRP A 91 2.748 -3.580 -10.850 1.00 3.22 H new ATOM 0 HZ2 TRP A 91 -0.327 -7.197 -9.348 1.00 3.57 H new ATOM 0 HZ3 TRP A 91 3.483 -5.944 -10.918 1.00 3.97 H new ATOM 0 HH2 TRP A 91 1.957 -7.756 -10.172 1.00 4.13 H new ATOM 1298 N LEU A 92 -0.450 1.412 -8.595 1.00 2.09 N ATOM 1299 CA LEU A 92 -1.693 2.079 -8.210 1.00 2.84 C ATOM 1300 C LEU A 92 -2.413 2.578 -9.469 1.00 2.33 C ATOM 1301 O LEU A 92 -2.709 3.760 -9.634 1.00 2.95 O ATOM 1302 CB LEU A 92 -1.393 3.126 -7.127 1.00 4.24 C ATOM 1303 CG LEU A 92 -2.585 3.396 -6.192 1.00 5.32 C ATOM 1304 CD1 LEU A 92 -2.110 4.239 -4.999 1.00 6.87 C ATOM 1305 CD2 LEU A 92 -3.799 4.050 -6.868 1.00 6.03 C ATOM 0 H LEU A 92 0.140 1.977 -9.206 1.00 2.09 H new ATOM 0 HA LEU A 92 -2.404 1.399 -7.742 1.00 2.84 H new ATOM 0 HB2 LEU A 92 -0.543 2.790 -6.533 1.00 4.24 H new ATOM 0 HB3 LEU A 92 -1.098 4.059 -7.606 1.00 4.24 H new ATOM 0 HG LEU A 92 -2.943 2.421 -5.861 1.00 5.32 H new ATOM 0 HD11 LEU A 92 -2.951 4.433 -4.333 1.00 6.87 H new ATOM 0 HD12 LEU A 92 -1.335 3.698 -4.456 1.00 6.87 H new ATOM 0 HD13 LEU A 92 -1.707 5.185 -5.360 1.00 6.87 H new ATOM 0 HD21 LEU A 92 -4.588 4.201 -6.131 1.00 6.03 H new ATOM 0 HD22 LEU A 92 -3.507 5.012 -7.289 1.00 6.03 H new ATOM 0 HD23 LEU A 92 -4.165 3.402 -7.664 1.00 6.03 H new ATOM 1317 N THR A 93 -2.651 1.643 -10.388 1.00 2.03 N ATOM 1318 CA THR A 93 -3.247 1.890 -11.700 1.00 2.16 C ATOM 1319 C THR A 93 -4.464 0.991 -11.820 1.00 1.89 C ATOM 1320 O THR A 93 -4.344 -0.220 -11.634 1.00 2.33 O ATOM 1321 CB THR A 93 -2.251 1.572 -12.825 1.00 3.32 C ATOM 1322 OG1 THR A 93 -0.932 1.909 -12.459 1.00 4.18 O ATOM 1323 CG2 THR A 93 -2.620 2.320 -14.103 1.00 3.97 C ATOM 0 H THR A 93 -2.427 0.660 -10.234 1.00 2.03 H new ATOM 0 HA THR A 93 -3.523 2.940 -11.793 1.00 2.16 H new ATOM 0 HB THR A 93 -2.303 0.498 -13.002 1.00 3.32 H new ATOM 0 HG1 THR A 93 -0.323 1.693 -13.196 1.00 4.18 H new ATOM 0 HG21 THR A 93 -1.901 2.079 -14.886 1.00 3.97 H new ATOM 0 HG22 THR A 93 -3.618 2.022 -14.423 1.00 3.97 H new ATOM 0 HG23 THR A 93 -2.605 3.393 -13.914 1.00 3.97 H new ATOM 1331 N ILE A 94 -5.627 1.558 -12.144 1.00 1.62 N ATOM 1332 CA ILE A 94 -6.847 0.768 -12.372 1.00 1.56 C ATOM 1333 C ILE A 94 -7.424 0.958 -13.785 1.00 1.35 C ATOM 1334 O ILE A 94 -7.882 2.059 -14.094 1.00 1.60 O ATOM 1335 CB ILE A 94 -7.932 1.054 -11.305 1.00 2.16 C ATOM 1336 CG1 ILE A 94 -8.021 2.548 -10.937 1.00 2.90 C ATOM 1337 CG2 ILE A 94 -7.662 0.205 -10.055 1.00 3.39 C ATOM 1338 CD1 ILE A 94 -9.318 2.919 -10.226 1.00 4.08 C ATOM 0 H ILE A 94 -5.754 2.564 -12.256 1.00 1.62 H new ATOM 0 HA ILE A 94 -6.543 -0.275 -12.280 1.00 1.56 H new ATOM 0 HB ILE A 94 -8.896 0.781 -11.734 1.00 2.16 H new ATOM 0 HG12 ILE A 94 -7.177 2.808 -10.298 1.00 2.90 H new ATOM 0 HG13 ILE A 94 -7.929 3.145 -11.845 1.00 2.90 H new ATOM 0 HG21 ILE A 94 -8.427 0.408 -9.305 1.00 3.39 H new ATOM 0 HG22 ILE A 94 -7.686 -0.852 -10.321 1.00 3.39 H new ATOM 0 HG23 ILE A 94 -6.681 0.455 -9.650 1.00 3.39 H new ATOM 0 HD11 ILE A 94 -9.315 3.984 -9.996 1.00 4.08 H new ATOM 0 HD12 ILE A 94 -10.165 2.690 -10.872 1.00 4.08 H new ATOM 0 HD13 ILE A 94 -9.402 2.348 -9.301 1.00 4.08 H new ATOM 1350 N PRO A 95 -7.531 -0.115 -14.601 1.00 1.64 N ATOM 1351 CA PRO A 95 -8.567 -0.165 -15.618 1.00 1.96 C ATOM 1352 C PRO A 95 -9.913 -0.203 -14.883 1.00 1.61 C ATOM 1353 O PRO A 95 -10.058 -0.907 -13.880 1.00 2.05 O ATOM 1354 CB PRO A 95 -8.280 -1.410 -16.455 1.00 2.78 C ATOM 1355 CG PRO A 95 -7.581 -2.350 -15.475 1.00 2.81 C ATOM 1356 CD PRO A 95 -6.896 -1.424 -14.467 1.00 2.24 C ATOM 0 HA PRO A 95 -8.592 0.693 -16.290 1.00 1.96 H new ATOM 0 HB2 PRO A 95 -9.197 -1.850 -16.847 1.00 2.78 H new ATOM 0 HB3 PRO A 95 -7.646 -1.180 -17.311 1.00 2.78 H new ATOM 0 HG2 PRO A 95 -8.295 -3.011 -14.983 1.00 2.81 H new ATOM 0 HG3 PRO A 95 -6.857 -2.985 -15.984 1.00 2.81 H new ATOM 0 HD2 PRO A 95 -7.008 -1.806 -13.452 1.00 2.24 H new ATOM 0 HD3 PRO A 95 -5.827 -1.358 -14.667 1.00 2.24 H new ATOM 1364 N ALA A 96 -10.862 0.604 -15.364 1.00 1.81 N ATOM 1365 CA ALA A 96 -11.959 1.243 -14.616 1.00 1.87 C ATOM 1366 C ALA A 96 -13.130 0.333 -14.183 1.00 2.10 C ATOM 1367 O ALA A 96 -14.299 0.678 -14.311 1.00 3.22 O ATOM 1368 CB ALA A 96 -12.408 2.431 -15.482 1.00 2.42 C ATOM 0 H ALA A 96 -10.890 0.848 -16.354 1.00 1.81 H new ATOM 0 HA ALA A 96 -11.582 1.551 -13.641 1.00 1.87 H new ATOM 0 HB1 ALA A 96 -13.225 2.955 -14.986 1.00 2.42 H new ATOM 0 HB2 ALA A 96 -11.571 3.115 -15.623 1.00 2.42 H new ATOM 0 HB3 ALA A 96 -12.747 2.067 -16.452 1.00 2.42 H new ATOM 1374 N ARG A 97 -12.794 -0.851 -13.673 1.00 1.83 N ATOM 1375 CA ARG A 97 -13.661 -1.967 -13.268 1.00 1.90 C ATOM 1376 C ARG A 97 -12.847 -3.112 -12.637 1.00 1.90 C ATOM 1377 O ARG A 97 -13.349 -3.808 -11.755 1.00 2.60 O ATOM 1378 CB ARG A 97 -14.481 -2.467 -14.483 1.00 2.00 C ATOM 1379 CG ARG A 97 -15.467 -3.609 -14.168 1.00 2.56 C ATOM 1380 CD ARG A 97 -16.307 -3.960 -15.407 1.00 2.87 C ATOM 1381 NE ARG A 97 -17.235 -5.082 -15.150 1.00 3.53 N ATOM 1382 CZ ARG A 97 -17.216 -6.295 -15.699 1.00 3.97 C ATOM 1383 NH1 ARG A 97 -16.304 -6.678 -16.567 1.00 4.12 N ATOM 1384 NH2 ARG A 97 -18.141 -7.157 -15.354 1.00 4.90 N ATOM 0 H ARG A 97 -11.812 -1.079 -13.516 1.00 1.83 H new ATOM 0 HA ARG A 97 -14.352 -1.607 -12.505 1.00 1.90 H new ATOM 0 HB2 ARG A 97 -15.039 -1.628 -14.898 1.00 2.00 H new ATOM 0 HB3 ARG A 97 -13.791 -2.804 -15.256 1.00 2.00 H new ATOM 0 HG2 ARG A 97 -14.917 -4.489 -13.834 1.00 2.56 H new ATOM 0 HG3 ARG A 97 -16.123 -3.314 -13.349 1.00 2.56 H new ATOM 0 HD2 ARG A 97 -16.876 -3.084 -15.719 1.00 2.87 H new ATOM 0 HD3 ARG A 97 -15.644 -4.220 -16.232 1.00 2.87 H new ATOM 0 HE ARG A 97 -17.977 -4.906 -14.473 1.00 3.53 H new ATOM 0 HH11 ARG A 97 -15.566 -6.033 -16.849 1.00 4.12 H new ATOM 0 HH12 ARG A 97 -16.335 -7.620 -16.958 1.00 4.12 H new ATOM 0 HH21 ARG A 97 -18.857 -6.893 -14.677 1.00 4.90 H new ATOM 0 HH22 ARG A 97 -18.145 -8.092 -15.762 1.00 4.90 H new ATOM 1398 N GLY A 98 -11.569 -3.282 -13.030 1.00 1.52 N ATOM 1399 CA GLY A 98 -10.713 -4.422 -12.654 1.00 1.59 C ATOM 1400 C GLY A 98 -10.481 -4.523 -11.148 1.00 1.85 C ATOM 1401 O GLY A 98 -10.456 -5.642 -10.646 1.00 3.22 O ATOM 0 H GLY A 98 -11.092 -2.612 -13.633 1.00 1.52 H new ATOM 0 HA2 GLY A 98 -11.171 -5.345 -13.008 1.00 1.59 H new ATOM 0 HA3 GLY A 98 -9.751 -4.329 -13.159 1.00 1.59 H new ATOM 1405 N THR A 99 -10.395 -3.361 -10.473 1.00 1.50 N ATOM 1406 CA THR A 99 -10.473 -3.167 -9.016 1.00 1.80 C ATOM 1407 C THR A 99 -9.169 -3.611 -8.363 1.00 1.76 C ATOM 1408 O THR A 99 -8.898 -4.796 -8.177 1.00 2.06 O ATOM 1409 CB THR A 99 -11.712 -3.849 -8.418 1.00 2.37 C ATOM 1410 OG1 THR A 99 -12.839 -3.209 -8.982 1.00 3.24 O ATOM 1411 CG2 THR A 99 -11.801 -3.690 -6.903 1.00 2.86 C ATOM 0 H THR A 99 -10.261 -2.477 -10.964 1.00 1.50 H new ATOM 0 HA THR A 99 -10.597 -2.105 -8.805 1.00 1.80 H new ATOM 0 HB THR A 99 -11.660 -4.916 -8.636 1.00 2.37 H new ATOM 0 HG1 THR A 99 -12.928 -3.472 -9.922 1.00 3.24 H new ATOM 0 HG21 THR A 99 -12.696 -4.192 -6.536 1.00 2.86 H new ATOM 0 HG22 THR A 99 -10.920 -4.133 -6.438 1.00 2.86 H new ATOM 0 HG23 THR A 99 -11.850 -2.631 -6.651 1.00 2.86 H new ATOM 1419 N LEU A 100 -8.341 -2.619 -8.036 1.00 1.63 N ATOM 1420 CA LEU A 100 -7.079 -2.812 -7.331 1.00 1.71 C ATOM 1421 C LEU A 100 -7.295 -3.442 -5.958 1.00 1.79 C ATOM 1422 O LEU A 100 -8.147 -3.007 -5.178 1.00 2.05 O ATOM 1423 CB LEU A 100 -6.337 -1.468 -7.245 1.00 2.05 C ATOM 1424 CG LEU A 100 -5.027 -1.474 -6.430 1.00 2.97 C ATOM 1425 CD1 LEU A 100 -4.117 -0.364 -6.967 1.00 3.28 C ATOM 1426 CD2 LEU A 100 -5.199 -1.225 -4.916 1.00 4.69 C ATOM 0 H LEU A 100 -8.534 -1.642 -8.259 1.00 1.63 H new ATOM 0 HA LEU A 100 -6.459 -3.514 -7.889 1.00 1.71 H new ATOM 0 HB2 LEU A 100 -6.111 -1.134 -8.258 1.00 2.05 H new ATOM 0 HB3 LEU A 100 -7.010 -0.730 -6.809 1.00 2.05 H new ATOM 0 HG LEU A 100 -4.614 -2.476 -6.545 1.00 2.97 H new ATOM 0 HD11 LEU A 100 -3.185 -0.353 -6.402 1.00 3.28 H new ATOM 0 HD12 LEU A 100 -3.901 -0.548 -8.020 1.00 3.28 H new ATOM 0 HD13 LEU A 100 -4.617 0.599 -6.862 1.00 3.28 H new ATOM 0 HD21 LEU A 100 -4.223 -1.248 -4.430 1.00 4.69 H new ATOM 0 HD22 LEU A 100 -5.660 -0.250 -4.758 1.00 4.69 H new ATOM 0 HD23 LEU A 100 -5.835 -2.001 -4.490 1.00 4.69 H new ATOM 1438 N THR A 101 -6.403 -4.385 -5.655 1.00 1.62 N ATOM 1439 CA THR A 101 -6.219 -5.053 -4.366 1.00 1.59 C ATOM 1440 C THR A 101 -4.761 -4.837 -3.942 1.00 1.17 C ATOM 1441 O THR A 101 -3.902 -4.616 -4.797 1.00 1.66 O ATOM 1442 CB THR A 101 -6.518 -6.548 -4.560 1.00 2.34 C ATOM 1443 OG1 THR A 101 -7.813 -6.678 -5.116 1.00 3.07 O ATOM 1444 CG2 THR A 101 -6.566 -7.338 -3.253 1.00 2.92 C ATOM 0 H THR A 101 -5.743 -4.727 -6.354 1.00 1.62 H new ATOM 0 HA THR A 101 -6.883 -4.658 -3.597 1.00 1.59 H new ATOM 0 HB THR A 101 -5.716 -6.936 -5.188 1.00 2.34 H new ATOM 0 HG1 THR A 101 -8.019 -7.627 -5.248 1.00 3.07 H new ATOM 0 HG21 THR A 101 -6.782 -8.385 -3.468 1.00 2.92 H new ATOM 0 HG22 THR A 101 -5.604 -7.262 -2.747 1.00 2.92 H new ATOM 0 HG23 THR A 101 -7.347 -6.931 -2.611 1.00 2.92 H new ATOM 1452 N LEU A 102 -4.503 -4.888 -2.636 1.00 1.19 N ATOM 1453 CA LEU A 102 -3.207 -5.062 -2.003 1.00 1.40 C ATOM 1454 C LEU A 102 -3.493 -5.686 -0.625 1.00 1.19 C ATOM 1455 O LEU A 102 -3.487 -4.989 0.393 1.00 1.23 O ATOM 1456 CB LEU A 102 -2.508 -3.696 -1.915 1.00 1.98 C ATOM 1457 CG LEU A 102 -1.088 -3.863 -1.357 1.00 3.22 C ATOM 1458 CD1 LEU A 102 -0.124 -4.428 -2.413 1.00 4.11 C ATOM 1459 CD2 LEU A 102 -0.544 -2.536 -0.813 1.00 4.02 C ATOM 0 H LEU A 102 -5.251 -4.802 -1.948 1.00 1.19 H new ATOM 0 HA LEU A 102 -2.534 -5.713 -2.561 1.00 1.40 H new ATOM 0 HB2 LEU A 102 -2.467 -3.236 -2.902 1.00 1.98 H new ATOM 0 HB3 LEU A 102 -3.082 -3.026 -1.275 1.00 1.98 H new ATOM 0 HG LEU A 102 -1.155 -4.578 -0.537 1.00 3.22 H new ATOM 0 HD11 LEU A 102 0.871 -4.531 -1.979 1.00 4.11 H new ATOM 0 HD12 LEU A 102 -0.479 -5.404 -2.744 1.00 4.11 H new ATOM 0 HD13 LEU A 102 -0.080 -3.750 -3.265 1.00 4.11 H new ATOM 0 HD21 LEU A 102 0.463 -2.687 -0.425 1.00 4.02 H new ATOM 0 HD22 LEU A 102 -0.517 -1.798 -1.615 1.00 4.02 H new ATOM 0 HD23 LEU A 102 -1.191 -2.178 -0.012 1.00 4.02 H new ATOM 1471 N GLN A 103 -3.864 -6.968 -0.610 1.00 1.23 N ATOM 1472 CA GLN A 103 -4.243 -7.723 0.580 1.00 1.29 C ATOM 1473 C GLN A 103 -3.739 -9.175 0.519 1.00 1.65 C ATOM 1474 O GLN A 103 -3.355 -9.647 -0.548 1.00 1.81 O ATOM 1475 CB GLN A 103 -5.753 -7.641 0.783 1.00 1.60 C ATOM 1476 CG GLN A 103 -6.284 -6.200 0.992 1.00 2.12 C ATOM 1477 CD GLN A 103 -7.811 -6.196 1.067 1.00 2.27 C ATOM 1478 OE1 GLN A 103 -8.481 -6.466 -0.031 1.00 2.70 O flip ATOM 1479 NE2 GLN A 103 -8.413 -6.013 2.119 1.00 3.07 N flip ATOM 0 H GLN A 103 -3.909 -7.528 -1.461 1.00 1.23 H new ATOM 0 HA GLN A 103 -3.759 -7.275 1.448 1.00 1.29 H new ATOM 0 HB2 GLN A 103 -6.250 -8.078 -0.083 1.00 1.60 H new ATOM 0 HB3 GLN A 103 -6.026 -8.247 1.647 1.00 1.60 H new ATOM 0 HG2 GLN A 103 -5.868 -5.783 1.909 1.00 2.12 H new ATOM 0 HG3 GLN A 103 -5.953 -5.562 0.173 1.00 2.12 H new ATOM 0 HE21 GLN A 103 -7.896 -5.803 2.973 1.00 3.07 H new ATOM 0 HE22 GLN A 103 -9.431 -6.070 2.141 1.00 3.07 H new ATOM 1488 N ARG A 104 -3.770 -9.937 1.630 1.00 1.91 N ATOM 1489 CA ARG A 104 -3.385 -11.363 1.587 1.00 2.42 C ATOM 1490 C ARG A 104 -4.174 -12.233 0.584 1.00 2.70 C ATOM 1491 O ARG A 104 -3.719 -13.336 0.271 1.00 3.11 O ATOM 1492 CB ARG A 104 -3.374 -11.994 2.988 1.00 2.65 C ATOM 1493 CG ARG A 104 -2.057 -11.710 3.742 1.00 2.41 C ATOM 1494 CD ARG A 104 -1.734 -12.826 4.751 1.00 2.91 C ATOM 1495 NE ARG A 104 -1.436 -14.102 4.071 1.00 3.58 N ATOM 1496 CZ ARG A 104 -1.186 -15.281 4.620 1.00 4.12 C ATOM 1497 NH1 ARG A 104 -1.139 -15.467 5.924 1.00 4.22 N ATOM 1498 NH2 ARG A 104 -0.987 -16.302 3.823 1.00 5.12 N ATOM 0 H ARG A 104 -4.051 -9.599 2.550 1.00 1.91 H new ATOM 0 HA ARG A 104 -2.367 -11.351 1.199 1.00 2.42 H new ATOM 0 HB2 ARG A 104 -4.213 -11.607 3.566 1.00 2.65 H new ATOM 0 HB3 ARG A 104 -3.517 -13.071 2.901 1.00 2.65 H new ATOM 0 HG2 ARG A 104 -1.240 -11.617 3.027 1.00 2.41 H new ATOM 0 HG3 ARG A 104 -2.134 -10.756 4.264 1.00 2.41 H new ATOM 0 HD2 ARG A 104 -0.881 -12.530 5.361 1.00 2.91 H new ATOM 0 HD3 ARG A 104 -2.578 -12.962 5.427 1.00 2.91 H new ATOM 0 HE ARG A 104 -1.421 -14.072 3.052 1.00 3.58 H new ATOM 0 HH11 ARG A 104 -1.299 -14.683 6.557 1.00 4.22 H new ATOM 0 HH12 ARG A 104 -0.943 -16.395 6.300 1.00 4.22 H new ATOM 0 HH21 ARG A 104 -1.027 -16.175 2.812 1.00 5.12 H new ATOM 0 HH22 ARG A 104 -0.792 -17.224 4.214 1.00 5.12 H new ATOM 1512 N ASP A 105 -5.293 -11.718 0.081 1.00 2.64 N ATOM 1513 CA ASP A 105 -6.043 -12.149 -1.094 1.00 2.99 C ATOM 1514 C ASP A 105 -5.103 -12.410 -2.293 1.00 2.65 C ATOM 1515 O ASP A 105 -5.449 -13.231 -3.147 1.00 2.96 O ATOM 1516 CB ASP A 105 -7.098 -11.064 -1.436 1.00 3.20 C ATOM 1517 CG ASP A 105 -8.042 -10.638 -0.284 1.00 3.81 C ATOM 1518 OD1 ASP A 105 -7.531 -10.247 0.785 1.00 4.41 O ATOM 1519 OD2 ASP A 105 -9.287 -10.644 -0.476 1.00 4.61 O ATOM 0 H ASP A 105 -5.737 -10.915 0.527 1.00 2.64 H new ATOM 0 HA ASP A 105 -6.547 -13.091 -0.876 1.00 2.99 H new ATOM 0 HB2 ASP A 105 -6.574 -10.178 -1.794 1.00 3.20 H new ATOM 0 HB3 ASP A 105 -7.709 -11.429 -2.262 1.00 3.20 H new ATOM 1524 N GLY A 106 -3.911 -11.778 -2.364 1.00 2.25 N ATOM 1525 CA GLY A 106 -2.865 -12.079 -3.361 1.00 2.20 C ATOM 1526 C GLY A 106 -1.580 -11.230 -3.321 1.00 2.18 C ATOM 1527 O GLY A 106 -0.602 -11.609 -3.958 1.00 2.50 O ATOM 0 H GLY A 106 -3.646 -11.033 -1.719 1.00 2.25 H new ATOM 0 HA2 GLY A 106 -2.581 -13.125 -3.245 1.00 2.20 H new ATOM 0 HA3 GLY A 106 -3.306 -11.976 -4.353 1.00 2.20 H new ATOM 1531 N ASP A 107 -1.517 -10.129 -2.574 1.00 2.10 N ATOM 1532 CA ASP A 107 -0.491 -9.080 -2.776 1.00 2.31 C ATOM 1533 C ASP A 107 -0.305 -8.135 -1.549 1.00 1.88 C ATOM 1534 O ASP A 107 -1.230 -7.760 -0.838 1.00 2.17 O ATOM 1535 CB ASP A 107 -0.892 -8.288 -4.046 1.00 3.18 C ATOM 1536 CG ASP A 107 -2.393 -8.006 -4.318 1.00 5.05 C ATOM 1537 OD1 ASP A 107 -3.206 -7.949 -3.362 1.00 6.09 O ATOM 1538 OD2 ASP A 107 -2.694 -7.793 -5.518 1.00 5.93 O ATOM 0 H ASP A 107 -2.167 -9.930 -1.813 1.00 2.10 H new ATOM 0 HA ASP A 107 0.481 -9.558 -2.897 1.00 2.31 H new ATOM 0 HB2 ASP A 107 -0.379 -7.327 -4.009 1.00 3.18 H new ATOM 0 HB3 ASP A 107 -0.498 -8.827 -4.907 1.00 3.18 H new ATOM 1543 N HIS A 108 0.928 -7.757 -1.226 1.00 1.63 N ATOM 1544 CA HIS A 108 1.245 -7.257 0.107 1.00 1.80 C ATOM 1545 C HIS A 108 2.593 -6.527 0.172 1.00 1.71 C ATOM 1546 O HIS A 108 3.445 -6.714 -0.691 1.00 1.59 O ATOM 1547 CB HIS A 108 1.157 -8.427 1.104 1.00 2.29 C ATOM 1548 CG HIS A 108 2.065 -9.594 0.789 1.00 2.69 C ATOM 1549 ND1 HIS A 108 1.800 -10.595 -0.121 1.00 3.86 N ATOM 1550 CD2 HIS A 108 3.267 -9.893 1.376 1.00 3.23 C ATOM 1551 CE1 HIS A 108 2.809 -11.481 -0.073 1.00 4.31 C ATOM 1552 NE2 HIS A 108 3.725 -11.102 0.831 1.00 3.84 N ATOM 0 H HIS A 108 1.721 -7.787 -1.867 1.00 1.63 H new ATOM 0 HA HIS A 108 0.513 -6.497 0.379 1.00 1.80 H new ATOM 0 HB2 HIS A 108 1.397 -8.056 2.101 1.00 2.29 H new ATOM 0 HB3 HIS A 108 0.127 -8.783 1.135 1.00 2.29 H new ATOM 0 HD2 HIS A 108 3.772 -9.302 2.126 1.00 3.23 H new ATOM 0 HE1 HIS A 108 2.874 -12.374 -0.678 1.00 4.31 H new ATOM 0 HE2 HIS A 108 4.584 -11.595 1.074 1.00 3.84 H new ATOM 1560 N VAL A 109 2.790 -5.667 1.177 1.00 1.91 N ATOM 1561 CA VAL A 109 4.050 -4.965 1.417 1.00 1.83 C ATOM 1562 C VAL A 109 4.462 -5.128 2.883 1.00 1.68 C ATOM 1563 O VAL A 109 3.585 -5.157 3.753 1.00 1.73 O ATOM 1564 CB VAL A 109 3.987 -3.488 0.965 1.00 1.84 C ATOM 1565 CG1 VAL A 109 3.489 -3.361 -0.485 1.00 2.79 C ATOM 1566 CG2 VAL A 109 3.071 -2.610 1.826 1.00 2.40 C ATOM 0 H VAL A 109 2.065 -5.437 1.856 1.00 1.91 H new ATOM 0 HA VAL A 109 4.828 -5.418 0.802 1.00 1.83 H new ATOM 0 HB VAL A 109 5.014 -3.138 1.068 1.00 1.84 H new ATOM 0 HG11 VAL A 109 3.458 -2.309 -0.768 1.00 2.79 H new ATOM 0 HG12 VAL A 109 4.167 -3.896 -1.151 1.00 2.79 H new ATOM 0 HG13 VAL A 109 2.489 -3.788 -0.565 1.00 2.79 H new ATOM 0 HG21 VAL A 109 3.082 -1.589 1.444 1.00 2.40 H new ATOM 0 HG22 VAL A 109 2.054 -3.000 1.790 1.00 2.40 H new ATOM 0 HG23 VAL A 109 3.426 -2.615 2.857 1.00 2.40 H new ATOM 1576 N MET A 110 5.768 -5.265 3.155 1.00 1.58 N ATOM 1577 CA MET A 110 6.325 -5.483 4.500 1.00 1.50 C ATOM 1578 C MET A 110 7.485 -4.526 4.786 1.00 1.54 C ATOM 1579 O MET A 110 8.530 -4.534 4.137 1.00 2.07 O ATOM 1580 CB MET A 110 6.736 -6.949 4.687 1.00 1.71 C ATOM 1581 CG MET A 110 6.854 -7.277 6.179 1.00 2.38 C ATOM 1582 SD MET A 110 7.187 -9.015 6.531 1.00 2.67 S ATOM 1583 CE MET A 110 6.883 -8.996 8.319 1.00 3.33 C ATOM 0 H MET A 110 6.484 -5.227 2.429 1.00 1.58 H new ATOM 0 HA MET A 110 5.545 -5.263 5.229 1.00 1.50 H new ATOM 0 HB2 MET A 110 6.000 -7.603 4.220 1.00 1.71 H new ATOM 0 HB3 MET A 110 7.688 -7.134 4.190 1.00 1.71 H new ATOM 0 HG2 MET A 110 7.651 -6.671 6.611 1.00 2.38 H new ATOM 0 HG3 MET A 110 5.929 -6.988 6.677 1.00 2.38 H new ATOM 0 HE1 MET A 110 7.040 -9.995 8.725 1.00 3.33 H new ATOM 0 HE2 MET A 110 7.570 -8.297 8.797 1.00 3.33 H new ATOM 0 HE3 MET A 110 5.856 -8.684 8.510 1.00 3.33 H new ATOM 1593 N LEU A 111 7.250 -3.665 5.772 1.00 1.06 N ATOM 1594 CA LEU A 111 7.985 -2.446 6.078 1.00 0.94 C ATOM 1595 C LEU A 111 8.899 -2.734 7.280 1.00 0.75 C ATOM 1596 O LEU A 111 8.487 -2.577 8.432 1.00 0.78 O ATOM 1597 CB LEU A 111 6.936 -1.350 6.379 1.00 1.04 C ATOM 1598 CG LEU A 111 6.146 -0.743 5.196 1.00 1.62 C ATOM 1599 CD1 LEU A 111 5.742 -1.684 4.055 1.00 3.38 C ATOM 1600 CD2 LEU A 111 4.867 -0.093 5.752 1.00 1.80 C ATOM 0 H LEU A 111 6.482 -3.815 6.426 1.00 1.06 H new ATOM 0 HA LEU A 111 8.616 -2.107 5.256 1.00 0.94 H new ATOM 0 HB2 LEU A 111 6.214 -1.766 7.082 1.00 1.04 H new ATOM 0 HB3 LEU A 111 7.446 -0.534 6.891 1.00 1.04 H new ATOM 0 HG LEU A 111 6.846 -0.044 4.738 1.00 1.62 H new ATOM 0 HD11 LEU A 111 5.195 -1.123 3.297 1.00 3.38 H new ATOM 0 HD12 LEU A 111 6.636 -2.120 3.609 1.00 3.38 H new ATOM 0 HD13 LEU A 111 5.107 -2.479 4.446 1.00 3.38 H new ATOM 0 HD21 LEU A 111 4.294 0.342 4.933 1.00 1.80 H new ATOM 0 HD22 LEU A 111 4.264 -0.849 6.255 1.00 1.80 H new ATOM 0 HD23 LEU A 111 5.135 0.689 6.462 1.00 1.80 H new ATOM 1612 N MET A 112 10.127 -3.175 6.989 1.00 1.00 N ATOM 1613 CA MET A 112 11.100 -3.657 7.980 1.00 1.24 C ATOM 1614 C MET A 112 12.039 -2.552 8.499 1.00 1.13 C ATOM 1615 O MET A 112 12.633 -1.801 7.712 1.00 1.05 O ATOM 1616 CB MET A 112 11.889 -4.819 7.347 1.00 1.70 C ATOM 1617 CG MET A 112 12.892 -5.478 8.303 1.00 2.17 C ATOM 1618 SD MET A 112 13.697 -6.978 7.680 1.00 2.73 S ATOM 1619 CE MET A 112 14.646 -6.324 6.285 1.00 2.16 C ATOM 0 H MET A 112 10.483 -3.208 6.034 1.00 1.00 H new ATOM 0 HA MET A 112 10.558 -4.000 8.861 1.00 1.24 H new ATOM 0 HB2 MET A 112 11.186 -5.574 6.995 1.00 1.70 H new ATOM 0 HB3 MET A 112 12.424 -4.449 6.472 1.00 1.70 H new ATOM 0 HG2 MET A 112 13.664 -4.749 8.551 1.00 2.17 H new ATOM 0 HG3 MET A 112 12.375 -5.723 9.231 1.00 2.17 H new ATOM 0 HE1 MET A 112 15.248 -7.121 5.849 1.00 2.16 H new ATOM 0 HE2 MET A 112 13.962 -5.932 5.532 1.00 2.16 H new ATOM 0 HE3 MET A 112 15.300 -5.524 6.633 1.00 2.16 H new ATOM 1629 N GLY A 113 12.221 -2.477 9.825 1.00 1.35 N ATOM 1630 CA GLY A 113 13.361 -1.807 10.484 1.00 1.31 C ATOM 1631 C GLY A 113 13.067 -0.706 11.521 1.00 1.82 C ATOM 1632 O GLY A 113 13.937 -0.453 12.358 1.00 2.88 O ATOM 0 H GLY A 113 11.566 -2.889 10.489 1.00 1.35 H new ATOM 0 HA2 GLY A 113 13.958 -2.575 10.976 1.00 1.31 H new ATOM 0 HA3 GLY A 113 13.985 -1.370 9.704 1.00 1.31 H new ATOM 1636 N LEU A 114 11.885 -0.070 11.536 1.00 1.72 N ATOM 1637 CA LEU A 114 11.511 0.896 12.592 1.00 2.15 C ATOM 1638 C LEU A 114 10.008 1.167 12.777 1.00 1.68 C ATOM 1639 O LEU A 114 9.462 0.765 13.795 1.00 3.23 O ATOM 1640 CB LEU A 114 12.362 2.195 12.594 1.00 4.48 C ATOM 1641 CG LEU A 114 12.429 2.964 11.260 1.00 5.17 C ATOM 1642 CD1 LEU A 114 12.249 4.473 11.481 1.00 6.33 C ATOM 1643 CD2 LEU A 114 13.742 2.713 10.505 1.00 7.51 C ATOM 0 H LEU A 114 11.165 -0.206 10.826 1.00 1.72 H new ATOM 0 HA LEU A 114 11.780 0.348 13.495 1.00 2.15 H new ATOM 0 HB2 LEU A 114 11.964 2.865 13.356 1.00 4.48 H new ATOM 0 HB3 LEU A 114 13.378 1.939 12.894 1.00 4.48 H new ATOM 0 HG LEU A 114 11.609 2.586 10.649 1.00 5.17 H new ATOM 0 HD11 LEU A 114 12.301 4.990 10.523 1.00 6.33 H new ATOM 0 HD12 LEU A 114 11.279 4.660 11.942 1.00 6.33 H new ATOM 0 HD13 LEU A 114 13.039 4.842 12.135 1.00 6.33 H new ATOM 0 HD21 LEU A 114 13.739 3.277 9.572 1.00 7.51 H new ATOM 0 HD22 LEU A 114 14.583 3.033 11.120 1.00 7.51 H new ATOM 0 HD23 LEU A 114 13.838 1.650 10.285 1.00 7.51 H new ATOM 1655 N LYS A 115 9.380 1.954 11.896 1.00 2.08 N ATOM 1656 CA LYS A 115 8.000 2.495 11.911 1.00 4.19 C ATOM 1657 C LYS A 115 7.612 3.433 13.069 1.00 3.85 C ATOM 1658 O LYS A 115 6.813 4.337 12.852 1.00 5.75 O ATOM 1659 CB LYS A 115 7.007 1.332 11.823 1.00 5.90 C ATOM 1660 CG LYS A 115 7.140 0.560 10.508 1.00 6.45 C ATOM 1661 CD LYS A 115 6.340 1.166 9.337 1.00 8.11 C ATOM 1662 CE LYS A 115 7.131 2.089 8.396 1.00 7.09 C ATOM 1663 NZ LYS A 115 6.247 3.052 7.695 1.00 8.70 N ATOM 0 H LYS A 115 9.874 2.266 11.060 1.00 2.08 H new ATOM 0 HA LYS A 115 7.961 3.150 11.041 1.00 4.19 H new ATOM 0 HB2 LYS A 115 7.170 0.653 12.660 1.00 5.90 H new ATOM 0 HB3 LYS A 115 5.991 1.715 11.917 1.00 5.90 H new ATOM 0 HG2 LYS A 115 8.193 0.516 10.230 1.00 6.45 H new ATOM 0 HG3 LYS A 115 6.809 -0.466 10.667 1.00 6.45 H new ATOM 0 HD2 LYS A 115 5.920 0.351 8.748 1.00 8.11 H new ATOM 0 HD3 LYS A 115 5.501 1.728 9.747 1.00 8.11 H new ATOM 0 HE2 LYS A 115 7.881 2.635 8.969 1.00 7.09 H new ATOM 0 HE3 LYS A 115 7.666 1.487 7.662 1.00 7.09 H new ATOM 0 HZ1 LYS A 115 6.723 3.401 6.839 1.00 8.70 H new ATOM 0 HZ2 LYS A 115 5.360 2.579 7.429 1.00 8.70 H new ATOM 0 HZ3 LYS A 115 6.037 3.853 8.325 1.00 8.70 H new ATOM 1677 N ARG A 116 8.176 3.190 14.255 1.00 1.80 N ATOM 1678 CA ARG A 116 7.589 3.342 15.601 1.00 1.62 C ATOM 1679 C ARG A 116 6.583 2.189 15.822 1.00 1.24 C ATOM 1680 O ARG A 116 5.904 1.837 14.855 1.00 1.28 O ATOM 1681 CB ARG A 116 7.022 4.753 15.948 1.00 2.06 C ATOM 1682 CG ARG A 116 5.537 5.080 15.643 1.00 3.52 C ATOM 1683 CD ARG A 116 4.929 6.145 16.585 1.00 3.86 C ATOM 1684 NE ARG A 116 5.299 7.542 16.253 1.00 4.16 N ATOM 1685 CZ ARG A 116 4.550 8.425 15.590 1.00 5.40 C ATOM 1686 NH1 ARG A 116 3.348 8.159 15.142 1.00 6.36 N ATOM 1687 NH2 ARG A 116 4.977 9.649 15.356 1.00 6.25 N ATOM 0 H ARG A 116 9.137 2.853 14.309 1.00 1.80 H new ATOM 0 HA ARG A 116 8.403 3.268 16.322 1.00 1.62 H new ATOM 0 HB2 ARG A 116 7.178 4.914 17.015 1.00 2.06 H new ATOM 0 HB3 ARG A 116 7.632 5.488 15.422 1.00 2.06 H new ATOM 0 HG2 ARG A 116 5.455 5.429 14.614 1.00 3.52 H new ATOM 0 HG3 ARG A 116 4.950 4.165 15.717 1.00 3.52 H new ATOM 0 HD2 ARG A 116 3.843 6.055 16.562 1.00 3.86 H new ATOM 0 HD3 ARG A 116 5.245 5.932 17.606 1.00 3.86 H new ATOM 0 HE ARG A 116 6.218 7.860 16.562 1.00 4.16 H new ATOM 0 HH11 ARG A 116 2.940 7.237 15.294 1.00 6.36 H new ATOM 0 HH12 ARG A 116 2.821 8.874 14.641 1.00 6.36 H new ATOM 0 HH21 ARG A 116 5.898 9.939 15.684 1.00 6.25 H new ATOM 0 HH22 ARG A 116 4.386 10.307 14.847 1.00 6.25 H new ATOM 1701 N PRO A 117 6.452 1.603 17.025 1.00 1.38 N ATOM 1702 CA PRO A 117 5.320 0.738 17.334 1.00 1.46 C ATOM 1703 C PRO A 117 4.051 1.596 17.383 1.00 1.29 C ATOM 1704 O PRO A 117 4.096 2.735 17.848 1.00 1.53 O ATOM 1705 CB PRO A 117 5.654 0.097 18.678 1.00 2.08 C ATOM 1706 CG PRO A 117 6.534 1.149 19.354 1.00 2.32 C ATOM 1707 CD PRO A 117 7.294 1.791 18.195 1.00 1.93 C ATOM 0 HA PRO A 117 5.142 -0.039 16.591 1.00 1.46 H new ATOM 0 HB2 PRO A 117 4.756 -0.112 19.260 1.00 2.08 H new ATOM 0 HB3 PRO A 117 6.180 -0.849 18.554 1.00 2.08 H new ATOM 0 HG2 PRO A 117 5.936 1.882 19.895 1.00 2.32 H new ATOM 0 HG3 PRO A 117 7.214 0.697 20.076 1.00 2.32 H new ATOM 0 HD2 PRO A 117 7.474 2.850 18.383 1.00 1.93 H new ATOM 0 HD3 PRO A 117 8.268 1.322 18.057 1.00 1.93 H new ATOM 1715 N LEU A 118 2.932 1.066 16.880 1.00 1.20 N ATOM 1716 CA LEU A 118 1.697 1.840 16.674 1.00 1.10 C ATOM 1717 C LEU A 118 0.450 0.970 16.808 1.00 1.04 C ATOM 1718 O LEU A 118 0.421 -0.180 16.361 1.00 1.30 O ATOM 1719 CB LEU A 118 1.679 2.676 15.370 1.00 1.32 C ATOM 1720 CG LEU A 118 2.473 2.122 14.183 1.00 1.44 C ATOM 1721 CD1 LEU A 118 1.890 0.818 13.626 1.00 2.75 C ATOM 1722 CD2 LEU A 118 2.563 3.171 13.067 1.00 2.00 C ATOM 0 H LEU A 118 2.853 0.088 16.603 1.00 1.20 H new ATOM 0 HA LEU A 118 1.683 2.572 17.482 1.00 1.10 H new ATOM 0 HB2 LEU A 118 0.642 2.796 15.058 1.00 1.32 H new ATOM 0 HB3 LEU A 118 2.061 3.671 15.599 1.00 1.32 H new ATOM 0 HG LEU A 118 3.470 1.891 14.558 1.00 1.44 H new ATOM 0 HD11 LEU A 118 2.497 0.477 12.787 1.00 2.75 H new ATOM 0 HD12 LEU A 118 1.889 0.057 14.407 1.00 2.75 H new ATOM 0 HD13 LEU A 118 0.869 0.991 13.288 1.00 2.75 H new ATOM 0 HD21 LEU A 118 3.130 2.764 12.230 1.00 2.00 H new ATOM 0 HD22 LEU A 118 1.559 3.433 12.732 1.00 2.00 H new ATOM 0 HD23 LEU A 118 3.064 4.062 13.445 1.00 2.00 H new ATOM 1734 N LYS A 119 -0.595 1.549 17.406 1.00 1.05 N ATOM 1735 CA LYS A 119 -1.882 0.901 17.640 1.00 1.06 C ATOM 1736 C LYS A 119 -2.856 1.029 16.454 1.00 0.91 C ATOM 1737 O LYS A 119 -2.777 1.996 15.691 1.00 0.95 O ATOM 1738 CB LYS A 119 -2.506 1.417 18.956 1.00 1.48 C ATOM 1739 CG LYS A 119 -3.055 2.863 18.960 1.00 2.06 C ATOM 1740 CD LYS A 119 -1.984 3.963 19.059 1.00 3.19 C ATOM 1741 CE LYS A 119 -2.628 5.355 19.123 1.00 4.83 C ATOM 1742 NZ LYS A 119 -1.614 6.397 19.415 1.00 6.34 N ATOM 0 H LYS A 119 -0.565 2.509 17.749 1.00 1.05 H new ATOM 0 HA LYS A 119 -1.690 -0.168 17.738 1.00 1.06 H new ATOM 0 HB2 LYS A 119 -3.320 0.746 19.229 1.00 1.48 H new ATOM 0 HB3 LYS A 119 -1.753 1.340 19.740 1.00 1.48 H new ATOM 0 HG2 LYS A 119 -3.632 3.019 18.049 1.00 2.06 H new ATOM 0 HG3 LYS A 119 -3.745 2.972 19.797 1.00 2.06 H new ATOM 0 HD2 LYS A 119 -1.372 3.801 19.946 1.00 3.19 H new ATOM 0 HD3 LYS A 119 -1.318 3.906 18.198 1.00 3.19 H new ATOM 0 HE2 LYS A 119 -3.119 5.576 18.176 1.00 4.83 H new ATOM 0 HE3 LYS A 119 -3.400 5.368 19.893 1.00 4.83 H new ATOM 0 HZ1 LYS A 119 -2.089 7.309 19.570 1.00 6.34 H new ATOM 0 HZ2 LYS A 119 -1.082 6.134 20.269 1.00 6.34 H new ATOM 0 HZ3 LYS A 119 -0.960 6.480 18.611 1.00 6.34 H new ATOM 1756 N VAL A 120 -3.820 0.105 16.395 1.00 1.15 N ATOM 1757 CA VAL A 120 -4.975 -0.020 15.452 1.00 1.29 C ATOM 1758 C VAL A 120 -5.863 1.227 15.155 1.00 1.34 C ATOM 1759 O VAL A 120 -6.918 1.080 14.542 1.00 1.86 O ATOM 1760 CB VAL A 120 -5.897 -1.205 15.869 1.00 1.60 C ATOM 1761 CG1 VAL A 120 -5.252 -2.567 15.594 1.00 3.22 C ATOM 1762 CG2 VAL A 120 -6.387 -1.100 17.325 1.00 2.15 C ATOM 0 H VAL A 120 -3.827 -0.661 17.069 1.00 1.15 H new ATOM 0 HA VAL A 120 -4.456 -0.184 14.508 1.00 1.29 H new ATOM 0 HB VAL A 120 -6.780 -1.128 15.235 1.00 1.60 H new ATOM 0 HG11 VAL A 120 -5.933 -3.361 15.901 1.00 3.22 H new ATOM 0 HG12 VAL A 120 -5.042 -2.662 14.529 1.00 3.22 H new ATOM 0 HG13 VAL A 120 -4.322 -2.649 16.156 1.00 3.22 H new ATOM 0 HG21 VAL A 120 -7.025 -1.953 17.557 1.00 2.15 H new ATOM 0 HG22 VAL A 120 -5.530 -1.094 17.998 1.00 2.15 H new ATOM 0 HG23 VAL A 120 -6.954 -0.178 17.452 1.00 2.15 H new ATOM 1772 N GLY A 121 -5.480 2.444 15.562 1.00 1.26 N ATOM 1773 CA GLY A 121 -6.206 3.703 15.301 1.00 1.44 C ATOM 1774 C GLY A 121 -5.335 4.915 14.950 1.00 1.45 C ATOM 1775 O GLY A 121 -5.826 6.045 14.923 1.00 1.63 O ATOM 0 H GLY A 121 -4.627 2.589 16.101 1.00 1.26 H new ATOM 0 HA2 GLY A 121 -6.906 3.534 14.483 1.00 1.44 H new ATOM 0 HA3 GLY A 121 -6.798 3.948 16.182 1.00 1.44 H new ATOM 1779 N GLU A 122 -4.036 4.713 14.716 1.00 1.35 N ATOM 1780 CA GLU A 122 -3.071 5.800 14.505 1.00 1.33 C ATOM 1781 C GLU A 122 -2.993 6.261 13.034 1.00 1.34 C ATOM 1782 O GLU A 122 -3.340 5.505 12.122 1.00 1.43 O ATOM 1783 CB GLU A 122 -1.709 5.369 15.072 1.00 1.37 C ATOM 1784 CG GLU A 122 -0.681 6.512 15.129 1.00 1.50 C ATOM 1785 CD GLU A 122 0.444 6.200 16.116 1.00 1.71 C ATOM 1786 OE1 GLU A 122 0.102 5.999 17.318 1.00 1.65 O ATOM 1787 OE2 GLU A 122 1.609 6.192 15.682 1.00 3.10 O ATOM 0 H GLU A 122 -3.619 3.783 14.667 1.00 1.35 H new ATOM 0 HA GLU A 122 -3.413 6.683 15.044 1.00 1.33 H new ATOM 0 HB2 GLU A 122 -1.852 4.969 16.076 1.00 1.37 H new ATOM 0 HB3 GLU A 122 -1.309 4.560 14.460 1.00 1.37 H new ATOM 0 HG2 GLU A 122 -0.261 6.676 14.136 1.00 1.50 H new ATOM 0 HG3 GLU A 122 -1.178 7.437 15.422 1.00 1.50 H new ATOM 1794 N THR A 123 -2.558 7.513 12.821 1.00 1.41 N ATOM 1795 CA THR A 123 -2.302 8.112 11.504 1.00 1.58 C ATOM 1796 C THR A 123 -0.809 8.360 11.335 1.00 1.36 C ATOM 1797 O THR A 123 -0.110 8.713 12.284 1.00 1.44 O ATOM 1798 CB THR A 123 -3.159 9.363 11.278 1.00 2.09 C ATOM 1799 OG1 THR A 123 -2.991 9.742 9.933 1.00 3.55 O ATOM 1800 CG2 THR A 123 -2.817 10.542 12.193 1.00 2.71 C ATOM 0 H THR A 123 -2.369 8.157 13.589 1.00 1.41 H new ATOM 0 HA THR A 123 -2.604 7.413 10.724 1.00 1.58 H new ATOM 0 HB THR A 123 -4.191 9.107 11.519 1.00 2.09 H new ATOM 0 HG1 THR A 123 -3.527 10.541 9.749 1.00 3.55 H new ATOM 0 HG21 THR A 123 -3.472 11.383 11.964 1.00 2.71 H new ATOM 0 HG22 THR A 123 -2.956 10.247 13.233 1.00 2.71 H new ATOM 0 HG23 THR A 123 -1.780 10.837 12.035 1.00 2.71 H new ATOM 1808 N VAL A 124 -0.332 8.107 10.119 1.00 1.21 N ATOM 1809 CA VAL A 124 1.076 7.813 9.798 1.00 1.06 C ATOM 1810 C VAL A 124 1.450 8.434 8.450 1.00 1.06 C ATOM 1811 O VAL A 124 0.643 8.481 7.521 1.00 1.21 O ATOM 1812 CB VAL A 124 1.331 6.281 9.717 1.00 1.17 C ATOM 1813 CG1 VAL A 124 2.836 5.947 9.754 1.00 2.58 C ATOM 1814 CG2 VAL A 124 0.639 5.471 10.829 1.00 2.11 C ATOM 0 H VAL A 124 -0.932 8.099 9.294 1.00 1.21 H new ATOM 0 HA VAL A 124 1.686 8.237 10.596 1.00 1.06 H new ATOM 0 HB VAL A 124 0.896 5.990 8.761 1.00 1.17 H new ATOM 0 HG11 VAL A 124 2.971 4.867 9.695 1.00 2.58 H new ATOM 0 HG12 VAL A 124 3.335 6.421 8.909 1.00 2.58 H new ATOM 0 HG13 VAL A 124 3.268 6.316 10.684 1.00 2.58 H new ATOM 0 HG21 VAL A 124 0.866 4.412 10.703 1.00 2.11 H new ATOM 0 HG22 VAL A 124 1.000 5.806 11.801 1.00 2.11 H new ATOM 0 HG23 VAL A 124 -0.439 5.621 10.771 1.00 2.11 H new ATOM 1824 N ASN A 125 2.696 8.888 8.321 1.00 1.08 N ATOM 1825 CA ASN A 125 3.199 9.458 7.071 1.00 1.18 C ATOM 1826 C ASN A 125 3.544 8.357 6.049 1.00 1.10 C ATOM 1827 O ASN A 125 4.190 7.354 6.370 1.00 1.06 O ATOM 1828 CB ASN A 125 4.394 10.379 7.367 1.00 1.38 C ATOM 1829 CG ASN A 125 4.124 11.287 8.549 1.00 1.59 C ATOM 1830 OD1 ASN A 125 3.292 12.298 8.401 1.00 2.46 O flip ATOM 1831 ND2 ASN A 125 4.607 11.051 9.645 1.00 2.03 N flip ATOM 0 H ASN A 125 3.382 8.872 9.075 1.00 1.08 H new ATOM 0 HA ASN A 125 2.415 10.061 6.613 1.00 1.18 H new ATOM 0 HB2 ASN A 125 5.278 9.774 7.568 1.00 1.38 H new ATOM 0 HB3 ASN A 125 4.614 10.983 6.487 1.00 1.38 H new ATOM 0 HD21 ASN A 125 5.251 10.269 9.761 1.00 2.03 H new ATOM 0 HD22 ASN A 125 4.366 11.636 10.445 1.00 2.03 H new ATOM 1838 N ILE A 126 3.143 8.535 4.786 1.00 1.32 N ATOM 1839 CA ILE A 126 3.363 7.560 3.706 1.00 1.32 C ATOM 1840 C ILE A 126 3.644 8.291 2.391 1.00 1.40 C ATOM 1841 O ILE A 126 3.037 9.324 2.141 1.00 1.40 O ATOM 1842 CB ILE A 126 2.151 6.599 3.638 1.00 1.31 C ATOM 1843 CG1 ILE A 126 2.504 5.207 3.072 1.00 1.80 C ATOM 1844 CG2 ILE A 126 0.924 7.233 2.956 1.00 1.28 C ATOM 1845 CD1 ILE A 126 2.413 5.039 1.552 1.00 2.44 C ATOM 0 H ILE A 126 2.649 9.372 4.478 1.00 1.32 H new ATOM 0 HA ILE A 126 4.244 6.949 3.905 1.00 1.32 H new ATOM 0 HB ILE A 126 1.860 6.422 4.674 1.00 1.31 H new ATOM 0 HG12 ILE A 126 3.520 4.962 3.381 1.00 1.80 H new ATOM 0 HG13 ILE A 126 1.844 4.474 3.535 1.00 1.80 H new ATOM 0 HG21 ILE A 126 0.106 6.513 2.937 1.00 1.28 H new ATOM 0 HG22 ILE A 126 0.616 8.118 3.512 1.00 1.28 H new ATOM 0 HG23 ILE A 126 1.181 7.517 1.935 1.00 1.28 H new ATOM 0 HD11 ILE A 126 2.685 4.019 1.282 1.00 2.44 H new ATOM 0 HD12 ILE A 126 1.393 5.242 1.224 1.00 2.44 H new ATOM 0 HD13 ILE A 126 3.096 5.737 1.067 1.00 2.44 H new ATOM 1857 N THR A 127 4.574 7.780 1.587 1.00 1.52 N ATOM 1858 CA THR A 127 5.057 8.360 0.325 1.00 1.64 C ATOM 1859 C THR A 127 4.352 7.679 -0.845 1.00 1.38 C ATOM 1860 O THR A 127 4.852 6.702 -1.402 1.00 1.62 O ATOM 1861 CB THR A 127 6.596 8.284 0.215 1.00 1.86 C ATOM 1862 OG1 THR A 127 7.136 7.385 1.158 1.00 2.80 O ATOM 1863 CG2 THR A 127 7.223 9.647 0.496 1.00 2.17 C ATOM 0 H THR A 127 5.040 6.900 1.807 1.00 1.52 H new ATOM 0 HA THR A 127 4.811 9.422 0.301 1.00 1.64 H new ATOM 0 HB THR A 127 6.818 7.950 -0.798 1.00 1.86 H new ATOM 0 HG1 THR A 127 7.957 6.989 0.799 1.00 2.80 H new ATOM 0 HG21 THR A 127 8.307 9.573 0.414 1.00 2.17 H new ATOM 0 HG22 THR A 127 6.853 10.374 -0.227 1.00 2.17 H new ATOM 0 HG23 THR A 127 6.957 9.969 1.503 1.00 2.17 H new ATOM 1871 N LEU A 128 3.174 8.191 -1.204 1.00 1.12 N ATOM 1872 CA LEU A 128 2.545 7.925 -2.503 1.00 0.95 C ATOM 1873 C LEU A 128 3.020 8.954 -3.532 1.00 1.13 C ATOM 1874 O LEU A 128 3.523 10.024 -3.206 1.00 2.05 O ATOM 1875 CB LEU A 128 1.000 7.855 -2.442 1.00 1.06 C ATOM 1876 CG LEU A 128 0.268 9.112 -1.924 1.00 1.89 C ATOM 1877 CD1 LEU A 128 -1.164 9.151 -2.471 1.00 2.34 C ATOM 1878 CD2 LEU A 128 0.199 9.177 -0.391 1.00 3.25 C ATOM 0 H LEU A 128 2.625 8.804 -0.601 1.00 1.12 H new ATOM 0 HA LEU A 128 2.864 6.930 -2.814 1.00 0.95 H new ATOM 0 HB2 LEU A 128 0.630 7.634 -3.443 1.00 1.06 H new ATOM 0 HB3 LEU A 128 0.722 7.014 -1.807 1.00 1.06 H new ATOM 0 HG LEU A 128 0.846 9.967 -2.274 1.00 1.89 H new ATOM 0 HD11 LEU A 128 -1.671 10.041 -2.100 1.00 2.34 H new ATOM 0 HD12 LEU A 128 -1.137 9.177 -3.560 1.00 2.34 H new ATOM 0 HD13 LEU A 128 -1.703 8.263 -2.142 1.00 2.34 H new ATOM 0 HD21 LEU A 128 -0.327 10.083 -0.089 1.00 3.25 H new ATOM 0 HD22 LEU A 128 -0.334 8.304 -0.013 1.00 3.25 H new ATOM 0 HD23 LEU A 128 1.209 9.190 0.018 1.00 3.25 H new ATOM 1890 N LYS A 129 2.860 8.627 -4.811 1.00 0.83 N ATOM 1891 CA LYS A 129 3.308 9.452 -5.939 1.00 0.97 C ATOM 1892 C LYS A 129 2.305 9.300 -7.090 1.00 0.99 C ATOM 1893 O LYS A 129 1.944 8.174 -7.452 1.00 1.14 O ATOM 1894 CB LYS A 129 4.724 8.991 -6.361 1.00 1.35 C ATOM 1895 CG LYS A 129 5.839 9.281 -5.338 1.00 2.27 C ATOM 1896 CD LYS A 129 7.113 8.442 -5.472 1.00 3.12 C ATOM 1897 CE LYS A 129 8.005 8.854 -6.641 1.00 2.80 C ATOM 1898 NZ LYS A 129 9.332 8.212 -6.505 1.00 3.73 N ATOM 0 H LYS A 129 2.405 7.762 -5.103 1.00 0.83 H new ATOM 0 HA LYS A 129 3.356 10.505 -5.660 1.00 0.97 H new ATOM 0 HB2 LYS A 129 4.698 7.918 -6.552 1.00 1.35 H new ATOM 0 HB3 LYS A 129 4.981 9.476 -7.303 1.00 1.35 H new ATOM 0 HG2 LYS A 129 6.112 10.333 -5.417 1.00 2.27 H new ATOM 0 HG3 LYS A 129 5.434 9.131 -4.337 1.00 2.27 H new ATOM 0 HD2 LYS A 129 7.685 8.517 -4.547 1.00 3.12 H new ATOM 0 HD3 LYS A 129 6.836 7.395 -5.591 1.00 3.12 H new ATOM 0 HE2 LYS A 129 7.543 8.561 -7.584 1.00 2.80 H new ATOM 0 HE3 LYS A 129 8.115 9.938 -6.663 1.00 2.80 H new ATOM 0 HZ1 LYS A 129 9.937 8.494 -7.302 1.00 3.73 H new ATOM 0 HZ2 LYS A 129 9.773 8.512 -5.612 1.00 3.73 H new ATOM 0 HZ3 LYS A 129 9.219 7.178 -6.505 1.00 3.73 H new ATOM 1912 N ALA A 130 1.868 10.407 -7.686 1.00 1.22 N ATOM 1913 CA ALA A 130 1.157 10.449 -8.965 1.00 1.44 C ATOM 1914 C ALA A 130 2.163 10.637 -10.115 1.00 1.65 C ATOM 1915 O ALA A 130 3.220 11.229 -9.899 1.00 1.79 O ATOM 1916 CB ALA A 130 0.115 11.568 -8.901 1.00 1.82 C ATOM 0 H ALA A 130 2.003 11.332 -7.279 1.00 1.22 H new ATOM 0 HA ALA A 130 0.636 9.511 -9.157 1.00 1.44 H new ATOM 0 HB1 ALA A 130 -0.426 11.616 -9.846 1.00 1.82 H new ATOM 0 HB2 ALA A 130 -0.586 11.366 -8.091 1.00 1.82 H new ATOM 0 HB3 ALA A 130 0.614 12.520 -8.720 1.00 1.82 H new ATOM 1922 N THR A 131 1.848 10.121 -11.313 1.00 1.84 N ATOM 1923 CA THR A 131 2.808 10.003 -12.430 1.00 2.05 C ATOM 1924 C THR A 131 3.041 11.332 -13.152 1.00 2.37 C ATOM 1925 O THR A 131 4.173 11.800 -13.193 1.00 2.91 O ATOM 1926 CB THR A 131 2.442 8.826 -13.351 1.00 2.04 C ATOM 1927 OG1 THR A 131 3.530 8.581 -14.202 1.00 2.32 O ATOM 1928 CG2 THR A 131 1.182 9.014 -14.201 1.00 2.73 C ATOM 0 H THR A 131 0.917 9.771 -11.539 1.00 1.84 H new ATOM 0 HA THR A 131 3.785 9.759 -12.012 1.00 2.05 H new ATOM 0 HB THR A 131 2.218 7.989 -12.690 1.00 2.04 H new ATOM 0 HG1 THR A 131 3.318 7.832 -14.797 1.00 2.32 H new ATOM 0 HG21 THR A 131 1.019 8.125 -14.811 1.00 2.73 H new ATOM 0 HG22 THR A 131 0.323 9.169 -13.549 1.00 2.73 H new ATOM 0 HG23 THR A 131 1.307 9.881 -14.849 1.00 2.73 H new ATOM 1936 N ASP A 132 1.992 12.003 -13.624 1.00 2.37 N ATOM 1937 CA ASP A 132 2.074 13.378 -14.158 1.00 2.81 C ATOM 1938 C ASP A 132 1.939 14.443 -13.053 1.00 2.90 C ATOM 1939 O ASP A 132 2.290 15.604 -13.260 1.00 3.45 O ATOM 1940 CB ASP A 132 0.960 13.587 -15.201 1.00 3.34 C ATOM 1941 CG ASP A 132 1.292 13.049 -16.598 1.00 3.62 C ATOM 1942 OD1 ASP A 132 2.289 12.310 -16.758 1.00 3.54 O ATOM 1943 OD2 ASP A 132 0.529 13.408 -17.528 1.00 4.63 O ATOM 0 H ASP A 132 1.050 11.612 -13.651 1.00 2.37 H new ATOM 0 HA ASP A 132 3.057 13.496 -14.614 1.00 2.81 H new ATOM 0 HB2 ASP A 132 0.050 13.103 -14.845 1.00 3.34 H new ATOM 0 HB3 ASP A 132 0.745 14.653 -15.277 1.00 3.34 H new ATOM 1948 N GLY A 133 1.423 14.035 -11.885 1.00 2.99 N ATOM 1949 CA GLY A 133 1.061 14.918 -10.777 1.00 3.23 C ATOM 1950 C GLY A 133 2.252 15.314 -9.912 1.00 2.91 C ATOM 1951 O GLY A 133 2.848 16.368 -10.130 1.00 3.83 O ATOM 0 H GLY A 133 1.242 13.052 -11.683 1.00 2.99 H new ATOM 0 HA2 GLY A 133 0.594 15.819 -11.176 1.00 3.23 H new ATOM 0 HA3 GLY A 133 0.316 14.422 -10.154 1.00 3.23 H new ATOM 1955 N ARG A 134 2.542 14.524 -8.869 1.00 2.35 N ATOM 1956 CA ARG A 134 3.439 14.869 -7.753 1.00 2.72 C ATOM 1957 C ARG A 134 3.627 13.715 -6.763 1.00 2.85 C ATOM 1958 O ARG A 134 2.764 12.845 -6.627 1.00 3.48 O ATOM 1959 CB ARG A 134 2.966 16.149 -7.017 1.00 3.52 C ATOM 1960 CG ARG A 134 1.569 16.030 -6.373 1.00 4.88 C ATOM 1961 CD ARG A 134 0.850 17.392 -6.362 1.00 5.83 C ATOM 1962 NE ARG A 134 -0.487 17.358 -5.728 1.00 7.55 N ATOM 1963 CZ ARG A 134 -1.575 16.706 -6.130 1.00 8.81 C ATOM 1964 NH1 ARG A 134 -1.557 15.856 -7.137 1.00 8.80 N ATOM 1965 NH2 ARG A 134 -2.702 16.890 -5.482 1.00 10.54 N ATOM 0 H ARG A 134 2.143 13.590 -8.774 1.00 2.35 H new ATOM 0 HA ARG A 134 4.413 15.068 -8.200 1.00 2.72 H new ATOM 0 HB2 ARG A 134 3.691 16.397 -6.242 1.00 3.52 H new ATOM 0 HB3 ARG A 134 2.958 16.979 -7.724 1.00 3.52 H new ATOM 0 HG2 ARG A 134 0.971 15.303 -6.923 1.00 4.88 H new ATOM 0 HG3 ARG A 134 1.665 15.657 -5.353 1.00 4.88 H new ATOM 0 HD2 ARG A 134 1.472 18.116 -5.837 1.00 5.83 H new ATOM 0 HD3 ARG A 134 0.746 17.746 -7.388 1.00 5.83 H new ATOM 0 HE ARG A 134 -0.587 17.905 -4.873 1.00 7.55 H new ATOM 0 HH11 ARG A 134 -0.687 15.678 -7.639 1.00 8.80 H new ATOM 0 HH12 ARG A 134 -2.413 15.376 -7.415 1.00 8.80 H new ATOM 0 HH21 ARG A 134 -2.734 17.525 -4.684 1.00 10.54 H new ATOM 0 HH22 ARG A 134 -3.546 16.398 -5.777 1.00 10.54 H new ATOM 1979 N THR A 135 4.743 13.765 -6.041 1.00 3.30 N ATOM 1980 CA THR A 135 5.020 13.019 -4.802 1.00 3.73 C ATOM 1981 C THR A 135 4.189 13.594 -3.662 1.00 2.40 C ATOM 1982 O THR A 135 3.879 14.781 -3.668 1.00 2.86 O ATOM 1983 CB THR A 135 6.510 13.110 -4.455 1.00 5.68 C ATOM 1984 OG1 THR A 135 7.240 12.721 -5.596 1.00 6.78 O ATOM 1985 CG2 THR A 135 6.943 12.233 -3.275 1.00 6.74 C ATOM 0 H THR A 135 5.526 14.358 -6.314 1.00 3.30 H new ATOM 0 HA THR A 135 4.755 11.972 -4.950 1.00 3.73 H new ATOM 0 HB THR A 135 6.705 14.139 -4.153 1.00 5.68 H new ATOM 0 HG1 THR A 135 8.200 12.771 -5.403 1.00 6.78 H new ATOM 0 HG21 THR A 135 8.011 12.360 -3.100 1.00 6.74 H new ATOM 0 HG22 THR A 135 6.392 12.527 -2.382 1.00 6.74 H new ATOM 0 HG23 THR A 135 6.734 11.188 -3.503 1.00 6.74 H new ATOM 1993 N LEU A 136 3.845 12.755 -2.688 1.00 1.79 N ATOM 1994 CA LEU A 136 3.073 13.126 -1.511 1.00 1.48 C ATOM 1995 C LEU A 136 3.448 12.263 -0.303 1.00 1.53 C ATOM 1996 O LEU A 136 3.328 11.045 -0.366 1.00 1.61 O ATOM 1997 CB LEU A 136 1.579 13.021 -1.865 1.00 2.82 C ATOM 1998 CG LEU A 136 0.725 13.958 -0.996 1.00 3.73 C ATOM 1999 CD1 LEU A 136 0.769 15.400 -1.526 1.00 4.56 C ATOM 2000 CD2 LEU A 136 -0.730 13.472 -0.952 1.00 4.89 C ATOM 0 H LEU A 136 4.105 11.769 -2.699 1.00 1.79 H new ATOM 0 HA LEU A 136 3.299 14.152 -1.222 1.00 1.48 H new ATOM 0 HB2 LEU A 136 1.435 13.268 -2.917 1.00 2.82 H new ATOM 0 HB3 LEU A 136 1.244 11.993 -1.730 1.00 2.82 H new ATOM 0 HG LEU A 136 1.141 13.944 0.011 1.00 3.73 H new ATOM 0 HD11 LEU A 136 0.156 16.040 -0.891 1.00 4.56 H new ATOM 0 HD12 LEU A 136 1.798 15.760 -1.518 1.00 4.56 H new ATOM 0 HD13 LEU A 136 0.384 15.425 -2.546 1.00 4.56 H new ATOM 0 HD21 LEU A 136 -1.320 14.147 -0.332 1.00 4.89 H new ATOM 0 HD22 LEU A 136 -1.139 13.456 -1.962 1.00 4.89 H new ATOM 0 HD23 LEU A 136 -0.766 12.468 -0.530 1.00 4.89 H new ATOM 2012 N ASN A 137 3.901 12.890 0.788 1.00 2.00 N ATOM 2013 CA ASN A 137 4.523 12.234 1.953 1.00 2.74 C ATOM 2014 C ASN A 137 3.620 12.148 3.208 1.00 3.47 C ATOM 2015 O ASN A 137 4.084 12.349 4.330 1.00 5.28 O ATOM 2016 CB ASN A 137 5.921 12.849 2.222 1.00 3.64 C ATOM 2017 CG ASN A 137 5.918 14.184 2.979 1.00 3.94 C ATOM 2018 OD1 ASN A 137 5.355 15.177 2.541 1.00 4.04 O ATOM 2019 ND2 ASN A 137 6.544 14.248 4.141 1.00 5.02 N ATOM 0 H ASN A 137 3.845 13.903 0.892 1.00 2.00 H new ATOM 0 HA ASN A 137 4.661 11.184 1.694 1.00 2.74 H new ATOM 0 HB2 ASN A 137 6.512 12.130 2.789 1.00 3.64 H new ATOM 0 HB3 ASN A 137 6.426 12.993 1.267 1.00 3.64 H new ATOM 0 HD21 ASN A 137 6.555 15.122 4.667 1.00 5.02 H new ATOM 0 HD22 ASN A 137 7.016 13.423 4.512 1.00 5.02 H new ATOM 2026 N VAL A 138 2.335 11.819 3.057 1.00 2.32 N ATOM 2027 CA VAL A 138 1.349 11.738 4.134 1.00 2.98 C ATOM 2028 C VAL A 138 0.125 10.969 3.622 1.00 1.56 C ATOM 2029 O VAL A 138 -0.069 10.913 2.411 1.00 2.30 O ATOM 2030 CB VAL A 138 1.003 13.151 4.670 1.00 4.87 C ATOM 2031 CG1 VAL A 138 0.129 13.968 3.706 1.00 5.40 C ATOM 2032 CG2 VAL A 138 0.437 13.051 6.091 1.00 6.59 C ATOM 0 H VAL A 138 1.939 11.593 2.145 1.00 2.32 H new ATOM 0 HA VAL A 138 1.757 11.192 4.985 1.00 2.98 H new ATOM 0 HB VAL A 138 1.927 13.726 4.730 1.00 4.87 H new ATOM 0 HG11 VAL A 138 -0.077 14.946 4.141 1.00 5.40 H new ATOM 0 HG12 VAL A 138 0.653 14.095 2.759 1.00 5.40 H new ATOM 0 HG13 VAL A 138 -0.811 13.443 3.533 1.00 5.40 H new ATOM 0 HG21 VAL A 138 0.197 14.049 6.458 1.00 6.59 H new ATOM 0 HG22 VAL A 138 -0.467 12.441 6.081 1.00 6.59 H new ATOM 0 HG23 VAL A 138 1.177 12.592 6.746 1.00 6.59 H new ATOM 2042 N ALA A 139 -0.646 10.377 4.546 1.00 2.03 N ATOM 2043 CA ALA A 139 -2.006 9.814 4.396 1.00 2.10 C ATOM 2044 C ALA A 139 -2.091 8.267 4.495 1.00 2.15 C ATOM 2045 O ALA A 139 -2.636 7.605 3.608 1.00 2.67 O ATOM 2046 CB ALA A 139 -2.779 10.394 3.194 1.00 3.95 C ATOM 0 H ALA A 139 -0.309 10.268 5.503 1.00 2.03 H new ATOM 0 HA ALA A 139 -2.532 10.161 5.285 1.00 2.10 H new ATOM 0 HB1 ALA A 139 -3.768 9.938 3.143 1.00 3.95 H new ATOM 0 HB2 ALA A 139 -2.883 11.472 3.314 1.00 3.95 H new ATOM 0 HB3 ALA A 139 -2.234 10.182 2.274 1.00 3.95 H new ATOM 2052 N ALA A 140 -1.566 7.680 5.580 1.00 1.83 N ATOM 2053 CA ALA A 140 -1.804 6.278 5.946 1.00 1.75 C ATOM 2054 C ALA A 140 -2.394 6.192 7.354 1.00 1.43 C ATOM 2055 O ALA A 140 -2.029 6.997 8.214 1.00 1.50 O ATOM 2056 CB ALA A 140 -0.500 5.475 5.874 1.00 1.77 C ATOM 0 H ALA A 140 -0.958 8.171 6.235 1.00 1.83 H new ATOM 0 HA ALA A 140 -2.515 5.853 5.238 1.00 1.75 H new ATOM 0 HB1 ALA A 140 -0.695 4.438 6.148 1.00 1.77 H new ATOM 0 HB2 ALA A 140 -0.105 5.513 4.859 1.00 1.77 H new ATOM 0 HB3 ALA A 140 0.229 5.902 6.563 1.00 1.77 H new ATOM 2062 N THR A 141 -3.247 5.193 7.592 1.00 1.20 N ATOM 2063 CA THR A 141 -3.891 4.936 8.889 1.00 1.14 C ATOM 2064 C THR A 141 -3.634 3.496 9.295 1.00 0.91 C ATOM 2065 O THR A 141 -3.491 2.624 8.443 1.00 0.89 O ATOM 2066 CB THR A 141 -5.407 5.182 8.841 1.00 1.36 C ATOM 2067 OG1 THR A 141 -5.734 6.278 8.011 1.00 1.61 O ATOM 2068 CG2 THR A 141 -5.948 5.501 10.239 1.00 1.59 C ATOM 0 H THR A 141 -3.518 4.522 6.873 1.00 1.20 H new ATOM 0 HA THR A 141 -3.464 5.627 9.616 1.00 1.14 H new ATOM 0 HB THR A 141 -5.853 4.269 8.446 1.00 1.36 H new ATOM 0 HG1 THR A 141 -6.706 6.404 8.003 1.00 1.61 H new ATOM 0 HG21 THR A 141 -7.023 5.672 10.183 1.00 1.59 H new ATOM 0 HG22 THR A 141 -5.748 4.663 10.906 1.00 1.59 H new ATOM 0 HG23 THR A 141 -5.458 6.396 10.623 1.00 1.59 H new ATOM 2076 N VAL A 142 -3.583 3.210 10.584 1.00 0.92 N ATOM 2077 CA VAL A 142 -3.390 1.845 11.102 1.00 0.84 C ATOM 2078 C VAL A 142 -4.740 1.178 11.422 1.00 0.97 C ATOM 2079 O VAL A 142 -5.648 1.862 11.892 1.00 1.21 O ATOM 2080 CB VAL A 142 -2.524 1.877 12.381 1.00 0.90 C ATOM 2081 CG1 VAL A 142 -2.016 0.478 12.736 1.00 1.31 C ATOM 2082 CG2 VAL A 142 -1.283 2.786 12.325 1.00 1.25 C ATOM 0 H VAL A 142 -3.674 3.916 11.315 1.00 0.92 H new ATOM 0 HA VAL A 142 -2.885 1.264 10.330 1.00 0.84 H new ATOM 0 HB VAL A 142 -3.206 2.284 13.128 1.00 0.90 H new ATOM 0 HG11 VAL A 142 -1.409 0.530 13.640 1.00 1.31 H new ATOM 0 HG12 VAL A 142 -2.864 -0.185 12.906 1.00 1.31 H new ATOM 0 HG13 VAL A 142 -1.412 0.091 11.915 1.00 1.31 H new ATOM 0 HG21 VAL A 142 -0.749 2.732 13.274 1.00 1.25 H new ATOM 0 HG22 VAL A 142 -0.626 2.456 11.520 1.00 1.25 H new ATOM 0 HG23 VAL A 142 -1.593 3.815 12.141 1.00 1.25 H new ATOM 2092 N LYS A 143 -4.873 -0.149 11.221 1.00 0.96 N ATOM 2093 CA LYS A 143 -6.116 -0.893 11.548 1.00 1.18 C ATOM 2094 C LYS A 143 -5.985 -2.419 11.832 1.00 1.24 C ATOM 2095 O LYS A 143 -6.951 -3.023 12.295 1.00 2.32 O ATOM 2096 CB LYS A 143 -7.139 -0.597 10.417 1.00 1.53 C ATOM 2097 CG LYS A 143 -8.590 -1.055 10.665 1.00 1.86 C ATOM 2098 CD LYS A 143 -9.556 -0.481 9.612 1.00 2.39 C ATOM 2099 CE LYS A 143 -10.916 -1.191 9.700 1.00 2.94 C ATOM 2100 NZ LYS A 143 -11.908 -0.675 8.724 1.00 3.65 N ATOM 0 H LYS A 143 -4.133 -0.734 10.832 1.00 0.96 H new ATOM 0 HA LYS A 143 -6.449 -0.528 12.519 1.00 1.18 H new ATOM 0 HB2 LYS A 143 -7.147 0.478 10.237 1.00 1.53 H new ATOM 0 HB3 LYS A 143 -6.783 -1.071 9.502 1.00 1.53 H new ATOM 0 HG2 LYS A 143 -8.636 -2.144 10.646 1.00 1.86 H new ATOM 0 HG3 LYS A 143 -8.906 -0.740 11.659 1.00 1.86 H new ATOM 0 HD2 LYS A 143 -9.685 0.590 9.771 1.00 2.39 H new ATOM 0 HD3 LYS A 143 -9.135 -0.607 8.614 1.00 2.39 H new ATOM 0 HE2 LYS A 143 -10.773 -2.259 9.533 1.00 2.94 H new ATOM 0 HE3 LYS A 143 -11.314 -1.076 10.708 1.00 2.94 H new ATOM 0 HZ1 LYS A 143 -12.803 -1.193 8.832 1.00 3.65 H new ATOM 0 HZ2 LYS A 143 -12.070 0.338 8.897 1.00 3.65 H new ATOM 0 HZ3 LYS A 143 -11.546 -0.808 7.758 1.00 3.65 H new ATOM 2114 N LYS A 144 -4.820 -3.050 11.608 1.00 2.05 N ATOM 2115 CA LYS A 144 -4.659 -4.538 11.519 1.00 2.30 C ATOM 2116 C LYS A 144 -5.709 -5.242 10.607 1.00 2.53 C ATOM 2117 O LYS A 144 -6.387 -4.589 9.817 1.00 3.48 O ATOM 2118 CB LYS A 144 -4.571 -5.166 12.942 1.00 2.58 C ATOM 2119 CG LYS A 144 -3.145 -5.433 13.445 1.00 4.26 C ATOM 2120 CD LYS A 144 -2.519 -6.743 12.930 1.00 5.98 C ATOM 2121 CE LYS A 144 -1.105 -6.861 13.519 1.00 7.45 C ATOM 2122 NZ LYS A 144 -0.386 -8.099 13.139 1.00 9.15 N ATOM 0 H LYS A 144 -3.942 -2.547 11.480 1.00 2.05 H new ATOM 0 HA LYS A 144 -3.711 -4.718 11.012 1.00 2.30 H new ATOM 0 HB2 LYS A 144 -5.071 -4.502 13.647 1.00 2.58 H new ATOM 0 HB3 LYS A 144 -5.123 -6.106 12.943 1.00 2.58 H new ATOM 0 HG2 LYS A 144 -2.507 -4.600 13.149 1.00 4.26 H new ATOM 0 HG3 LYS A 144 -3.156 -5.455 14.535 1.00 4.26 H new ATOM 0 HD2 LYS A 144 -3.127 -7.598 13.226 1.00 5.98 H new ATOM 0 HD3 LYS A 144 -2.479 -6.743 11.841 1.00 5.98 H new ATOM 0 HE2 LYS A 144 -0.518 -6.001 13.198 1.00 7.45 H new ATOM 0 HE3 LYS A 144 -1.172 -6.813 14.606 1.00 7.45 H new ATOM 0 HZ1 LYS A 144 0.436 -8.228 13.762 1.00 9.15 H new ATOM 0 HZ2 LYS A 144 -1.024 -8.914 13.235 1.00 9.15 H new ATOM 0 HZ3 LYS A 144 -0.064 -8.025 12.153 1.00 9.15 H new ATOM 2136 N ASN A 145 -5.784 -6.581 10.700 1.00 2.41 N ATOM 2137 CA ASN A 145 -6.626 -7.546 9.952 1.00 3.19 C ATOM 2138 C ASN A 145 -6.138 -9.010 10.148 1.00 2.90 C ATOM 2139 O ASN A 145 -6.188 -9.819 9.221 1.00 3.79 O ATOM 2140 CB ASN A 145 -6.800 -7.184 8.452 1.00 4.48 C ATOM 2141 CG ASN A 145 -5.494 -7.046 7.666 1.00 5.38 C ATOM 2142 OD1 ASN A 145 -4.392 -7.084 8.204 1.00 5.54 O ATOM 2143 ND2 ASN A 145 -5.584 -6.867 6.361 1.00 7.01 N ATOM 0 H ASN A 145 -5.195 -7.072 11.372 1.00 2.41 H new ATOM 0 HA ASN A 145 -7.623 -7.472 10.387 1.00 3.19 H new ATOM 0 HB2 ASN A 145 -7.413 -7.950 7.977 1.00 4.48 H new ATOM 0 HB3 ASN A 145 -7.350 -6.246 8.381 1.00 4.48 H new ATOM 0 HD21 ASN A 145 -4.738 -6.761 5.801 1.00 7.01 H new ATOM 0 HD22 ASN A 145 -6.500 -6.835 5.913 1.00 7.01 H new ATOM 2150 N ILE A 146 -5.576 -9.331 11.327 1.00 2.33 N ATOM 2151 CA ILE A 146 -4.960 -10.638 11.651 1.00 2.61 C ATOM 2152 C ILE A 146 -5.112 -10.913 13.166 1.00 3.25 C ATOM 2153 O ILE A 146 -6.064 -11.578 13.566 1.00 4.07 O ATOM 2154 CB ILE A 146 -3.483 -10.751 11.156 1.00 2.91 C ATOM 2155 CG1 ILE A 146 -3.209 -10.254 9.717 1.00 3.37 C ATOM 2156 CG2 ILE A 146 -3.053 -12.222 11.290 1.00 4.21 C ATOM 2157 CD1 ILE A 146 -1.730 -10.286 9.307 1.00 4.25 C ATOM 0 H ILE A 146 -5.535 -8.673 12.105 1.00 2.33 H new ATOM 0 HA ILE A 146 -5.491 -11.417 11.105 1.00 2.61 H new ATOM 0 HB ILE A 146 -2.899 -10.079 11.785 1.00 2.91 H new ATOM 0 HG12 ILE A 146 -3.780 -10.866 9.019 1.00 3.37 H new ATOM 0 HG13 ILE A 146 -3.578 -9.233 9.622 1.00 3.37 H new ATOM 0 HG21 ILE A 146 -2.023 -12.332 10.951 1.00 4.21 H new ATOM 0 HG22 ILE A 146 -3.126 -12.529 12.333 1.00 4.21 H new ATOM 0 HG23 ILE A 146 -3.705 -12.848 10.681 1.00 4.21 H new ATOM 0 HD11 ILE A 146 -1.628 -9.922 8.285 1.00 4.25 H new ATOM 0 HD12 ILE A 146 -1.153 -9.650 9.978 1.00 4.25 H new ATOM 0 HD13 ILE A 146 -1.358 -11.309 9.366 1.00 4.25 H new ATOM 2169 N GLU A 147 -4.208 -10.404 14.013 1.00 3.33 N ATOM 2170 CA GLU A 147 -4.332 -10.388 15.479 1.00 4.44 C ATOM 2171 C GLU A 147 -5.033 -9.091 15.955 1.00 5.05 C ATOM 2172 O GLU A 147 -6.238 -8.938 15.754 1.00 6.26 O ATOM 2173 CB GLU A 147 -2.958 -10.609 16.157 1.00 5.14 C ATOM 2174 CG GLU A 147 -2.168 -11.837 15.668 1.00 5.30 C ATOM 2175 CD GLU A 147 -1.439 -11.627 14.331 1.00 5.74 C ATOM 2176 OE1 GLU A 147 -1.438 -10.487 13.805 1.00 6.30 O ATOM 2177 OE2 GLU A 147 -0.896 -12.613 13.795 1.00 6.34 O ATOM 0 H GLU A 147 -3.341 -9.977 13.687 1.00 3.33 H new ATOM 0 HA GLU A 147 -4.965 -11.221 15.785 1.00 4.44 H new ATOM 0 HB2 GLU A 147 -2.348 -9.720 16.000 1.00 5.14 H new ATOM 0 HB3 GLU A 147 -3.114 -10.703 17.232 1.00 5.14 H new ATOM 0 HG2 GLU A 147 -1.437 -12.111 16.428 1.00 5.30 H new ATOM 0 HG3 GLU A 147 -2.853 -12.679 15.567 1.00 5.30 H new ATOM 2184 N GLY A 148 -4.304 -8.140 16.561 1.00 4.94 N ATOM 2185 CA GLY A 148 -4.835 -6.894 17.130 1.00 6.25 C ATOM 2186 C GLY A 148 -3.968 -6.377 18.280 1.00 6.56 C ATOM 2187 O GLY A 148 -3.419 -7.195 19.020 1.00 6.54 O ATOM 0 H GLY A 148 -3.293 -8.222 16.671 1.00 4.94 H new ATOM 0 HA2 GLY A 148 -4.894 -6.135 16.350 1.00 6.25 H new ATOM 0 HA3 GLY A 148 -5.851 -7.062 17.488 1.00 6.25 H new ATOM 2191 N ARG A 149 -3.860 -5.042 18.374 1.00 7.29 N ATOM 2192 CA ARG A 149 -3.040 -4.169 19.256 1.00 8.11 C ATOM 2193 C ARG A 149 -2.345 -3.110 18.394 1.00 8.83 C ATOM 2194 O ARG A 149 -3.027 -2.099 18.079 1.00 10.11 O ATOM 2195 CB ARG A 149 -2.073 -4.904 20.219 1.00 7.90 C ATOM 2196 CG ARG A 149 -2.795 -5.452 21.470 1.00 8.55 C ATOM 2197 CD ARG A 149 -2.101 -6.664 22.125 1.00 8.36 C ATOM 2198 NE ARG A 149 -0.786 -6.385 22.746 1.00 9.13 N ATOM 2199 CZ ARG A 149 -0.562 -5.964 23.980 1.00 10.25 C ATOM 2200 NH1 ARG A 149 -1.524 -5.659 24.798 1.00 10.89 N ATOM 2201 NH2 ARG A 149 0.654 -5.915 24.435 1.00 11.00 N ATOM 2202 OXT ARG A 149 -1.181 -3.329 18.007 1.00 8.53 O ATOM 0 H ARG A 149 -4.421 -4.462 17.749 1.00 7.29 H new ATOM 0 HA ARG A 149 -3.726 -3.687 19.953 1.00 8.11 H new ATOM 0 HB2 ARG A 149 -1.593 -5.727 19.690 1.00 7.90 H new ATOM 0 HB3 ARG A 149 -1.283 -4.220 20.529 1.00 7.90 H new ATOM 0 HG2 ARG A 149 -2.876 -4.653 22.207 1.00 8.55 H new ATOM 0 HG3 ARG A 149 -3.811 -5.736 21.194 1.00 8.55 H new ATOM 0 HD2 ARG A 149 -2.764 -7.072 22.887 1.00 8.36 H new ATOM 0 HD3 ARG A 149 -1.970 -7.438 21.369 1.00 8.36 H new ATOM 0 HE ARG A 149 0.035 -6.533 22.159 1.00 9.13 H new ATOM 0 HH11 ARG A 149 -2.495 -5.741 24.496 1.00 10.89 H new ATOM 0 HH12 ARG A 149 -1.308 -5.338 25.742 1.00 10.89 H new ATOM 0 HH21 ARG A 149 1.433 -6.201 23.841 1.00 11.00 H new ATOM 0 HH22 ARG A 149 0.830 -5.591 25.386 1.00 11.00 H new TER 2216 ARG A 149