USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -177:sc= -0.584 (180deg=0) USER MOD Set 2.2: A 80 TYR OH : rot -53:sc= -1.19 USER MOD Set 3.1: A 42 SER OG : rot -113:sc= 1.59! USER MOD Set 3.2: A 66 THR OG1 : rot -70:sc= 1.53! USER MOD Set 4.1: A 53 SER OG : rot 44:sc= -0.194 USER MOD Set 4.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 2 THR OG1 : rot 150:sc= 0.183 USER MOD Set 5.2: A 30 TYR OH : rot 30:sc= 0.117 USER MOD Set 6.1: A 25 ASN : amide:sc= -2.59 K(o=-2.3,f=-3.3!) USER MOD Set 6.2: A 44 THR OG1 : rot -20:sc= 0.304 USER MOD Single : A 1 ALA N :NH3+ 153:sc= -0.512 (180deg=-0.594) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 120:sc= -0.768 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.5) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 18 MET CE :methyl -145:sc= -1.33 (180deg=-2.61) USER MOD Single : A 19 ASN : amide:sc= -0.0838 K(o=-0.084,f=-2.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -143:sc= -2.55 (180deg=-6.86!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.065) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.7 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.0338 (180deg=-0.0959) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.11 K(o=-3.1,f=-4.2!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -59:sc= 0.587 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.0035) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.924 USER MOD Single : A 89 LYS NZ :NH3+ -115:sc= -1.28 (180deg=-3.51!) USER MOD Single : A 91 GLN : amide:sc= -0.816 K(o=-0.82,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.49) USER MOD Single : A 116 ASN : amide:sc= -1.31 X(o=-1.3,f=-0.91) USER MOD Single : A 118 MET CE :methyl 140:sc= -0.149 (180deg=-1.02) USER MOD Single : A 120 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.2!) USER MOD Single : A 126 SER OG : rot 14:sc= 0.72 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.69) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 119.867 -18.382 13.838 1.00 0.00 N ATOM 2 CA ALA A 1 118.678 -19.204 14.201 1.00 0.00 C ATOM 3 C ALA A 1 117.514 -18.284 14.549 1.00 0.00 C ATOM 4 O ALA A 1 117.710 -17.217 15.130 1.00 0.00 O ATOM 5 CB ALA A 1 119.020 -20.092 15.398 1.00 0.00 C ATOM 0 H1 ALA A 1 120.735 -18.917 14.043 1.00 0.00 H new ATOM 0 H2 ALA A 1 119.833 -18.152 12.824 1.00 0.00 H new ATOM 0 H3 ALA A 1 119.864 -17.503 14.393 1.00 0.00 H new ATOM 0 HA ALA A 1 118.395 -19.835 13.358 1.00 0.00 H new ATOM 0 HB1 ALA A 1 118.151 -20.694 15.665 1.00 0.00 H new ATOM 0 HB2 ALA A 1 119.850 -20.749 15.138 1.00 0.00 H new ATOM 0 HB3 ALA A 1 119.303 -19.467 16.245 1.00 0.00 H new ATOM 13 N THR A 2 116.304 -18.696 14.172 1.00 0.00 N ATOM 14 CA THR A 2 115.094 -17.926 14.457 1.00 0.00 C ATOM 15 C THR A 2 115.255 -16.455 14.063 1.00 0.00 C ATOM 16 O THR A 2 114.855 -15.551 14.798 1.00 0.00 O ATOM 17 CB THR A 2 114.737 -18.046 15.942 1.00 0.00 C ATOM 18 OG1 THR A 2 115.830 -17.595 16.731 1.00 0.00 O ATOM 19 CG2 THR A 2 114.431 -19.506 16.278 1.00 0.00 C ATOM 0 H THR A 2 116.135 -19.565 13.665 1.00 0.00 H new ATOM 0 HA THR A 2 114.283 -18.339 13.857 1.00 0.00 H new ATOM 0 HB THR A 2 113.860 -17.434 16.155 1.00 0.00 H new ATOM 0 HG1 THR A 2 115.494 -17.219 17.571 1.00 0.00 H new ATOM 0 HG21 THR A 2 114.177 -19.591 17.335 1.00 0.00 H new ATOM 0 HG22 THR A 2 113.591 -19.850 15.674 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.306 -20.120 16.065 1.00 0.00 H new ATOM 27 N SER A 3 115.846 -16.224 12.893 1.00 0.00 N ATOM 28 CA SER A 3 116.036 -14.863 12.405 1.00 0.00 C ATOM 29 C SER A 3 115.942 -14.825 10.885 1.00 0.00 C ATOM 30 O SER A 3 116.262 -15.806 10.212 1.00 0.00 O ATOM 31 CB SER A 3 117.400 -14.333 12.849 1.00 0.00 C ATOM 32 OG SER A 3 118.422 -15.047 12.163 1.00 0.00 O ATOM 0 H SER A 3 116.198 -16.953 12.272 1.00 0.00 H new ATOM 0 HA SER A 3 115.251 -14.233 12.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 117.477 -13.267 12.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 117.517 -14.451 13.926 1.00 0.00 H new ATOM 0 HG SER A 3 119.299 -14.711 12.442 1.00 0.00 H new ATOM 38 N THR A 4 115.503 -13.691 10.348 1.00 0.00 N ATOM 39 CA THR A 4 115.391 -13.531 8.899 1.00 0.00 C ATOM 40 C THR A 4 116.040 -12.225 8.455 1.00 0.00 C ATOM 41 O THR A 4 116.160 -11.282 9.236 1.00 0.00 O ATOM 42 CB THR A 4 113.920 -13.533 8.465 1.00 0.00 C ATOM 43 OG1 THR A 4 113.290 -12.357 8.948 1.00 0.00 O ATOM 44 CG2 THR A 4 113.188 -14.766 9.011 1.00 0.00 C ATOM 0 H THR A 4 115.220 -12.873 10.888 1.00 0.00 H new ATOM 0 HA THR A 4 115.905 -14.370 8.430 1.00 0.00 H new ATOM 0 HB THR A 4 113.878 -13.563 7.376 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.947 -11.836 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.147 -14.743 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.665 -15.670 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 4 113.231 -14.762 10.100 1.00 0.00 H new ATOM 52 N VAL A 5 116.454 -12.182 7.193 1.00 0.00 N ATOM 53 CA VAL A 5 117.027 -10.966 6.621 1.00 0.00 C ATOM 54 C VAL A 5 116.378 -10.676 5.271 1.00 0.00 C ATOM 55 O VAL A 5 116.455 -11.490 4.350 1.00 0.00 O ATOM 56 CB VAL A 5 118.544 -11.122 6.449 1.00 0.00 C ATOM 57 CG1 VAL A 5 119.145 -9.809 5.941 1.00 0.00 C ATOM 58 CG2 VAL A 5 119.186 -11.475 7.792 1.00 0.00 C ATOM 0 H VAL A 5 116.404 -12.971 6.548 1.00 0.00 H new ATOM 0 HA VAL A 5 116.836 -10.134 7.298 1.00 0.00 H new ATOM 0 HB VAL A 5 118.737 -11.918 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 5 120.222 -9.925 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.698 -9.552 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.944 -9.015 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 5 120.263 -11.584 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.985 -10.681 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.768 -12.412 8.160 1.00 0.00 H new ATOM 68 N THR A 6 115.743 -9.512 5.154 1.00 0.00 N ATOM 69 CA THR A 6 115.079 -9.132 3.910 1.00 0.00 C ATOM 70 C THR A 6 115.528 -7.746 3.457 1.00 0.00 C ATOM 71 O THR A 6 115.753 -6.856 4.278 1.00 0.00 O ATOM 72 CB THR A 6 113.562 -9.139 4.104 1.00 0.00 C ATOM 73 OG1 THR A 6 113.160 -10.397 4.628 1.00 0.00 O ATOM 74 CG2 THR A 6 112.868 -8.899 2.762 1.00 0.00 C ATOM 0 H THR A 6 115.674 -8.820 5.900 1.00 0.00 H new ATOM 0 HA THR A 6 115.352 -9.856 3.143 1.00 0.00 H new ATOM 0 HB THR A 6 113.283 -8.347 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 6 112.188 -10.403 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.787 -8.905 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.176 -7.933 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.146 -9.688 2.063 1.00 0.00 H new ATOM 82 N GLY A 7 115.667 -7.571 2.149 1.00 0.00 N ATOM 83 CA GLY A 7 115.958 -6.256 1.588 1.00 0.00 C ATOM 84 C GLY A 7 115.035 -6.002 0.406 1.00 0.00 C ATOM 85 O GLY A 7 114.760 -6.924 -0.365 1.00 0.00 O ATOM 0 H GLY A 7 115.584 -8.318 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.819 -5.485 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.999 -6.205 1.269 1.00 0.00 H new ATOM 89 N GLY A 8 114.551 -4.770 0.268 1.00 0.00 N ATOM 90 CA GLY A 8 113.594 -4.474 -0.792 1.00 0.00 C ATOM 91 C GLY A 8 113.732 -3.048 -1.302 1.00 0.00 C ATOM 92 O GLY A 8 114.382 -2.209 -0.677 1.00 0.00 O ATOM 0 H GLY A 8 114.799 -3.978 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.741 -5.170 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.581 -4.630 -0.420 1.00 0.00 H new ATOM 96 N TYR A 9 113.073 -2.789 -2.426 1.00 0.00 N ATOM 97 CA TYR A 9 113.093 -1.472 -3.048 1.00 0.00 C ATOM 98 C TYR A 9 111.668 -0.950 -3.146 1.00 0.00 C ATOM 99 O TYR A 9 110.746 -1.710 -3.445 1.00 0.00 O ATOM 100 CB TYR A 9 113.714 -1.556 -4.443 1.00 0.00 C ATOM 101 CG TYR A 9 115.132 -2.076 -4.439 1.00 0.00 C ATOM 102 CD1 TYR A 9 115.376 -3.449 -4.552 1.00 0.00 C ATOM 103 CD2 TYR A 9 116.203 -1.182 -4.320 1.00 0.00 C ATOM 104 CE1 TYR A 9 116.690 -3.930 -4.546 1.00 0.00 C ATOM 105 CE2 TYR A 9 117.518 -1.664 -4.315 1.00 0.00 C ATOM 106 CZ TYR A 9 117.763 -3.037 -4.427 1.00 0.00 C ATOM 107 OH TYR A 9 119.058 -3.511 -4.422 1.00 0.00 O ATOM 0 H TYR A 9 112.515 -3.480 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 9 113.693 -0.793 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 9 113.099 -2.204 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.699 -0.566 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 9 114.550 -4.138 -4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 9 116.015 -0.122 -4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 9 116.877 -4.990 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.344 -0.975 -4.225 1.00 0.00 H new ATOM 0 HH TYR A 9 119.681 -2.760 -4.333 1.00 0.00 H new ATOM 117 N ALA A 10 111.486 0.335 -2.864 1.00 0.00 N ATOM 118 CA ALA A 10 110.155 0.930 -2.863 1.00 0.00 C ATOM 119 C ALA A 10 110.125 2.207 -3.693 1.00 0.00 C ATOM 120 O ALA A 10 111.120 2.921 -3.781 1.00 0.00 O ATOM 121 CB ALA A 10 109.739 1.253 -1.427 1.00 0.00 C ATOM 0 H ALA A 10 112.240 0.982 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 10 109.461 0.214 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 10 108.744 1.698 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 10 109.726 0.337 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 10 110.450 1.955 -0.991 1.00 0.00 H new ATOM 127 N GLN A 11 108.970 2.486 -4.293 1.00 0.00 N ATOM 128 CA GLN A 11 108.784 3.716 -5.057 1.00 0.00 C ATOM 129 C GLN A 11 107.587 4.478 -4.505 1.00 0.00 C ATOM 130 O GLN A 11 106.570 3.870 -4.177 1.00 0.00 O ATOM 131 CB GLN A 11 108.551 3.387 -6.534 1.00 0.00 C ATOM 132 CG GLN A 11 109.801 2.721 -7.115 1.00 0.00 C ATOM 133 CD GLN A 11 109.563 2.306 -8.564 1.00 0.00 C ATOM 134 OE1 GLN A 11 108.419 2.203 -9.011 1.00 0.00 O ATOM 135 NE2 GLN A 11 110.587 2.061 -9.336 1.00 0.00 N ATOM 0 H GLN A 11 108.151 1.878 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 11 109.680 4.331 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.692 2.724 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.321 4.297 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 11 110.645 3.409 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 11 110.065 1.847 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 11 111.535 2.146 -8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 11 110.439 1.785 -10.307 1.00 0.00 H new ATOM 144 N SER A 12 107.713 5.799 -4.405 1.00 0.00 N ATOM 145 CA SER A 12 106.642 6.626 -3.854 1.00 0.00 C ATOM 146 C SER A 12 106.110 7.568 -4.923 1.00 0.00 C ATOM 147 O SER A 12 106.889 8.149 -5.683 1.00 0.00 O ATOM 148 CB SER A 12 107.167 7.440 -2.671 1.00 0.00 C ATOM 149 OG SER A 12 106.079 8.105 -2.044 1.00 0.00 O ATOM 0 H SER A 12 108.541 6.318 -4.697 1.00 0.00 H new ATOM 0 HA SER A 12 105.836 5.976 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 12 107.669 6.786 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 12 107.905 8.166 -3.012 1.00 0.00 H new ATOM 0 HG SER A 12 106.409 8.627 -1.283 1.00 0.00 H new ATOM 155 N ASP A 13 104.792 7.756 -4.928 1.00 0.00 N ATOM 156 CA ASP A 13 104.133 8.513 -5.985 1.00 0.00 C ATOM 157 C ASP A 13 104.290 10.014 -5.774 1.00 0.00 C ATOM 158 O ASP A 13 103.969 10.546 -4.712 1.00 0.00 O ATOM 159 CB ASP A 13 102.644 8.160 -6.026 1.00 0.00 C ATOM 160 CG ASP A 13 101.977 8.841 -7.215 1.00 0.00 C ATOM 161 OD1 ASP A 13 102.047 8.292 -8.303 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.405 9.900 -7.022 1.00 0.00 O ATOM 0 H ASP A 13 104.162 7.394 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 13 104.605 8.247 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.520 7.080 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.162 8.474 -5.100 1.00 0.00 H new ATOM 167 N ALA A 14 104.792 10.683 -6.806 1.00 0.00 N ATOM 168 CA ALA A 14 105.016 12.122 -6.752 1.00 0.00 C ATOM 169 C ALA A 14 103.907 12.870 -7.488 1.00 0.00 C ATOM 170 O ALA A 14 103.407 12.412 -8.514 1.00 0.00 O ATOM 171 CB ALA A 14 106.374 12.463 -7.375 1.00 0.00 C ATOM 0 H ALA A 14 105.052 10.250 -7.692 1.00 0.00 H new ATOM 0 HA ALA A 14 105.009 12.432 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.534 13.540 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.165 11.956 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.390 12.136 -8.415 1.00 0.00 H new ATOM 177 N GLN A 15 103.533 14.022 -6.948 1.00 0.00 N ATOM 178 CA GLN A 15 102.517 14.862 -7.569 1.00 0.00 C ATOM 179 C GLN A 15 103.177 15.835 -8.545 1.00 0.00 C ATOM 180 O GLN A 15 104.346 16.186 -8.386 1.00 0.00 O ATOM 181 CB GLN A 15 101.705 15.606 -6.501 1.00 0.00 C ATOM 182 CG GLN A 15 102.594 16.587 -5.731 1.00 0.00 C ATOM 183 CD GLN A 15 101.849 17.114 -4.510 1.00 0.00 C ATOM 184 OE1 GLN A 15 101.170 16.354 -3.819 1.00 0.00 O ATOM 185 NE2 GLN A 15 101.930 18.380 -4.204 1.00 0.00 N ATOM 0 H GLN A 15 103.918 14.397 -6.081 1.00 0.00 H new ATOM 0 HA GLN A 15 101.824 14.232 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 15 100.883 16.145 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.262 14.890 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 15 103.514 16.091 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 15 102.881 17.416 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.493 19.008 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 15 101.430 18.741 -3.391 1.00 0.00 H new ATOM 194 N GLY A 16 102.422 16.265 -9.551 1.00 0.00 N ATOM 195 CA GLY A 16 102.992 16.976 -10.693 1.00 0.00 C ATOM 196 C GLY A 16 103.907 18.121 -10.270 1.00 0.00 C ATOM 197 O GLY A 16 103.770 18.673 -9.179 1.00 0.00 O ATOM 0 H GLY A 16 101.412 16.134 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.554 16.275 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.185 17.369 -11.312 1.00 0.00 H new ATOM 201 N GLN A 17 104.867 18.414 -11.147 1.00 0.00 N ATOM 202 CA GLN A 17 105.915 19.410 -10.907 1.00 0.00 C ATOM 203 C GLN A 17 106.903 18.977 -9.816 1.00 0.00 C ATOM 204 O GLN A 17 107.579 19.820 -9.227 1.00 0.00 O ATOM 205 CB GLN A 17 105.314 20.775 -10.550 1.00 0.00 C ATOM 206 CG GLN A 17 104.452 21.271 -11.715 1.00 0.00 C ATOM 207 CD GLN A 17 103.773 22.591 -11.355 1.00 0.00 C ATOM 208 OE1 GLN A 17 103.669 22.948 -10.180 1.00 0.00 O ATOM 209 NE2 GLN A 17 103.296 23.344 -12.307 1.00 0.00 N ATOM 0 H GLN A 17 104.941 17.960 -12.058 1.00 0.00 H new ATOM 0 HA GLN A 17 106.470 19.496 -11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.711 20.694 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.109 21.491 -10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.071 21.404 -12.602 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.698 20.523 -11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.381 23.051 -13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 17 102.838 24.226 -12.078 1.00 0.00 H new ATOM 218 N MET A 18 107.004 17.669 -9.570 1.00 0.00 N ATOM 219 CA MET A 18 108.028 17.128 -8.680 1.00 0.00 C ATOM 220 C MET A 18 108.413 15.718 -9.120 1.00 0.00 C ATOM 221 O MET A 18 107.724 15.106 -9.935 1.00 0.00 O ATOM 222 CB MET A 18 107.548 17.107 -7.225 1.00 0.00 C ATOM 223 CG MET A 18 107.391 18.543 -6.716 1.00 0.00 C ATOM 224 SD MET A 18 107.110 18.536 -4.929 1.00 0.00 S ATOM 225 CE MET A 18 105.596 17.549 -4.939 1.00 0.00 C ATOM 0 H MET A 18 106.387 16.966 -9.976 1.00 0.00 H new ATOM 0 HA MET A 18 108.901 17.778 -8.740 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.597 16.579 -7.152 1.00 0.00 H new ATOM 0 HB3 MET A 18 108.262 16.566 -6.604 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.285 19.121 -6.950 1.00 0.00 H new ATOM 0 HG3 MET A 18 106.556 19.028 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 18 104.929 17.898 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 18 105.101 17.651 -5.905 1.00 0.00 H new ATOM 0 HE3 MET A 18 105.843 16.501 -4.767 1.00 0.00 H new ATOM 235 N ASN A 19 109.518 15.209 -8.582 1.00 0.00 N ATOM 236 CA ASN A 19 110.023 13.899 -8.985 1.00 0.00 C ATOM 237 C ASN A 19 109.656 12.823 -7.966 1.00 0.00 C ATOM 238 O ASN A 19 109.551 13.092 -6.770 1.00 0.00 O ATOM 239 CB ASN A 19 111.546 13.957 -9.134 1.00 0.00 C ATOM 240 CG ASN A 19 112.048 12.723 -9.877 1.00 0.00 C ATOM 241 OD1 ASN A 19 111.303 12.103 -10.637 1.00 0.00 O ATOM 242 ND2 ASN A 19 113.280 12.326 -9.705 1.00 0.00 N ATOM 0 H ASN A 19 110.078 15.679 -7.871 1.00 0.00 H new ATOM 0 HA ASN A 19 109.563 13.640 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.832 14.859 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 19 112.013 14.014 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 19 113.624 11.503 -10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 19 113.898 12.839 -9.076 1.00 0.00 H new ATOM 249 N LYS A 20 109.464 11.600 -8.455 1.00 0.00 N ATOM 250 CA LYS A 20 109.156 10.471 -7.584 1.00 0.00 C ATOM 251 C LYS A 20 110.320 10.207 -6.635 1.00 0.00 C ATOM 252 O LYS A 20 111.403 10.767 -6.802 1.00 0.00 O ATOM 253 CB LYS A 20 108.885 9.221 -8.425 1.00 0.00 C ATOM 254 CG LYS A 20 107.640 9.445 -9.285 1.00 0.00 C ATOM 255 CD LYS A 20 107.307 8.160 -10.048 1.00 0.00 C ATOM 256 CE LYS A 20 106.139 8.420 -11.002 1.00 0.00 C ATOM 257 NZ LYS A 20 104.859 8.387 -10.242 1.00 0.00 N ATOM 0 H LYS A 20 109.516 11.367 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 20 108.268 10.711 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 109.744 9.003 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.741 8.357 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 20 106.798 9.735 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 107.811 10.262 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 20 108.179 7.821 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 20 107.049 7.366 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 20 106.261 9.388 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 20 106.125 7.668 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 104.065 8.564 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.742 7.453 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.874 9.121 -9.505 1.00 0.00 H new ATOM 271 N MET A 21 110.102 9.348 -5.640 1.00 0.00 N ATOM 272 CA MET A 21 111.139 9.078 -4.642 1.00 0.00 C ATOM 273 C MET A 21 111.416 7.583 -4.561 1.00 0.00 C ATOM 274 O MET A 21 110.550 6.772 -4.882 1.00 0.00 O ATOM 275 CB MET A 21 110.681 9.581 -3.269 1.00 0.00 C ATOM 276 CG MET A 21 110.361 11.079 -3.327 1.00 0.00 C ATOM 277 SD MET A 21 111.814 12.016 -3.869 1.00 0.00 S ATOM 278 CE MET A 21 112.891 11.607 -2.474 1.00 0.00 C ATOM 0 H MET A 21 109.232 8.834 -5.503 1.00 0.00 H new ATOM 0 HA MET A 21 112.051 9.597 -4.938 1.00 0.00 H new ATOM 0 HB2 MET A 21 109.799 9.027 -2.947 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.460 9.398 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 21 109.532 11.254 -4.012 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.042 11.427 -2.345 1.00 0.00 H new ATOM 0 HE1 MET A 21 113.501 12.474 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 21 112.282 11.326 -1.615 1.00 0.00 H new ATOM 0 HE3 MET A 21 113.540 10.775 -2.747 1.00 0.00 H new ATOM 288 N GLY A 22 112.620 7.215 -4.119 1.00 0.00 N ATOM 289 CA GLY A 22 112.978 5.807 -3.989 1.00 0.00 C ATOM 290 C GLY A 22 113.405 5.516 -2.559 1.00 0.00 C ATOM 291 O GLY A 22 113.955 6.386 -1.888 1.00 0.00 O ATOM 0 H GLY A 22 113.355 7.868 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.129 5.180 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 22 113.787 5.563 -4.677 1.00 0.00 H new ATOM 295 N GLY A 23 113.147 4.301 -2.091 1.00 0.00 N ATOM 296 CA GLY A 23 113.482 3.940 -0.718 1.00 0.00 C ATOM 297 C GLY A 23 114.105 2.552 -0.636 1.00 0.00 C ATOM 298 O GLY A 23 113.719 1.644 -1.370 1.00 0.00 O ATOM 0 H GLY A 23 112.712 3.556 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.175 4.675 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.582 3.972 -0.104 1.00 0.00 H new ATOM 302 N PHE A 24 115.075 2.410 0.260 1.00 0.00 N ATOM 303 CA PHE A 24 115.698 1.115 0.521 1.00 0.00 C ATOM 304 C PHE A 24 115.319 0.660 1.925 1.00 0.00 C ATOM 305 O PHE A 24 115.419 1.444 2.869 1.00 0.00 O ATOM 306 CB PHE A 24 117.217 1.237 0.402 1.00 0.00 C ATOM 307 CG PHE A 24 117.942 -0.084 0.521 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.360 -0.542 1.776 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.198 -0.847 -0.625 1.00 0.00 C ATOM 310 CE1 PHE A 24 119.034 -1.764 1.886 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.871 -2.070 -0.514 1.00 0.00 C ATOM 312 CZ PHE A 24 119.290 -2.528 0.741 1.00 0.00 C ATOM 0 H PHE A 24 115.449 3.177 0.820 1.00 0.00 H new ATOM 0 HA PHE A 24 115.349 0.383 -0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.462 1.691 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.581 1.912 1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.163 0.047 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 24 117.877 -0.493 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 24 119.357 -2.117 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.067 -2.660 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.811 -3.470 0.826 1.00 0.00 H new ATOM 322 N ASN A 25 114.868 -0.589 2.066 1.00 0.00 N ATOM 323 CA ASN A 25 114.380 -1.066 3.359 1.00 0.00 C ATOM 324 C ASN A 25 115.020 -2.395 3.745 1.00 0.00 C ATOM 325 O ASN A 25 115.146 -3.295 2.916 1.00 0.00 O ATOM 326 CB ASN A 25 112.860 -1.238 3.304 1.00 0.00 C ATOM 327 CG ASN A 25 112.294 -1.384 4.714 1.00 0.00 C ATOM 328 OD1 ASN A 25 112.907 -0.936 5.684 1.00 0.00 O ATOM 329 ND2 ASN A 25 111.151 -1.989 4.886 1.00 0.00 N ATOM 0 H ASN A 25 114.831 -1.277 1.314 1.00 0.00 H new ATOM 0 HA ASN A 25 114.650 -0.325 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.407 -0.378 2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.607 -2.117 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 25 110.764 -2.091 5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 25 110.644 -2.360 4.082 1.00 0.00 H new ATOM 336 N LEU A 26 115.431 -2.495 5.008 1.00 0.00 N ATOM 337 CA LEU A 26 115.955 -3.746 5.553 1.00 0.00 C ATOM 338 C LEU A 26 115.090 -4.183 6.731 1.00 0.00 C ATOM 339 O LEU A 26 114.676 -3.345 7.528 1.00 0.00 O ATOM 340 CB LEU A 26 117.402 -3.553 6.021 1.00 0.00 C ATOM 341 CG LEU A 26 118.264 -3.074 4.851 1.00 0.00 C ATOM 342 CD1 LEU A 26 119.679 -2.775 5.354 1.00 0.00 C ATOM 343 CD2 LEU A 26 118.333 -4.169 3.782 1.00 0.00 C ATOM 0 H LEU A 26 115.411 -1.723 5.674 1.00 0.00 H new ATOM 0 HA LEU A 26 115.935 -4.511 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 117.438 -2.826 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.795 -4.490 6.415 1.00 0.00 H new ATOM 0 HG LEU A 26 117.825 -2.173 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.296 -2.433 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.637 -1.999 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.113 -3.680 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 26 118.947 -3.826 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.773 -5.069 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 26 117.328 -4.392 3.424 1.00 0.00 H new ATOM 355 N LYS A 27 114.825 -5.485 6.845 1.00 0.00 N ATOM 356 CA LYS A 27 113.919 -5.985 7.877 1.00 0.00 C ATOM 357 C LYS A 27 114.548 -7.134 8.660 1.00 0.00 C ATOM 358 O LYS A 27 115.272 -7.958 8.101 1.00 0.00 O ATOM 359 CB LYS A 27 112.622 -6.478 7.235 1.00 0.00 C ATOM 360 CG LYS A 27 111.919 -5.318 6.530 1.00 0.00 C ATOM 361 CD LYS A 27 110.571 -5.793 5.985 1.00 0.00 C ATOM 362 CE LYS A 27 109.922 -4.669 5.174 1.00 0.00 C ATOM 363 NZ LYS A 27 108.672 -5.174 4.541 1.00 0.00 N ATOM 0 H LYS A 27 115.221 -6.206 6.241 1.00 0.00 H new ATOM 0 HA LYS A 27 113.713 -5.164 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 27 112.838 -7.272 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 27 111.968 -6.903 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.771 -4.492 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.540 -4.943 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.710 -6.674 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 27 109.918 -6.087 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.698 -3.821 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 110.612 -4.313 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.257 -4.427 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 108.892 -6.002 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 107.994 -5.446 5.281 1.00 0.00 H new ATOM 377 N TYR A 28 114.263 -7.180 9.959 1.00 0.00 N ATOM 378 CA TYR A 28 114.684 -8.294 10.801 1.00 0.00 C ATOM 379 C TYR A 28 113.468 -8.879 11.510 1.00 0.00 C ATOM 380 O TYR A 28 112.662 -8.134 12.066 1.00 0.00 O ATOM 381 CB TYR A 28 115.703 -7.816 11.836 1.00 0.00 C ATOM 382 CG TYR A 28 116.954 -7.230 11.225 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.021 -5.860 10.940 1.00 0.00 C ATOM 384 CD2 TYR A 28 118.050 -8.056 10.944 1.00 0.00 C ATOM 385 CE1 TYR A 28 118.180 -5.317 10.376 1.00 0.00 C ATOM 386 CE2 TYR A 28 119.209 -7.513 10.379 1.00 0.00 C ATOM 387 CZ TYR A 28 119.274 -6.144 10.094 1.00 0.00 C ATOM 388 OH TYR A 28 120.419 -5.608 9.538 1.00 0.00 O ATOM 0 H TYR A 28 113.740 -6.456 10.452 1.00 0.00 H new ATOM 0 HA TYR A 28 115.148 -9.059 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.235 -7.067 12.475 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.979 -8.654 12.476 1.00 0.00 H new ATOM 0 HD1 TYR A 28 116.177 -5.222 11.156 1.00 0.00 H new ATOM 0 HD2 TYR A 28 118.000 -9.112 11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 28 118.231 -4.260 10.158 1.00 0.00 H new ATOM 0 HE2 TYR A 28 120.054 -8.150 10.163 1.00 0.00 H new ATOM 0 HH TYR A 28 121.082 -6.318 9.407 1.00 0.00 H new ATOM 398 N ARG A 29 113.330 -10.202 11.479 1.00 0.00 N ATOM 399 CA ARG A 29 112.173 -10.854 12.086 1.00 0.00 C ATOM 400 C ARG A 29 112.584 -12.136 12.804 1.00 0.00 C ATOM 401 O ARG A 29 113.475 -12.853 12.350 1.00 0.00 O ATOM 402 CB ARG A 29 111.132 -11.178 11.013 1.00 0.00 C ATOM 403 CG ARG A 29 109.858 -11.703 11.679 1.00 0.00 C ATOM 404 CD ARG A 29 108.777 -11.928 10.619 1.00 0.00 C ATOM 405 NE ARG A 29 109.130 -13.062 9.759 1.00 0.00 N ATOM 406 CZ ARG A 29 109.832 -12.939 8.621 1.00 0.00 C ATOM 407 NH1 ARG A 29 110.292 -11.786 8.202 1.00 0.00 N ATOM 408 NH2 ARG A 29 110.074 -14.009 7.913 1.00 0.00 N ATOM 0 H ARG A 29 113.998 -10.839 11.044 1.00 0.00 H new ATOM 0 HA ARG A 29 111.742 -10.170 12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 29 110.908 -10.286 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 29 111.527 -11.922 10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.068 -12.636 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.506 -10.991 12.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 107.818 -12.115 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 29 108.659 -11.029 10.015 1.00 0.00 H new ATOM 0 HE ARG A 29 108.826 -13.994 10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 110.121 -10.940 8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 29 110.821 -11.734 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 29 109.732 -14.917 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 29 110.605 -13.937 7.045 1.00 0.00 H new ATOM 422 N TYR A 30 111.928 -12.424 13.928 1.00 0.00 N ATOM 423 CA TYR A 30 112.226 -13.634 14.686 1.00 0.00 C ATOM 424 C TYR A 30 111.204 -14.710 14.337 1.00 0.00 C ATOM 425 O TYR A 30 110.044 -14.393 14.078 1.00 0.00 O ATOM 426 CB TYR A 30 112.206 -13.338 16.189 1.00 0.00 C ATOM 427 CG TYR A 30 112.852 -14.418 17.026 1.00 0.00 C ATOM 428 CD1 TYR A 30 112.091 -15.489 17.515 1.00 0.00 C ATOM 429 CD2 TYR A 30 114.221 -14.346 17.316 1.00 0.00 C ATOM 430 CE1 TYR A 30 112.698 -16.482 18.293 1.00 0.00 C ATOM 431 CE2 TYR A 30 114.826 -15.341 18.092 1.00 0.00 C ATOM 432 CZ TYR A 30 114.066 -16.408 18.581 1.00 0.00 C ATOM 433 OH TYR A 30 114.662 -17.389 19.348 1.00 0.00 O ATOM 0 H TYR A 30 111.194 -11.841 14.329 1.00 0.00 H new ATOM 0 HA TYR A 30 113.223 -13.990 14.425 1.00 0.00 H new ATOM 0 HB2 TYR A 30 112.718 -12.393 16.372 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.173 -13.209 16.512 1.00 0.00 H new ATOM 0 HD1 TYR A 30 111.036 -15.548 17.291 1.00 0.00 H new ATOM 0 HD2 TYR A 30 114.810 -13.522 16.940 1.00 0.00 H new ATOM 0 HE1 TYR A 30 112.111 -17.306 18.671 1.00 0.00 H new ATOM 0 HE2 TYR A 30 115.882 -15.285 18.314 1.00 0.00 H new ATOM 0 HH TYR A 30 114.193 -18.239 19.214 1.00 0.00 H new ATOM 443 N GLU A 31 111.638 -15.970 14.273 1.00 0.00 N ATOM 444 CA GLU A 31 110.745 -17.042 13.842 1.00 0.00 C ATOM 445 C GLU A 31 110.057 -17.698 15.036 1.00 0.00 C ATOM 446 O GLU A 31 110.683 -17.980 16.058 1.00 0.00 O ATOM 447 CB GLU A 31 111.535 -18.101 13.069 1.00 0.00 C ATOM 448 CG GLU A 31 110.565 -19.117 12.453 1.00 0.00 C ATOM 449 CD GLU A 31 111.303 -20.256 11.740 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.524 -20.277 11.749 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.621 -21.104 11.187 1.00 0.00 O ATOM 0 H GLU A 31 112.584 -16.268 14.510 1.00 0.00 H new ATOM 0 HA GLU A 31 109.982 -16.605 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 31 112.128 -17.628 12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.233 -18.607 13.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 109.929 -19.531 13.235 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.910 -18.610 11.744 1.00 0.00 H new ATOM 458 N GLU A 32 108.755 -17.934 14.886 1.00 0.00 N ATOM 459 CA GLU A 32 107.933 -18.474 15.965 1.00 0.00 C ATOM 460 C GLU A 32 107.049 -19.613 15.477 1.00 0.00 C ATOM 461 O GLU A 32 106.694 -19.693 14.302 1.00 0.00 O ATOM 462 CB GLU A 32 107.038 -17.397 16.579 1.00 0.00 C ATOM 463 CG GLU A 32 107.904 -16.302 17.204 1.00 0.00 C ATOM 464 CD GLU A 32 108.429 -15.333 16.142 1.00 0.00 C ATOM 465 OE1 GLU A 32 107.930 -15.343 15.026 1.00 0.00 O ATOM 466 OE2 GLU A 32 109.315 -14.567 16.475 1.00 0.00 O ATOM 0 H GLU A 32 108.244 -17.758 14.021 1.00 0.00 H new ATOM 0 HA GLU A 32 108.625 -18.848 16.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.390 -16.969 15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.389 -17.838 17.336 1.00 0.00 H new ATOM 0 HG2 GLU A 32 107.322 -15.753 17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.743 -16.756 17.732 1.00 0.00 H new ATOM 473 N ASP A 33 106.706 -20.489 16.409 1.00 0.00 N ATOM 474 CA ASP A 33 105.785 -21.584 16.140 1.00 0.00 C ATOM 475 C ASP A 33 104.366 -21.037 16.041 1.00 0.00 C ATOM 476 O ASP A 33 104.162 -19.824 15.992 1.00 0.00 O ATOM 477 CB ASP A 33 105.863 -22.629 17.258 1.00 0.00 C ATOM 478 CG ASP A 33 107.256 -23.252 17.321 1.00 0.00 C ATOM 479 OD1 ASP A 33 107.911 -23.320 16.292 1.00 0.00 O ATOM 480 OD2 ASP A 33 107.649 -23.658 18.401 1.00 0.00 O ATOM 0 H ASP A 33 107.055 -20.462 17.367 1.00 0.00 H new ATOM 0 HA ASP A 33 106.059 -22.060 15.198 1.00 0.00 H new ATOM 0 HB2 ASP A 33 105.624 -22.164 18.214 1.00 0.00 H new ATOM 0 HB3 ASP A 33 105.119 -23.407 17.087 1.00 0.00 H new ATOM 485 N ASN A 34 103.403 -21.923 15.832 1.00 0.00 N ATOM 486 CA ASN A 34 102.011 -21.508 15.694 1.00 0.00 C ATOM 487 C ASN A 34 101.547 -20.598 16.838 1.00 0.00 C ATOM 488 O ASN A 34 100.663 -19.766 16.634 1.00 0.00 O ATOM 489 CB ASN A 34 101.111 -22.746 15.644 1.00 0.00 C ATOM 490 CG ASN A 34 101.481 -23.611 14.445 1.00 0.00 C ATOM 491 OD1 ASN A 34 101.616 -24.828 14.577 1.00 0.00 O ATOM 492 ND2 ASN A 34 101.652 -23.055 13.277 1.00 0.00 N ATOM 0 H ASN A 34 103.556 -22.928 15.754 1.00 0.00 H new ATOM 0 HA ASN A 34 101.938 -20.936 14.769 1.00 0.00 H new ATOM 0 HB2 ASN A 34 101.217 -23.321 16.564 1.00 0.00 H new ATOM 0 HB3 ASN A 34 100.066 -22.444 15.576 1.00 0.00 H new ATOM 0 HD21 ASN A 34 101.898 -23.629 12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 34 101.539 -22.047 13.171 1.00 0.00 H new ATOM 499 N SER A 35 102.133 -20.734 18.033 1.00 0.00 N ATOM 500 CA SER A 35 101.532 -20.120 19.222 1.00 0.00 C ATOM 501 C SER A 35 102.103 -18.756 19.645 1.00 0.00 C ATOM 502 O SER A 35 101.374 -17.995 20.286 1.00 0.00 O ATOM 503 CB SER A 35 101.673 -21.086 20.399 1.00 0.00 C ATOM 504 OG SER A 35 101.067 -20.512 21.550 1.00 0.00 O ATOM 0 H SER A 35 102.998 -21.248 18.201 1.00 0.00 H new ATOM 0 HA SER A 35 100.496 -19.926 18.944 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.200 -22.039 20.161 1.00 0.00 H new ATOM 0 HB3 SER A 35 102.726 -21.292 20.592 1.00 0.00 H new ATOM 0 HG SER A 35 101.153 -21.128 22.307 1.00 0.00 H new ATOM 510 N PRO A 36 103.334 -18.403 19.340 1.00 0.00 N ATOM 511 CA PRO A 36 103.842 -17.021 19.591 1.00 0.00 C ATOM 512 C PRO A 36 103.904 -16.166 18.320 1.00 0.00 C ATOM 513 O PRO A 36 104.136 -16.673 17.223 1.00 0.00 O ATOM 514 CB PRO A 36 105.244 -17.262 20.178 1.00 0.00 C ATOM 515 CG PRO A 36 105.521 -18.728 20.028 1.00 0.00 C ATOM 516 CD PRO A 36 104.481 -19.266 19.048 1.00 0.00 C ATOM 0 HA PRO A 36 103.185 -16.457 20.253 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.992 -16.670 19.651 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.282 -16.965 21.226 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.531 -18.896 19.653 1.00 0.00 H new ATOM 0 HG3 PRO A 36 105.449 -19.237 20.989 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.808 -19.177 18.012 1.00 0.00 H new ATOM 0 HD3 PRO A 36 104.258 -20.319 19.223 1.00 0.00 H new ATOM 524 N LEU A 37 103.692 -14.862 18.496 1.00 0.00 N ATOM 525 CA LEU A 37 103.665 -13.920 17.378 1.00 0.00 C ATOM 526 C LEU A 37 105.076 -13.577 16.904 1.00 0.00 C ATOM 527 O LEU A 37 106.057 -13.842 17.601 1.00 0.00 O ATOM 528 CB LEU A 37 102.947 -12.633 17.795 1.00 0.00 C ATOM 529 CG LEU A 37 101.533 -12.956 18.285 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.866 -11.676 18.794 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.707 -13.526 17.129 1.00 0.00 C ATOM 0 H LEU A 37 103.536 -14.432 19.408 1.00 0.00 H new ATOM 0 HA LEU A 37 103.130 -14.396 16.556 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.509 -12.133 18.584 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.900 -11.944 16.952 1.00 0.00 H new ATOM 0 HG LEU A 37 101.589 -13.688 19.091 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.859 -11.905 19.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.450 -11.263 19.616 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.813 -10.947 17.985 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.701 -13.755 17.479 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.653 -12.793 16.324 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.179 -14.436 16.759 1.00 0.00 H new ATOM 543 N GLY A 38 105.172 -12.985 15.715 1.00 0.00 N ATOM 544 CA GLY A 38 106.467 -12.625 15.145 1.00 0.00 C ATOM 545 C GLY A 38 106.737 -11.135 15.299 1.00 0.00 C ATOM 546 O GLY A 38 105.833 -10.323 15.127 1.00 0.00 O ATOM 0 H GLY A 38 104.371 -12.746 15.130 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.256 -13.194 15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.491 -12.895 14.089 1.00 0.00 H new ATOM 550 N VAL A 39 107.981 -10.771 15.614 1.00 0.00 N ATOM 551 CA VAL A 39 108.317 -9.362 15.822 1.00 0.00 C ATOM 552 C VAL A 39 109.216 -8.886 14.689 1.00 0.00 C ATOM 553 O VAL A 39 110.263 -9.477 14.432 1.00 0.00 O ATOM 554 CB VAL A 39 109.012 -9.187 17.182 1.00 0.00 C ATOM 555 CG1 VAL A 39 110.322 -9.981 17.221 1.00 0.00 C ATOM 556 CG2 VAL A 39 109.310 -7.704 17.419 1.00 0.00 C ATOM 0 H VAL A 39 108.760 -11.419 15.729 1.00 0.00 H new ATOM 0 HA VAL A 39 107.407 -8.762 15.824 1.00 0.00 H new ATOM 0 HB VAL A 39 108.350 -9.560 17.963 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.801 -9.846 18.191 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.111 -11.039 17.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 110.987 -9.624 16.435 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.803 -7.582 18.384 1.00 0.00 H new ATOM 0 HG22 VAL A 39 109.962 -7.333 16.629 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.377 -7.140 17.414 1.00 0.00 H new ATOM 566 N ILE A 40 108.809 -7.810 14.015 1.00 0.00 N ATOM 567 CA ILE A 40 109.556 -7.321 12.860 1.00 0.00 C ATOM 568 C ILE A 40 109.884 -5.844 13.037 1.00 0.00 C ATOM 569 O ILE A 40 109.051 -5.073 13.509 1.00 0.00 O ATOM 570 CB ILE A 40 108.734 -7.546 11.584 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.526 -7.081 10.358 1.00 0.00 C ATOM 572 CG2 ILE A 40 107.415 -6.772 11.661 1.00 0.00 C ATOM 573 CD1 ILE A 40 108.868 -7.620 9.088 1.00 0.00 C ATOM 0 H ILE A 40 107.977 -7.267 14.246 1.00 0.00 H new ATOM 0 HA ILE A 40 110.493 -7.871 12.775 1.00 0.00 H new ATOM 0 HB ILE A 40 108.521 -8.611 11.493 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.562 -5.992 10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 40 110.556 -7.432 10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 40 106.841 -6.940 10.750 1.00 0.00 H new ATOM 0 HG22 ILE A 40 106.840 -7.117 12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 40 107.624 -5.707 11.768 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.433 -7.288 8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.855 -8.709 9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 40 107.846 -7.247 9.021 1.00 0.00 H new ATOM 585 N GLY A 41 111.106 -5.476 12.672 1.00 0.00 N ATOM 586 CA GLY A 41 111.524 -4.080 12.698 1.00 0.00 C ATOM 587 C GLY A 41 112.213 -3.736 11.386 1.00 0.00 C ATOM 588 O GLY A 41 112.930 -4.567 10.832 1.00 0.00 O ATOM 0 H GLY A 41 111.825 -6.126 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.660 -3.433 12.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.202 -3.907 13.534 1.00 0.00 H new ATOM 592 N SER A 42 111.993 -2.523 10.886 1.00 0.00 N ATOM 593 CA SER A 42 112.540 -2.144 9.586 1.00 0.00 C ATOM 594 C SER A 42 113.081 -0.721 9.597 1.00 0.00 C ATOM 595 O SER A 42 112.568 0.143 10.306 1.00 0.00 O ATOM 596 CB SER A 42 111.454 -2.255 8.516 1.00 0.00 C ATOM 597 OG SER A 42 110.551 -1.165 8.650 1.00 0.00 O ATOM 0 H SER A 42 111.449 -1.796 11.352 1.00 0.00 H new ATOM 0 HA SER A 42 113.363 -2.823 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.904 -2.250 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.920 -3.200 8.620 1.00 0.00 H new ATOM 0 HG SER A 42 109.674 -1.500 8.931 1.00 0.00 H new ATOM 603 N PHE A 43 114.112 -0.497 8.786 1.00 0.00 N ATOM 604 CA PHE A 43 114.681 0.835 8.616 1.00 0.00 C ATOM 605 C PHE A 43 114.603 1.230 7.146 1.00 0.00 C ATOM 606 O PHE A 43 114.937 0.426 6.276 1.00 0.00 O ATOM 607 CB PHE A 43 116.141 0.844 9.073 1.00 0.00 C ATOM 608 CG PHE A 43 116.317 0.490 10.530 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.225 1.485 11.511 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.578 -0.837 10.901 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.390 1.155 12.860 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.742 -1.165 12.253 1.00 0.00 C ATOM 613 CZ PHE A 43 116.649 -0.170 13.232 1.00 0.00 C ATOM 0 H PHE A 43 114.570 -1.223 8.236 1.00 0.00 H new ATOM 0 HA PHE A 43 114.118 1.547 9.219 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.708 0.140 8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.564 1.833 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.027 2.508 11.226 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.652 -1.605 10.145 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.318 1.923 13.616 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.940 -2.187 12.540 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.777 -0.424 14.274 1.00 0.00 H new ATOM 623 N THR A 44 114.153 2.452 6.872 1.00 0.00 N ATOM 624 CA THR A 44 114.005 2.914 5.493 1.00 0.00 C ATOM 625 C THR A 44 114.687 4.262 5.289 1.00 0.00 C ATOM 626 O THR A 44 114.574 5.155 6.127 1.00 0.00 O ATOM 627 CB THR A 44 112.518 3.038 5.150 1.00 0.00 C ATOM 628 OG1 THR A 44 111.864 1.812 5.444 1.00 0.00 O ATOM 629 CG2 THR A 44 112.357 3.359 3.663 1.00 0.00 C ATOM 0 H THR A 44 113.886 3.136 7.580 1.00 0.00 H new ATOM 0 HA THR A 44 114.479 2.185 4.836 1.00 0.00 H new ATOM 0 HB THR A 44 112.075 3.840 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.526 1.091 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.298 3.447 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.859 4.300 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.799 2.560 3.068 1.00 0.00 H new ATOM 637 N TYR A 45 115.390 4.391 4.166 1.00 0.00 N ATOM 638 CA TYR A 45 116.038 5.651 3.801 1.00 0.00 C ATOM 639 C TYR A 45 115.499 6.142 2.461 1.00 0.00 C ATOM 640 O TYR A 45 115.353 5.348 1.534 1.00 0.00 O ATOM 641 CB TYR A 45 117.550 5.443 3.681 1.00 0.00 C ATOM 642 CG TYR A 45 118.183 4.835 4.911 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.263 3.442 5.036 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.700 5.659 5.915 1.00 0.00 C ATOM 645 CE1 TYR A 45 118.861 2.875 6.169 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.296 5.093 7.048 1.00 0.00 C ATOM 647 CZ TYR A 45 119.377 3.701 7.176 1.00 0.00 C ATOM 648 OH TYR A 45 119.964 3.143 8.291 1.00 0.00 O ATOM 0 H TYR A 45 115.526 3.638 3.492 1.00 0.00 H new ATOM 0 HA TYR A 45 115.829 6.390 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.752 4.800 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.024 6.403 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 45 117.864 2.806 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.640 6.733 5.816 1.00 0.00 H new ATOM 0 HE1 TYR A 45 118.924 1.801 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.694 5.730 7.824 1.00 0.00 H new ATOM 0 HH TYR A 45 120.270 3.855 8.891 1.00 0.00 H new ATOM 658 N THR A 46 115.220 7.442 2.355 1.00 0.00 N ATOM 659 CA THR A 46 114.696 8.002 1.110 1.00 0.00 C ATOM 660 C THR A 46 115.815 8.649 0.296 1.00 0.00 C ATOM 661 O THR A 46 116.671 9.343 0.847 1.00 0.00 O ATOM 662 CB THR A 46 113.616 9.040 1.421 1.00 0.00 C ATOM 663 OG1 THR A 46 112.626 8.453 2.252 1.00 0.00 O ATOM 664 CG2 THR A 46 112.970 9.519 0.118 1.00 0.00 C ATOM 0 H THR A 46 115.346 8.119 3.107 1.00 0.00 H new ATOM 0 HA THR A 46 114.263 7.193 0.523 1.00 0.00 H new ATOM 0 HB THR A 46 114.067 9.890 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 46 111.800 8.978 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.201 10.258 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.730 9.969 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.518 8.671 -0.397 1.00 0.00 H new ATOM 672 N GLU A 47 115.803 8.422 -1.015 1.00 0.00 N ATOM 673 CA GLU A 47 116.878 8.907 -1.872 1.00 0.00 C ATOM 674 C GLU A 47 116.330 9.361 -3.223 1.00 0.00 C ATOM 675 O GLU A 47 115.315 8.846 -3.691 1.00 0.00 O ATOM 676 CB GLU A 47 117.905 7.790 -2.075 1.00 0.00 C ATOM 677 CG GLU A 47 119.145 8.332 -2.799 1.00 0.00 C ATOM 678 CD GLU A 47 120.167 7.227 -3.089 1.00 0.00 C ATOM 679 OE1 GLU A 47 119.913 6.074 -2.769 1.00 0.00 O ATOM 680 OE2 GLU A 47 121.206 7.557 -3.635 1.00 0.00 O ATOM 0 H GLU A 47 115.068 7.910 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 47 117.354 9.762 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.193 7.371 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 47 117.462 6.980 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.842 8.801 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.611 9.107 -2.190 1.00 0.00 H new ATOM 687 N LYS A 48 116.987 10.351 -3.823 1.00 0.00 N ATOM 688 CA LYS A 48 116.665 10.767 -5.185 1.00 0.00 C ATOM 689 C LYS A 48 117.800 10.376 -6.127 1.00 0.00 C ATOM 690 O LYS A 48 118.974 10.462 -5.764 1.00 0.00 O ATOM 691 CB LYS A 48 116.436 12.280 -5.240 1.00 0.00 C ATOM 692 CG LYS A 48 115.159 12.622 -4.472 1.00 0.00 C ATOM 693 CD LYS A 48 114.976 14.141 -4.427 1.00 0.00 C ATOM 694 CE LYS A 48 114.702 14.665 -5.839 1.00 0.00 C ATOM 695 NZ LYS A 48 114.124 16.035 -5.757 1.00 0.00 N ATOM 0 H LYS A 48 117.744 10.879 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 48 115.750 10.265 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 48 117.287 12.805 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 48 116.352 12.610 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.298 12.156 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 48 115.214 12.222 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 48 114.149 14.399 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 48 115.870 14.614 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 115.626 14.683 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.013 13.999 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 114.048 16.438 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 113.179 15.988 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 114.741 16.638 -5.176 1.00 0.00 H new ATOM 709 N SER A 49 117.449 9.947 -7.333 1.00 0.00 N ATOM 710 CA SER A 49 118.444 9.431 -8.272 1.00 0.00 C ATOM 711 C SER A 49 119.151 10.527 -9.079 1.00 0.00 C ATOM 712 O SER A 49 119.951 10.213 -9.960 1.00 0.00 O ATOM 713 CB SER A 49 117.773 8.454 -9.239 1.00 0.00 C ATOM 714 OG SER A 49 117.318 7.321 -8.514 1.00 0.00 O ATOM 0 H SER A 49 116.491 9.945 -7.684 1.00 0.00 H new ATOM 0 HA SER A 49 119.207 8.934 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.937 8.939 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 118.477 8.147 -10.013 1.00 0.00 H new ATOM 0 HG SER A 49 116.885 6.692 -9.128 1.00 0.00 H new ATOM 720 N ARG A 50 118.876 11.804 -8.795 1.00 0.00 N ATOM 721 CA ARG A 50 119.503 12.906 -9.528 1.00 0.00 C ATOM 722 C ARG A 50 119.441 12.702 -11.043 1.00 0.00 C ATOM 723 O ARG A 50 120.313 12.059 -11.626 1.00 0.00 O ATOM 724 CB ARG A 50 120.965 13.044 -9.097 1.00 0.00 C ATOM 725 CG ARG A 50 121.029 13.396 -7.610 1.00 0.00 C ATOM 726 CD ARG A 50 122.484 13.629 -7.202 1.00 0.00 C ATOM 727 NE ARG A 50 122.589 13.765 -5.746 1.00 0.00 N ATOM 728 CZ ARG A 50 123.676 14.241 -5.122 1.00 0.00 C ATOM 729 NH1 ARG A 50 124.745 14.628 -5.776 1.00 0.00 N ATOM 730 NH2 ARG A 50 123.671 14.322 -3.818 1.00 0.00 N ATOM 0 H ARG A 50 118.226 12.098 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 50 118.948 13.814 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 50 121.500 12.113 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 50 121.457 13.818 -9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 50 120.437 14.290 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 50 120.598 12.590 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 50 123.102 12.798 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 50 122.865 14.528 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 50 121.791 13.482 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 50 124.768 14.572 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 50 125.553 14.985 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 50 122.849 14.026 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 50 124.489 14.682 -3.326 1.00 0.00 H new ATOM 744 N THR A 51 118.412 13.259 -11.677 1.00 0.00 N ATOM 745 CA THR A 51 118.247 13.134 -13.125 1.00 0.00 C ATOM 746 C THR A 51 118.232 14.513 -13.778 1.00 0.00 C ATOM 747 O THR A 51 118.012 15.521 -13.109 1.00 0.00 O ATOM 748 CB THR A 51 116.937 12.407 -13.446 1.00 0.00 C ATOM 749 OG1 THR A 51 115.841 13.191 -12.993 1.00 0.00 O ATOM 750 CG2 THR A 51 116.913 11.042 -12.756 1.00 0.00 C ATOM 0 H THR A 51 117.682 13.800 -11.214 1.00 0.00 H new ATOM 0 HA THR A 51 119.086 12.560 -13.518 1.00 0.00 H new ATOM 0 HB THR A 51 116.862 12.260 -14.523 1.00 0.00 H new ATOM 0 HG1 THR A 51 115.001 12.729 -13.199 1.00 0.00 H new ATOM 0 HG21 THR A 51 115.978 10.533 -12.990 1.00 0.00 H new ATOM 0 HG22 THR A 51 117.752 10.441 -13.108 1.00 0.00 H new ATOM 0 HG23 THR A 51 116.992 11.178 -11.677 1.00 0.00 H new ATOM 758 N ALA A 52 118.460 14.550 -15.090 1.00 0.00 N ATOM 759 CA ALA A 52 118.494 15.821 -15.805 1.00 0.00 C ATOM 760 C ALA A 52 117.156 16.540 -15.682 1.00 0.00 C ATOM 761 O ALA A 52 116.242 16.314 -16.476 1.00 0.00 O ATOM 762 CB ALA A 52 118.815 15.582 -17.281 1.00 0.00 C ATOM 0 H ALA A 52 118.621 13.727 -15.671 1.00 0.00 H new ATOM 0 HA ALA A 52 119.270 16.445 -15.362 1.00 0.00 H new ATOM 0 HB1 ALA A 52 118.838 16.536 -17.807 1.00 0.00 H new ATOM 0 HB2 ALA A 52 119.787 15.096 -17.368 1.00 0.00 H new ATOM 0 HB3 ALA A 52 118.049 14.944 -17.721 1.00 0.00 H new ATOM 768 N SER A 53 117.061 17.419 -14.689 1.00 0.00 N ATOM 769 CA SER A 53 115.832 18.162 -14.433 1.00 0.00 C ATOM 770 C SER A 53 116.040 19.117 -13.264 1.00 0.00 C ATOM 771 O SER A 53 117.149 19.239 -12.742 1.00 0.00 O ATOM 772 CB SER A 53 114.689 17.199 -14.105 1.00 0.00 C ATOM 773 OG SER A 53 113.479 17.934 -13.979 1.00 0.00 O ATOM 0 H SER A 53 117.823 17.635 -14.047 1.00 0.00 H new ATOM 0 HA SER A 53 115.575 18.730 -15.327 1.00 0.00 H new ATOM 0 HB2 SER A 53 114.593 16.449 -14.890 1.00 0.00 H new ATOM 0 HB3 SER A 53 114.902 16.665 -13.179 1.00 0.00 H new ATOM 0 HG SER A 53 113.416 18.588 -14.706 1.00 0.00 H new ATOM 779 N SER A 54 114.972 19.795 -12.853 1.00 0.00 N ATOM 780 CA SER A 54 115.043 20.675 -11.690 1.00 0.00 C ATOM 781 C SER A 54 115.468 19.902 -10.438 1.00 0.00 C ATOM 782 O SER A 54 116.145 20.447 -9.566 1.00 0.00 O ATOM 783 CB SER A 54 113.683 21.327 -11.450 1.00 0.00 C ATOM 784 OG SER A 54 112.752 20.334 -11.042 1.00 0.00 O ATOM 0 H SER A 54 114.057 19.754 -13.302 1.00 0.00 H new ATOM 0 HA SER A 54 115.790 21.443 -11.891 1.00 0.00 H new ATOM 0 HB2 SER A 54 113.767 22.099 -10.685 1.00 0.00 H new ATOM 0 HB3 SER A 54 113.335 21.816 -12.360 1.00 0.00 H new ATOM 0 HG SER A 54 111.878 20.749 -10.885 1.00 0.00 H new ATOM 790 N GLY A 55 115.070 18.634 -10.350 1.00 0.00 N ATOM 791 CA GLY A 55 115.446 17.788 -9.218 1.00 0.00 C ATOM 792 C GLY A 55 116.817 17.128 -9.411 1.00 0.00 C ATOM 793 O GLY A 55 117.102 16.105 -8.789 1.00 0.00 O ATOM 0 H GLY A 55 114.488 18.170 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 115.460 18.388 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 55 114.690 17.015 -9.079 1.00 0.00 H new ATOM 797 N ASP A 56 117.665 17.704 -10.263 1.00 0.00 N ATOM 798 CA ASP A 56 118.972 17.116 -10.548 1.00 0.00 C ATOM 799 C ASP A 56 119.761 16.854 -9.267 1.00 0.00 C ATOM 800 O ASP A 56 120.511 15.883 -9.184 1.00 0.00 O ATOM 801 CB ASP A 56 119.769 18.044 -11.470 1.00 0.00 C ATOM 802 CG ASP A 56 120.058 19.379 -10.784 1.00 0.00 C ATOM 803 OD1 ASP A 56 119.283 19.775 -9.929 1.00 0.00 O ATOM 804 OD2 ASP A 56 121.055 19.991 -11.132 1.00 0.00 O ATOM 0 H ASP A 56 117.472 18.571 -10.764 1.00 0.00 H new ATOM 0 HA ASP A 56 118.809 16.158 -11.042 1.00 0.00 H new ATOM 0 HB2 ASP A 56 120.707 17.565 -11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 56 119.210 18.217 -12.390 1.00 0.00 H new ATOM 809 N TYR A 57 119.595 17.719 -8.269 1.00 0.00 N ATOM 810 CA TYR A 57 120.253 17.519 -6.981 1.00 0.00 C ATOM 811 C TYR A 57 119.237 17.063 -5.940 1.00 0.00 C ATOM 812 O TYR A 57 118.148 17.630 -5.833 1.00 0.00 O ATOM 813 CB TYR A 57 120.905 18.822 -6.515 1.00 0.00 C ATOM 814 CG TYR A 57 122.016 19.301 -7.420 1.00 0.00 C ATOM 815 CD1 TYR A 57 123.258 18.654 -7.405 1.00 0.00 C ATOM 816 CD2 TYR A 57 121.806 20.394 -8.271 1.00 0.00 C ATOM 817 CE1 TYR A 57 124.288 19.099 -8.240 1.00 0.00 C ATOM 818 CE2 TYR A 57 122.838 20.837 -9.105 1.00 0.00 C ATOM 819 CZ TYR A 57 124.078 20.190 -9.092 1.00 0.00 C ATOM 820 OH TYR A 57 125.095 20.629 -9.915 1.00 0.00 O ATOM 0 H TYR A 57 119.016 18.557 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 57 121.020 16.753 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.142 19.597 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.302 18.680 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 57 123.420 17.812 -6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 57 120.849 20.894 -8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 57 125.246 18.601 -8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 57 122.677 21.680 -9.760 1.00 0.00 H new ATOM 0 HH TYR A 57 124.782 21.394 -10.442 1.00 0.00 H new ATOM 830 N ASN A 58 119.597 16.036 -5.178 1.00 0.00 N ATOM 831 CA ASN A 58 118.706 15.512 -4.147 1.00 0.00 C ATOM 832 C ASN A 58 118.288 16.611 -3.173 1.00 0.00 C ATOM 833 O ASN A 58 118.828 17.717 -3.197 1.00 0.00 O ATOM 834 CB ASN A 58 119.397 14.373 -3.390 1.00 0.00 C ATOM 835 CG ASN A 58 120.632 14.885 -2.651 1.00 0.00 C ATOM 836 OD1 ASN A 58 121.162 15.947 -2.981 1.00 0.00 O ATOM 837 ND2 ASN A 58 121.122 14.190 -1.664 1.00 0.00 N ATOM 0 H ASN A 58 120.492 15.552 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 58 117.808 15.130 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 58 118.701 13.927 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 58 119.685 13.588 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.945 14.525 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 58 120.682 13.311 -1.392 1.00 0.00 H new ATOM 844 N LYS A 59 117.322 16.294 -2.318 1.00 0.00 N ATOM 845 CA LYS A 59 116.791 17.264 -1.367 1.00 0.00 C ATOM 846 C LYS A 59 116.663 16.628 0.026 1.00 0.00 C ATOM 847 O LYS A 59 117.375 15.670 0.333 1.00 0.00 O ATOM 848 CB LYS A 59 115.451 17.800 -1.902 1.00 0.00 C ATOM 849 CG LYS A 59 114.375 16.709 -1.862 1.00 0.00 C ATOM 850 CD LYS A 59 113.094 17.226 -2.519 1.00 0.00 C ATOM 851 CE LYS A 59 111.937 16.276 -2.201 1.00 0.00 C ATOM 852 NZ LYS A 59 111.373 16.613 -0.864 1.00 0.00 N ATOM 0 H LYS A 59 116.890 15.372 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 59 117.472 18.108 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 59 115.132 18.655 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 59 115.578 18.155 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.727 15.818 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 59 114.175 16.419 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 59 112.866 18.228 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 59 113.231 17.301 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.164 16.358 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.286 15.244 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.587 15.968 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.113 16.513 -0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.025 17.593 -0.871 1.00 0.00 H new ATOM 866 N ASN A 60 115.767 17.148 0.868 1.00 0.00 N ATOM 867 CA ASN A 60 115.576 16.630 2.224 1.00 0.00 C ATOM 868 C ASN A 60 115.432 15.107 2.227 1.00 0.00 C ATOM 869 O ASN A 60 114.791 14.535 1.346 1.00 0.00 O ATOM 870 CB ASN A 60 114.319 17.260 2.828 1.00 0.00 C ATOM 871 CG ASN A 60 114.377 17.196 4.349 1.00 0.00 C ATOM 872 OD1 ASN A 60 115.101 17.968 4.976 1.00 0.00 O ATOM 873 ND2 ASN A 60 113.650 16.319 4.985 1.00 0.00 N ATOM 0 H ASN A 60 115.159 17.932 0.632 1.00 0.00 H new ATOM 0 HA ASN A 60 116.454 16.887 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.231 18.297 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 60 113.433 16.737 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 60 113.681 16.273 6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 60 113.050 15.680 4.464 1.00 0.00 H new ATOM 880 N GLN A 61 116.031 14.459 3.222 1.00 0.00 N ATOM 881 CA GLN A 61 116.034 12.999 3.290 1.00 0.00 C ATOM 882 C GLN A 61 115.201 12.530 4.475 1.00 0.00 C ATOM 883 O GLN A 61 115.072 13.250 5.465 1.00 0.00 O ATOM 884 CB GLN A 61 117.468 12.485 3.437 1.00 0.00 C ATOM 885 CG GLN A 61 118.273 12.848 2.187 1.00 0.00 C ATOM 886 CD GLN A 61 119.730 12.420 2.343 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.200 12.179 3.456 1.00 0.00 O ATOM 888 NE2 GLN A 61 120.481 12.308 1.280 1.00 0.00 N ATOM 0 H GLN A 61 116.519 14.919 3.990 1.00 0.00 H new ATOM 0 HA GLN A 61 115.603 12.604 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 61 117.933 12.922 4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 61 117.465 11.404 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 61 117.837 12.363 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 61 118.221 13.923 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 61 120.093 12.507 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 61 121.456 12.021 1.372 1.00 0.00 H new ATOM 897 N TYR A 62 114.641 11.326 4.377 1.00 0.00 N ATOM 898 CA TYR A 62 113.768 10.807 5.427 1.00 0.00 C ATOM 899 C TYR A 62 114.312 9.503 6.000 1.00 0.00 C ATOM 900 O TYR A 62 114.775 8.629 5.266 1.00 0.00 O ATOM 901 CB TYR A 62 112.367 10.568 4.864 1.00 0.00 C ATOM 902 CG TYR A 62 111.722 11.817 4.310 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.108 12.729 5.175 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.740 12.063 2.932 1.00 0.00 C ATOM 905 CE1 TYR A 62 110.510 13.887 4.662 1.00 0.00 C ATOM 906 CE2 TYR A 62 111.143 13.219 2.418 1.00 0.00 C ATOM 907 CZ TYR A 62 110.528 14.133 3.285 1.00 0.00 C ATOM 908 OH TYR A 62 109.940 15.273 2.779 1.00 0.00 O ATOM 0 H TYR A 62 114.775 10.695 3.587 1.00 0.00 H new ATOM 0 HA TYR A 62 113.725 11.546 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 62 112.423 9.817 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 62 111.733 10.158 5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.095 12.540 6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 62 112.215 11.359 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.035 14.590 5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 62 111.156 13.407 1.355 1.00 0.00 H new ATOM 0 HH TYR A 62 110.043 15.289 1.805 1.00 0.00 H new ATOM 918 N TYR A 63 114.248 9.387 7.323 1.00 0.00 N ATOM 919 CA TYR A 63 114.648 8.165 8.009 1.00 0.00 C ATOM 920 C TYR A 63 113.473 7.664 8.840 1.00 0.00 C ATOM 921 O TYR A 63 112.931 8.408 9.653 1.00 0.00 O ATOM 922 CB TYR A 63 115.841 8.447 8.922 1.00 0.00 C ATOM 923 CG TYR A 63 116.334 7.231 9.668 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.225 6.346 9.053 1.00 0.00 C ATOM 925 CD2 TYR A 63 115.901 6.991 10.979 1.00 0.00 C ATOM 926 CE1 TYR A 63 117.685 5.220 9.747 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.360 5.864 11.672 1.00 0.00 C ATOM 928 CZ TYR A 63 117.253 4.980 11.055 1.00 0.00 C ATOM 929 OH TYR A 63 117.707 3.869 11.738 1.00 0.00 O ATOM 0 H TYR A 63 113.921 10.128 7.943 1.00 0.00 H new ATOM 0 HA TYR A 63 114.936 7.410 7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.658 8.851 8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.562 9.216 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.558 6.531 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.214 7.675 11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.374 4.537 9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.025 5.677 12.682 1.00 0.00 H new ATOM 0 HH TYR A 63 117.465 3.059 11.242 1.00 0.00 H new ATOM 939 N GLY A 64 113.068 6.415 8.625 1.00 0.00 N ATOM 940 CA GLY A 64 111.897 5.878 9.313 1.00 0.00 C ATOM 941 C GLY A 64 112.208 4.557 10.003 1.00 0.00 C ATOM 942 O GLY A 64 112.918 3.715 9.452 1.00 0.00 O ATOM 0 H GLY A 64 113.526 5.763 7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.545 6.600 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.088 5.733 8.597 1.00 0.00 H new ATOM 946 N ILE A 65 111.670 4.392 11.208 1.00 0.00 N ATOM 947 CA ILE A 65 111.818 3.141 11.948 1.00 0.00 C ATOM 948 C ILE A 65 110.434 2.619 12.327 1.00 0.00 C ATOM 949 O ILE A 65 109.647 3.337 12.944 1.00 0.00 O ATOM 950 CB ILE A 65 112.672 3.378 13.201 1.00 0.00 C ATOM 951 CG1 ILE A 65 112.844 2.068 13.978 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.003 4.418 14.103 1.00 0.00 C ATOM 953 CD1 ILE A 65 113.949 2.232 15.022 1.00 0.00 C ATOM 0 H ILE A 65 111.128 5.107 11.693 1.00 0.00 H new ATOM 0 HA ILE A 65 112.319 2.398 11.328 1.00 0.00 H new ATOM 0 HB ILE A 65 113.651 3.744 12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 65 111.907 1.797 14.465 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.094 1.258 13.293 1.00 0.00 H new ATOM 0 HG21 ILE A 65 112.616 4.579 14.989 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.897 5.357 13.559 1.00 0.00 H new ATOM 0 HG23 ILE A 65 111.018 4.060 14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 65 114.070 1.300 15.573 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.886 2.483 14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 65 113.680 3.030 15.714 1.00 0.00 H new ATOM 965 N THR A 66 110.136 1.384 11.931 1.00 0.00 N ATOM 966 CA THR A 66 108.829 0.788 12.208 1.00 0.00 C ATOM 967 C THR A 66 108.983 -0.520 12.979 1.00 0.00 C ATOM 968 O THR A 66 110.006 -1.194 12.868 1.00 0.00 O ATOM 969 CB THR A 66 108.079 0.499 10.898 1.00 0.00 C ATOM 970 OG1 THR A 66 108.719 -0.575 10.227 1.00 0.00 O ATOM 971 CG2 THR A 66 108.044 1.725 9.973 1.00 0.00 C ATOM 0 H THR A 66 110.777 0.778 11.420 1.00 0.00 H new ATOM 0 HA THR A 66 108.263 1.501 12.808 1.00 0.00 H new ATOM 0 HB THR A 66 107.050 0.242 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 66 109.589 -0.277 9.888 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.504 1.476 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.540 2.548 10.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 109.063 2.022 9.723 1.00 0.00 H new ATOM 979 N ALA A 67 107.947 -0.877 13.731 1.00 0.00 N ATOM 980 CA ALA A 67 107.908 -2.162 14.422 1.00 0.00 C ATOM 981 C ALA A 67 106.469 -2.663 14.460 1.00 0.00 C ATOM 982 O ALA A 67 105.545 -1.847 14.521 1.00 0.00 O ATOM 983 CB ALA A 67 108.444 -2.013 15.848 1.00 0.00 C ATOM 0 H ALA A 67 107.123 -0.295 13.878 1.00 0.00 H new ATOM 0 HA ALA A 67 108.534 -2.878 13.889 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.409 -2.979 16.352 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.474 -1.658 15.814 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.831 -1.296 16.394 1.00 0.00 H new ATOM 989 N GLY A 68 106.269 -3.979 14.375 1.00 0.00 N ATOM 990 CA GLY A 68 104.908 -4.510 14.372 1.00 0.00 C ATOM 991 C GLY A 68 104.858 -6.028 14.562 1.00 0.00 C ATOM 992 O GLY A 68 105.896 -6.688 14.542 1.00 0.00 O ATOM 0 H GLY A 68 107.009 -4.678 14.309 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.335 -4.031 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.425 -4.251 13.430 1.00 0.00 H new ATOM 996 N PRO A 69 103.681 -6.590 14.752 1.00 0.00 N ATOM 997 CA PRO A 69 103.519 -8.062 14.881 1.00 0.00 C ATOM 998 C PRO A 69 103.107 -8.730 13.570 1.00 0.00 C ATOM 999 O PRO A 69 102.205 -8.262 12.870 1.00 0.00 O ATOM 1000 CB PRO A 69 102.403 -8.179 15.922 1.00 0.00 C ATOM 1001 CG PRO A 69 101.551 -6.965 15.732 1.00 0.00 C ATOM 1002 CD PRO A 69 102.368 -5.942 14.933 1.00 0.00 C ATOM 0 HA PRO A 69 104.448 -8.560 15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.824 -9.091 15.776 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.811 -8.218 16.932 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.634 -7.221 15.201 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.256 -6.550 16.696 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.899 -5.718 13.975 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.460 -4.998 15.471 1.00 0.00 H new ATOM 1010 N ALA A 70 103.872 -9.746 13.182 1.00 0.00 N ATOM 1011 CA ALA A 70 103.494 -10.635 12.092 1.00 0.00 C ATOM 1012 C ALA A 70 102.502 -11.684 12.588 1.00 0.00 C ATOM 1013 O ALA A 70 102.643 -12.183 13.707 1.00 0.00 O ATOM 1014 CB ALA A 70 104.734 -11.329 11.525 1.00 0.00 C ATOM 0 H ALA A 70 104.768 -9.974 13.613 1.00 0.00 H new ATOM 0 HA ALA A 70 103.024 -10.042 11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.440 -11.991 10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.431 -10.580 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.216 -11.911 12.310 1.00 0.00 H new ATOM 1020 N TYR A 71 101.537 -12.047 11.746 1.00 0.00 N ATOM 1021 CA TYR A 71 100.604 -13.122 12.068 1.00 0.00 C ATOM 1022 C TYR A 71 100.863 -14.290 11.126 1.00 0.00 C ATOM 1023 O TYR A 71 100.934 -14.101 9.908 1.00 0.00 O ATOM 1024 CB TYR A 71 99.162 -12.637 11.910 1.00 0.00 C ATOM 1025 CG TYR A 71 98.812 -11.487 12.824 1.00 0.00 C ATOM 1026 CD1 TYR A 71 98.292 -11.740 14.099 1.00 0.00 C ATOM 1027 CD2 TYR A 71 99.006 -10.168 12.396 1.00 0.00 C ATOM 1028 CE1 TYR A 71 97.966 -10.674 14.946 1.00 0.00 C ATOM 1029 CE2 TYR A 71 98.680 -9.102 13.243 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.161 -9.355 14.519 1.00 0.00 C ATOM 1031 OH TYR A 71 97.840 -8.304 15.353 1.00 0.00 O ATOM 0 H TYR A 71 101.381 -11.612 10.836 1.00 0.00 H new ATOM 0 HA TYR A 71 100.750 -13.436 13.101 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.001 -12.332 10.876 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.484 -13.467 12.107 1.00 0.00 H new ATOM 0 HD1 TYR A 71 98.142 -12.757 14.429 1.00 0.00 H new ATOM 0 HD2 TYR A 71 99.407 -9.973 11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 71 97.564 -10.869 15.929 1.00 0.00 H new ATOM 0 HE2 TYR A 71 98.829 -8.085 12.912 1.00 0.00 H new ATOM 0 HH TYR A 71 98.038 -7.457 14.902 1.00 0.00 H new ATOM 1041 N ARG A 72 100.956 -15.494 11.683 1.00 0.00 N ATOM 1042 CA ARG A 72 101.415 -16.643 10.909 1.00 0.00 C ATOM 1043 C ARG A 72 100.246 -17.445 10.352 1.00 0.00 C ATOM 1044 O ARG A 72 99.526 -18.123 11.085 1.00 0.00 O ATOM 1045 CB ARG A 72 102.277 -17.556 11.786 1.00 0.00 C ATOM 1046 CG ARG A 72 103.450 -16.771 12.383 1.00 0.00 C ATOM 1047 CD ARG A 72 104.417 -16.347 11.275 1.00 0.00 C ATOM 1048 NE ARG A 72 105.610 -15.726 11.860 1.00 0.00 N ATOM 1049 CZ ARG A 72 106.806 -15.706 11.253 1.00 0.00 C ATOM 1050 NH1 ARG A 72 107.004 -16.247 10.076 1.00 0.00 N ATOM 1051 NH2 ARG A 72 107.809 -15.129 11.857 1.00 0.00 N ATOM 0 H ARG A 72 100.723 -15.698 12.655 1.00 0.00 H new ATOM 0 HA ARG A 72 102.003 -16.263 10.074 1.00 0.00 H new ATOM 0 HB2 ARG A 72 101.671 -17.981 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 72 102.653 -18.390 11.194 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.079 -15.891 12.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.972 -17.385 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.703 -17.214 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.925 -15.646 10.601 1.00 0.00 H new ATOM 0 HE ARG A 72 105.526 -15.286 12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.233 -16.704 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.929 -16.211 9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.676 -14.704 12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 72 108.726 -15.104 11.412 1.00 0.00 H new ATOM 1065 N ILE A 73 100.077 -17.353 9.039 1.00 0.00 N ATOM 1066 CA ILE A 73 99.090 -18.154 8.326 1.00 0.00 C ATOM 1067 C ILE A 73 99.767 -19.392 7.747 1.00 0.00 C ATOM 1068 O ILE A 73 100.817 -19.285 7.110 1.00 0.00 O ATOM 1069 CB ILE A 73 98.451 -17.336 7.196 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.872 -16.019 7.738 1.00 0.00 C ATOM 1071 CG2 ILE A 73 97.338 -18.155 6.541 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.814 -16.278 8.821 1.00 0.00 C ATOM 0 H ILE A 73 100.616 -16.726 8.442 1.00 0.00 H new ATOM 0 HA ILE A 73 98.307 -18.455 9.022 1.00 0.00 H new ATOM 0 HB ILE A 73 99.218 -17.099 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 73 98.675 -15.409 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.427 -15.451 6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.883 -17.575 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.756 -19.075 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.580 -18.400 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.424 -15.327 9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.999 -16.867 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.267 -16.824 9.649 1.00 0.00 H new ATOM 1084 N ASN A 74 99.171 -20.561 7.963 1.00 0.00 N ATOM 1085 CA ASN A 74 99.775 -21.804 7.489 1.00 0.00 C ATOM 1086 C ASN A 74 99.905 -21.796 5.965 1.00 0.00 C ATOM 1087 O ASN A 74 100.864 -22.339 5.418 1.00 0.00 O ATOM 1088 CB ASN A 74 98.923 -22.998 7.926 1.00 0.00 C ATOM 1089 CG ASN A 74 98.865 -23.067 9.448 1.00 0.00 C ATOM 1090 OD1 ASN A 74 97.791 -23.241 10.021 1.00 0.00 O ATOM 1091 ND2 ASN A 74 99.965 -22.942 10.140 1.00 0.00 N ATOM 0 H ASN A 74 98.285 -20.675 8.455 1.00 0.00 H new ATOM 0 HA ASN A 74 100.771 -21.889 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 74 97.916 -22.905 7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 74 99.344 -23.921 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 74 99.935 -22.989 11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 74 100.855 -22.798 9.662 1.00 0.00 H new ATOM 1098 N ASP A 75 98.940 -21.185 5.281 1.00 0.00 N ATOM 1099 CA ASP A 75 99.062 -20.953 3.847 1.00 0.00 C ATOM 1100 C ASP A 75 100.121 -19.877 3.602 1.00 0.00 C ATOM 1101 O ASP A 75 100.672 -19.319 4.551 1.00 0.00 O ATOM 1102 CB ASP A 75 97.714 -20.501 3.282 1.00 0.00 C ATOM 1103 CG ASP A 75 97.710 -20.619 1.762 1.00 0.00 C ATOM 1104 OD1 ASP A 75 97.337 -21.671 1.270 1.00 0.00 O ATOM 1105 OD2 ASP A 75 98.079 -19.656 1.111 1.00 0.00 O ATOM 0 H ASP A 75 98.072 -20.845 5.694 1.00 0.00 H new ATOM 0 HA ASP A 75 99.361 -21.875 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 75 96.913 -21.109 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 75 97.517 -19.469 3.574 1.00 0.00 H new ATOM 1110 N TRP A 76 100.433 -19.615 2.336 1.00 0.00 N ATOM 1111 CA TRP A 76 101.384 -18.559 1.998 1.00 0.00 C ATOM 1112 C TRP A 76 100.670 -17.208 1.910 1.00 0.00 C ATOM 1113 O TRP A 76 100.822 -16.459 0.944 1.00 0.00 O ATOM 1114 CB TRP A 76 102.066 -18.892 0.670 1.00 0.00 C ATOM 1115 CG TRP A 76 102.892 -20.139 0.723 1.00 0.00 C ATOM 1116 CD1 TRP A 76 104.104 -20.244 1.313 1.00 0.00 C ATOM 1117 CD2 TRP A 76 102.586 -21.457 0.179 1.00 0.00 C ATOM 1118 NE1 TRP A 76 104.564 -21.539 1.167 1.00 0.00 N ATOM 1119 CE2 TRP A 76 103.666 -22.326 0.474 1.00 0.00 C ATOM 1120 CE3 TRP A 76 101.493 -21.977 -0.534 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 103.656 -23.665 0.074 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 101.479 -23.320 -0.938 1.00 0.00 C ATOM 1123 CH2 TRP A 76 102.558 -24.163 -0.635 1.00 0.00 C ATOM 0 H TRP A 76 100.046 -20.113 1.534 1.00 0.00 H new ATOM 0 HA TRP A 76 102.140 -18.494 2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 76 101.306 -19.001 -0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 76 102.701 -18.056 0.377 1.00 0.00 H new ATOM 0 HD1 TRP A 76 104.628 -19.445 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 76 105.458 -21.873 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 76 100.656 -21.337 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 104.489 -24.310 0.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 100.632 -23.707 -1.486 1.00 0.00 H new ATOM 0 HH2 TRP A 76 102.541 -25.196 -0.949 1.00 0.00 H new ATOM 1134 N ALA A 77 99.891 -16.908 2.945 1.00 0.00 N ATOM 1135 CA ALA A 77 99.062 -15.706 2.986 1.00 0.00 C ATOM 1136 C ALA A 77 99.390 -14.819 4.191 1.00 0.00 C ATOM 1137 O ALA A 77 98.548 -14.023 4.611 1.00 0.00 O ATOM 1138 CB ALA A 77 97.586 -16.099 3.036 1.00 0.00 C ATOM 0 H ALA A 77 99.816 -17.491 3.779 1.00 0.00 H new ATOM 0 HA ALA A 77 99.272 -15.134 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.971 -15.200 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 77 97.334 -16.681 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.399 -16.697 3.928 1.00 0.00 H new ATOM 1144 N SER A 78 100.594 -14.939 4.754 1.00 0.00 N ATOM 1145 CA SER A 78 100.846 -14.400 6.086 1.00 0.00 C ATOM 1146 C SER A 78 100.810 -12.880 6.043 1.00 0.00 C ATOM 1147 O SER A 78 101.134 -12.277 5.024 1.00 0.00 O ATOM 1148 CB SER A 78 102.208 -14.870 6.597 1.00 0.00 C ATOM 1149 OG SER A 78 102.249 -16.290 6.575 1.00 0.00 O ATOM 0 H SER A 78 101.394 -15.396 4.316 1.00 0.00 H new ATOM 0 HA SER A 78 100.071 -14.760 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 78 103.004 -14.461 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.376 -14.505 7.610 1.00 0.00 H new ATOM 0 HG SER A 78 103.121 -16.597 6.900 1.00 0.00 H new ATOM 1155 N ILE A 79 100.421 -12.263 7.156 1.00 0.00 N ATOM 1156 CA ILE A 79 100.142 -10.829 7.158 1.00 0.00 C ATOM 1157 C ILE A 79 100.884 -10.161 8.305 1.00 0.00 C ATOM 1158 O ILE A 79 100.808 -10.615 9.442 1.00 0.00 O ATOM 1159 CB ILE A 79 98.632 -10.587 7.310 1.00 0.00 C ATOM 1160 CG1 ILE A 79 97.872 -11.318 6.200 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.335 -9.087 7.212 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.368 -11.219 6.456 1.00 0.00 C ATOM 0 H ILE A 79 100.293 -12.725 8.056 1.00 0.00 H new ATOM 0 HA ILE A 79 100.479 -10.402 6.213 1.00 0.00 H new ATOM 0 HB ILE A 79 98.312 -10.963 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.115 -10.882 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.177 -12.364 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.263 -8.920 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.866 -8.558 8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.664 -8.714 6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 79 95.829 -11.740 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.132 -11.675 7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 79 96.069 -10.171 6.469 1.00 0.00 H new ATOM 1174 N TYR A 80 101.600 -9.081 8.006 1.00 0.00 N ATOM 1175 CA TYR A 80 102.280 -8.321 9.052 1.00 0.00 C ATOM 1176 C TYR A 80 101.940 -6.843 8.922 1.00 0.00 C ATOM 1177 O TYR A 80 101.852 -6.326 7.811 1.00 0.00 O ATOM 1178 CB TYR A 80 103.795 -8.538 8.958 1.00 0.00 C ATOM 1179 CG TYR A 80 104.441 -7.925 7.736 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.461 -8.630 6.528 1.00 0.00 C ATOM 1181 CD2 TYR A 80 105.022 -6.655 7.815 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.066 -8.064 5.398 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.625 -6.089 6.685 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.646 -6.794 5.476 1.00 0.00 C ATOM 1185 OH TYR A 80 106.242 -6.238 4.363 1.00 0.00 O ATOM 0 H TYR A 80 101.724 -8.715 7.062 1.00 0.00 H new ATOM 0 HA TYR A 80 101.942 -8.671 10.027 1.00 0.00 H new ATOM 0 HB2 TYR A 80 104.265 -8.122 9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.997 -9.609 8.962 1.00 0.00 H new ATOM 0 HD1 TYR A 80 104.011 -9.610 6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 80 105.006 -6.111 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 80 105.084 -8.609 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 80 106.074 -5.109 6.746 1.00 0.00 H new ATOM 0 HH TYR A 80 106.904 -6.863 4.000 1.00 0.00 H new ATOM 1195 N GLY A 81 101.739 -6.181 10.059 1.00 0.00 N ATOM 1196 CA GLY A 81 101.442 -4.750 10.057 1.00 0.00 C ATOM 1197 C GLY A 81 102.341 -4.019 11.045 1.00 0.00 C ATOM 1198 O GLY A 81 102.550 -4.492 12.160 1.00 0.00 O ATOM 0 H GLY A 81 101.776 -6.607 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.586 -4.344 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.396 -4.589 10.319 1.00 0.00 H new ATOM 1202 N VAL A 82 102.851 -2.857 10.643 1.00 0.00 N ATOM 1203 CA VAL A 82 103.809 -2.124 11.468 1.00 0.00 C ATOM 1204 C VAL A 82 103.469 -0.639 11.516 1.00 0.00 C ATOM 1205 O VAL A 82 102.815 -0.114 10.615 1.00 0.00 O ATOM 1206 CB VAL A 82 105.226 -2.295 10.907 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.637 -3.768 10.952 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.268 -1.809 9.455 1.00 0.00 C ATOM 0 H VAL A 82 102.619 -2.405 9.758 1.00 0.00 H new ATOM 0 HA VAL A 82 103.758 -2.530 12.478 1.00 0.00 H new ATOM 0 HB VAL A 82 105.916 -1.709 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.645 -3.877 10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.617 -4.120 11.983 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.943 -4.358 10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.276 -1.932 9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 82 104.569 -2.393 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.988 -0.756 9.415 1.00 0.00 H new ATOM 1218 N VAL A 83 103.941 0.029 12.564 1.00 0.00 N ATOM 1219 CA VAL A 83 103.809 1.476 12.680 1.00 0.00 C ATOM 1220 C VAL A 83 105.172 2.059 13.042 1.00 0.00 C ATOM 1221 O VAL A 83 105.916 1.446 13.809 1.00 0.00 O ATOM 1222 CB VAL A 83 102.760 1.826 13.743 1.00 0.00 C ATOM 1223 CG1 VAL A 83 103.184 1.276 15.108 1.00 0.00 C ATOM 1224 CG2 VAL A 83 102.608 3.348 13.833 1.00 0.00 C ATOM 0 H VAL A 83 104.421 -0.412 13.349 1.00 0.00 H new ATOM 0 HA VAL A 83 103.475 1.902 11.734 1.00 0.00 H new ATOM 0 HB VAL A 83 101.808 1.377 13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 83 102.431 1.532 15.853 1.00 0.00 H new ATOM 0 HG12 VAL A 83 103.283 0.192 15.049 1.00 0.00 H new ATOM 0 HG13 VAL A 83 104.141 1.712 15.395 1.00 0.00 H new ATOM 0 HG21 VAL A 83 101.862 3.595 14.589 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.564 3.794 14.107 1.00 0.00 H new ATOM 0 HG23 VAL A 83 102.289 3.740 12.867 1.00 0.00 H new ATOM 1234 N GLY A 84 105.516 3.207 12.465 1.00 0.00 N ATOM 1235 CA GLY A 84 106.842 3.770 12.669 1.00 0.00 C ATOM 1236 C GLY A 84 106.798 5.288 12.659 1.00 0.00 C ATOM 1237 O GLY A 84 105.764 5.889 12.378 1.00 0.00 O ATOM 0 H GLY A 84 104.904 3.757 11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.247 3.421 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.515 3.417 11.887 1.00 0.00 H new ATOM 1241 N VAL A 85 107.942 5.901 12.936 1.00 0.00 N ATOM 1242 CA VAL A 85 108.048 7.355 12.907 1.00 0.00 C ATOM 1243 C VAL A 85 109.096 7.752 11.876 1.00 0.00 C ATOM 1244 O VAL A 85 110.162 7.139 11.805 1.00 0.00 O ATOM 1245 CB VAL A 85 108.420 7.878 14.300 1.00 0.00 C ATOM 1246 CG1 VAL A 85 109.779 7.318 14.735 1.00 0.00 C ATOM 1247 CG2 VAL A 85 108.486 9.407 14.273 1.00 0.00 C ATOM 0 H VAL A 85 108.806 5.417 13.182 1.00 0.00 H new ATOM 0 HA VAL A 85 107.091 7.796 12.627 1.00 0.00 H new ATOM 0 HB VAL A 85 107.660 7.554 15.011 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.029 7.698 15.725 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.731 6.229 14.766 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.545 7.627 14.024 1.00 0.00 H new ATOM 0 HG21 VAL A 85 108.750 9.777 15.263 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.240 9.726 13.553 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.515 9.808 13.983 1.00 0.00 H new ATOM 1257 N GLY A 86 108.771 8.748 11.058 1.00 0.00 N ATOM 1258 CA GLY A 86 109.709 9.226 10.042 1.00 0.00 C ATOM 1259 C GLY A 86 110.097 10.676 10.302 1.00 0.00 C ATOM 1260 O GLY A 86 109.237 11.511 10.577 1.00 0.00 O ATOM 0 H GLY A 86 107.876 9.237 11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.602 8.601 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.258 9.137 9.054 1.00 0.00 H new ATOM 1264 N TYR A 87 111.395 10.961 10.224 1.00 0.00 N ATOM 1265 CA TYR A 87 111.899 12.311 10.452 1.00 0.00 C ATOM 1266 C TYR A 87 112.674 12.796 9.233 1.00 0.00 C ATOM 1267 O TYR A 87 113.389 12.022 8.599 1.00 0.00 O ATOM 1268 CB TYR A 87 112.825 12.328 11.672 1.00 0.00 C ATOM 1269 CG TYR A 87 112.154 11.892 12.954 1.00 0.00 C ATOM 1270 CD1 TYR A 87 111.361 12.796 13.670 1.00 0.00 C ATOM 1271 CD2 TYR A 87 112.333 10.589 13.428 1.00 0.00 C ATOM 1272 CE1 TYR A 87 110.746 12.396 14.862 1.00 0.00 C ATOM 1273 CE2 TYR A 87 111.717 10.187 14.620 1.00 0.00 C ATOM 1274 CZ TYR A 87 110.924 11.091 15.336 1.00 0.00 C ATOM 1275 OH TYR A 87 110.318 10.696 16.512 1.00 0.00 O ATOM 0 H TYR A 87 112.116 10.274 10.004 1.00 0.00 H new ATOM 0 HA TYR A 87 111.049 12.971 10.629 1.00 0.00 H new ATOM 0 HB2 TYR A 87 113.677 11.676 11.479 1.00 0.00 H new ATOM 0 HB3 TYR A 87 113.219 13.336 11.804 1.00 0.00 H new ATOM 0 HD1 TYR A 87 111.224 13.802 13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.946 9.893 12.875 1.00 0.00 H new ATOM 0 HE1 TYR A 87 110.135 13.093 15.415 1.00 0.00 H new ATOM 0 HE2 TYR A 87 111.854 9.180 14.986 1.00 0.00 H new ATOM 0 HH TYR A 87 110.543 9.760 16.698 1.00 0.00 H new ATOM 1285 N GLY A 88 112.517 14.071 8.901 1.00 0.00 N ATOM 1286 CA GLY A 88 113.227 14.655 7.767 1.00 0.00 C ATOM 1287 C GLY A 88 114.393 15.523 8.232 1.00 0.00 C ATOM 1288 O GLY A 88 114.320 16.162 9.282 1.00 0.00 O ATOM 0 H GLY A 88 111.907 14.720 9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.598 13.861 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.538 15.255 7.173 1.00 0.00 H new ATOM 1292 N LYS A 89 115.469 15.535 7.449 1.00 0.00 N ATOM 1293 CA LYS A 89 116.633 16.352 7.773 1.00 0.00 C ATOM 1294 C LYS A 89 117.162 17.039 6.517 1.00 0.00 C ATOM 1295 O LYS A 89 117.144 16.452 5.434 1.00 0.00 O ATOM 1296 CB LYS A 89 117.731 15.482 8.391 1.00 0.00 C ATOM 1297 CG LYS A 89 118.112 14.362 7.420 1.00 0.00 C ATOM 1298 CD LYS A 89 119.004 13.345 8.135 1.00 0.00 C ATOM 1299 CE LYS A 89 120.337 13.999 8.504 1.00 0.00 C ATOM 1300 NZ LYS A 89 120.205 14.693 9.815 1.00 0.00 N ATOM 0 H LYS A 89 115.558 14.991 6.591 1.00 0.00 H new ATOM 0 HA LYS A 89 116.335 17.114 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 89 118.606 16.091 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.384 15.057 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 89 117.214 13.872 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 89 118.634 14.776 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 89 118.507 12.978 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 89 119.177 12.482 7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 89 121.122 13.244 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 89 120.631 14.710 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 120.321 15.717 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.265 14.502 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 120.937 14.345 10.467 1.00 0.00 H new ATOM 1314 N PHE A 90 117.622 18.278 6.662 1.00 0.00 N ATOM 1315 CA PHE A 90 118.129 19.033 5.520 1.00 0.00 C ATOM 1316 C PHE A 90 119.655 19.029 5.494 1.00 0.00 C ATOM 1317 O PHE A 90 120.305 19.331 6.494 1.00 0.00 O ATOM 1318 CB PHE A 90 117.627 20.477 5.590 1.00 0.00 C ATOM 1319 CG PHE A 90 118.000 21.301 4.379 1.00 0.00 C ATOM 1320 CD1 PHE A 90 117.144 21.350 3.272 1.00 0.00 C ATOM 1321 CD2 PHE A 90 119.205 22.016 4.364 1.00 0.00 C ATOM 1322 CE1 PHE A 90 117.491 22.113 2.152 1.00 0.00 C ATOM 1323 CE2 PHE A 90 119.551 22.779 3.244 1.00 0.00 C ATOM 1324 CZ PHE A 90 118.695 22.828 2.137 1.00 0.00 C ATOM 0 H PHE A 90 117.654 18.778 7.551 1.00 0.00 H new ATOM 0 HA PHE A 90 117.765 18.557 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 90 116.542 20.472 5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 90 118.033 20.952 6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 90 116.215 20.799 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 90 119.866 21.978 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 90 116.830 22.151 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 90 120.479 23.331 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 90 118.963 23.417 1.272 1.00 0.00 H new ATOM 1334 N GLN A 91 120.217 18.681 4.339 1.00 0.00 N ATOM 1335 CA GLN A 91 121.666 18.678 4.159 1.00 0.00 C ATOM 1336 C GLN A 91 122.047 19.484 2.922 1.00 0.00 C ATOM 1337 O GLN A 91 121.294 19.532 1.949 1.00 0.00 O ATOM 1338 CB GLN A 91 122.171 17.240 4.008 1.00 0.00 C ATOM 1339 CG GLN A 91 121.917 16.469 5.306 1.00 0.00 C ATOM 1340 CD GLN A 91 122.336 15.009 5.150 1.00 0.00 C ATOM 1341 OE1 GLN A 91 122.467 14.508 4.033 1.00 0.00 O ATOM 1342 NE2 GLN A 91 122.556 14.289 6.217 1.00 0.00 N ATOM 0 H GLN A 91 119.690 18.397 3.513 1.00 0.00 H new ATOM 0 HA GLN A 91 122.126 19.133 5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.663 16.751 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 91 123.236 17.240 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 91 122.473 16.928 6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 91 120.861 16.525 5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 91 122.448 14.703 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 91 122.836 13.313 6.125 1.00 0.00 H new ATOM 1351 N THR A 92 123.217 20.118 2.960 1.00 0.00 N ATOM 1352 CA THR A 92 123.677 20.927 1.834 1.00 0.00 C ATOM 1353 C THR A 92 124.825 20.233 1.107 1.00 0.00 C ATOM 1354 O THR A 92 125.595 19.485 1.709 1.00 0.00 O ATOM 1355 CB THR A 92 124.146 22.298 2.329 1.00 0.00 C ATOM 1356 OG1 THR A 92 125.262 22.130 3.193 1.00 0.00 O ATOM 1357 CG2 THR A 92 123.014 22.997 3.082 1.00 0.00 C ATOM 0 H THR A 92 123.859 20.088 3.752 1.00 0.00 H new ATOM 0 HA THR A 92 122.844 21.054 1.142 1.00 0.00 H new ATOM 0 HB THR A 92 124.434 22.910 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 92 125.565 23.006 3.510 1.00 0.00 H new ATOM 0 HG21 THR A 92 123.356 23.971 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 92 122.161 23.129 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 92 122.716 22.390 3.937 1.00 0.00 H new ATOM 1365 N THR A 93 124.931 20.490 -0.194 1.00 0.00 N ATOM 1366 CA THR A 93 125.986 19.887 -1.007 1.00 0.00 C ATOM 1367 C THR A 93 127.317 20.630 -0.870 1.00 0.00 C ATOM 1368 O THR A 93 128.381 20.035 -1.045 1.00 0.00 O ATOM 1369 CB THR A 93 125.564 19.873 -2.478 1.00 0.00 C ATOM 1370 OG1 THR A 93 125.387 21.209 -2.930 1.00 0.00 O ATOM 1371 CG2 THR A 93 124.253 19.100 -2.634 1.00 0.00 C ATOM 0 H THR A 93 124.303 21.109 -0.707 1.00 0.00 H new ATOM 0 HA THR A 93 126.132 18.869 -0.646 1.00 0.00 H new ATOM 0 HB THR A 93 126.338 19.386 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 93 125.118 21.203 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 93 123.957 19.093 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 93 124.392 18.075 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 93 123.475 19.580 -2.041 1.00 0.00 H new ATOM 1379 N GLU A 94 127.266 21.925 -0.562 1.00 0.00 N ATOM 1380 CA GLU A 94 128.478 22.732 -0.481 1.00 0.00 C ATOM 1381 C GLU A 94 129.447 22.178 0.561 1.00 0.00 C ATOM 1382 O GLU A 94 130.662 22.216 0.369 1.00 0.00 O ATOM 1383 CB GLU A 94 128.118 24.175 -0.123 1.00 0.00 C ATOM 1384 CG GLU A 94 127.263 24.782 -1.242 1.00 0.00 C ATOM 1385 CD GLU A 94 126.942 26.256 -0.978 1.00 0.00 C ATOM 1386 OE1 GLU A 94 127.196 26.736 0.118 1.00 0.00 O ATOM 1387 OE2 GLU A 94 126.437 26.894 -1.887 1.00 0.00 O ATOM 0 H GLU A 94 126.404 22.433 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 94 128.967 22.701 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 94 127.573 24.202 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 94 129.025 24.763 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 127.789 24.689 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 94 126.334 24.219 -1.336 1.00 0.00 H new ATOM 1394 N TYR A 95 128.908 21.663 1.663 1.00 0.00 N ATOM 1395 CA TYR A 95 129.748 21.117 2.724 1.00 0.00 C ATOM 1396 C TYR A 95 129.101 19.876 3.343 1.00 0.00 C ATOM 1397 O TYR A 95 127.882 19.713 3.250 1.00 0.00 O ATOM 1398 CB TYR A 95 129.965 22.173 3.808 1.00 0.00 C ATOM 1399 CG TYR A 95 130.535 23.468 3.281 1.00 0.00 C ATOM 1400 CD1 TYR A 95 129.696 24.398 2.652 1.00 0.00 C ATOM 1401 CD2 TYR A 95 131.901 23.742 3.422 1.00 0.00 C ATOM 1402 CE1 TYR A 95 130.225 25.598 2.163 1.00 0.00 C ATOM 1403 CE2 TYR A 95 132.429 24.943 2.934 1.00 0.00 C ATOM 1404 CZ TYR A 95 131.592 25.870 2.304 1.00 0.00 C ATOM 1405 OH TYR A 95 132.113 27.056 1.821 1.00 0.00 O ATOM 0 H TYR A 95 127.905 21.612 1.843 1.00 0.00 H new ATOM 0 HA TYR A 95 130.707 20.833 2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 95 129.014 22.377 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 95 130.637 21.771 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 95 128.642 24.189 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 95 132.548 23.026 3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 95 129.579 26.314 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 95 133.482 25.154 3.044 1.00 0.00 H new ATOM 0 HH TYR A 95 133.076 27.088 2.001 1.00 0.00 H new ATOM 1415 N PRO A 96 129.867 19.003 3.964 1.00 0.00 N ATOM 1416 CA PRO A 96 129.288 17.801 4.636 1.00 0.00 C ATOM 1417 C PRO A 96 128.589 18.171 5.940 1.00 0.00 C ATOM 1418 O PRO A 96 127.487 17.699 6.221 1.00 0.00 O ATOM 1419 CB PRO A 96 130.494 16.898 4.898 1.00 0.00 C ATOM 1420 CG PRO A 96 131.660 17.822 4.994 1.00 0.00 C ATOM 1421 CD PRO A 96 131.340 19.025 4.111 1.00 0.00 C ATOM 0 HA PRO A 96 128.527 17.317 4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 96 130.367 16.328 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 96 130.628 16.177 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 96 131.824 18.132 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 96 132.573 17.329 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 96 131.678 19.954 4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 96 131.836 18.949 3.143 1.00 0.00 H new ATOM 1429 N THR A 97 129.239 19.020 6.729 1.00 0.00 N ATOM 1430 CA THR A 97 128.651 19.491 7.977 1.00 0.00 C ATOM 1431 C THR A 97 127.720 20.668 7.707 1.00 0.00 C ATOM 1432 O THR A 97 128.032 21.542 6.899 1.00 0.00 O ATOM 1433 CB THR A 97 129.756 19.919 8.947 1.00 0.00 C ATOM 1434 OG1 THR A 97 130.676 18.852 9.114 1.00 0.00 O ATOM 1435 CG2 THR A 97 129.138 20.279 10.300 1.00 0.00 C ATOM 0 H THR A 97 130.167 19.394 6.528 1.00 0.00 H new ATOM 0 HA THR A 97 128.077 18.679 8.423 1.00 0.00 H new ATOM 0 HB THR A 97 130.277 20.788 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 97 131.385 19.125 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 97 129.925 20.584 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 97 128.431 21.099 10.171 1.00 0.00 H new ATOM 0 HG23 THR A 97 128.617 19.411 10.704 1.00 0.00 H new ATOM 1443 N TYR A 98 126.576 20.685 8.385 1.00 0.00 N ATOM 1444 CA TYR A 98 125.588 21.744 8.190 1.00 0.00 C ATOM 1445 C TYR A 98 125.446 22.592 9.451 1.00 0.00 C ATOM 1446 O TYR A 98 125.278 22.068 10.551 1.00 0.00 O ATOM 1447 CB TYR A 98 124.237 21.122 7.831 1.00 0.00 C ATOM 1448 CG TYR A 98 123.649 20.275 8.937 1.00 0.00 C ATOM 1449 CD1 TYR A 98 123.944 18.909 9.002 1.00 0.00 C ATOM 1450 CD2 TYR A 98 122.809 20.858 9.893 1.00 0.00 C ATOM 1451 CE1 TYR A 98 123.397 18.124 10.027 1.00 0.00 C ATOM 1452 CE2 TYR A 98 122.264 20.074 10.917 1.00 0.00 C ATOM 1453 CZ TYR A 98 122.559 18.707 10.984 1.00 0.00 C ATOM 1454 OH TYR A 98 122.022 17.933 11.992 1.00 0.00 O ATOM 0 H TYR A 98 126.310 19.980 9.073 1.00 0.00 H new ATOM 0 HA TYR A 98 125.924 22.389 7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 98 123.535 21.917 7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 98 124.355 20.508 6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 98 124.592 18.460 8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 98 122.581 21.912 9.841 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.623 17.069 10.078 1.00 0.00 H new ATOM 0 HE2 TYR A 98 121.616 20.524 11.655 1.00 0.00 H new ATOM 0 HH TYR A 98 121.464 18.492 12.572 1.00 0.00 H new ATOM 1464 N LYS A 99 125.526 23.908 9.280 1.00 0.00 N ATOM 1465 CA LYS A 99 125.369 24.824 10.404 1.00 0.00 C ATOM 1466 C LYS A 99 123.956 24.741 10.975 1.00 0.00 C ATOM 1467 O LYS A 99 123.767 24.761 12.192 1.00 0.00 O ATOM 1468 CB LYS A 99 125.656 26.258 9.951 1.00 0.00 C ATOM 1469 CG LYS A 99 127.087 26.350 9.421 1.00 0.00 C ATOM 1470 CD LYS A 99 127.467 27.817 9.205 1.00 0.00 C ATOM 1471 CE LYS A 99 126.593 28.420 8.102 1.00 0.00 C ATOM 1472 NZ LYS A 99 127.252 29.642 7.560 1.00 0.00 N ATOM 0 H LYS A 99 125.697 24.361 8.382 1.00 0.00 H new ATOM 0 HA LYS A 99 126.077 24.538 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 99 124.950 26.553 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 99 125.521 26.948 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 99 127.776 25.886 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 99 127.173 25.801 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 99 127.337 28.376 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 99 128.519 27.893 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 99 126.440 27.692 7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 99 125.609 28.670 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 126.659 30.053 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 127.376 30.337 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 128.181 29.390 7.167 1.00 0.00 H new ATOM 1486 N HIS A 100 122.967 24.646 10.091 1.00 0.00 N ATOM 1487 CA HIS A 100 121.573 24.589 10.517 1.00 0.00 C ATOM 1488 C HIS A 100 120.788 23.582 9.682 1.00 0.00 C ATOM 1489 O HIS A 100 121.236 23.161 8.616 1.00 0.00 O ATOM 1490 CB HIS A 100 120.933 25.971 10.384 1.00 0.00 C ATOM 1491 CG HIS A 100 121.636 27.037 11.181 1.00 0.00 C ATOM 1492 ND1 HIS A 100 121.574 27.088 12.564 1.00 0.00 N ATOM 1493 CD2 HIS A 100 122.423 28.098 10.801 1.00 0.00 C ATOM 1494 CE1 HIS A 100 122.303 28.144 12.965 1.00 0.00 C ATOM 1495 NE2 HIS A 100 122.843 28.796 11.932 1.00 0.00 N ATOM 0 H HIS A 100 123.104 24.607 9.081 1.00 0.00 H new ATOM 0 HA HIS A 100 121.548 24.271 11.559 1.00 0.00 H new ATOM 0 HB2 HIS A 100 120.926 26.260 9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 100 119.893 25.914 10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 100 122.677 28.352 9.782 1.00 0.00 H new ATOM 0 HE1 HIS A 100 122.436 28.431 13.998 1.00 0.00 H new ATOM 0 HE2 HIS A 100 123.435 29.626 11.964 1.00 0.00 H new ATOM 1503 N ASP A 101 119.612 23.205 10.176 1.00 0.00 N ATOM 1504 CA ASP A 101 118.749 22.275 9.454 1.00 0.00 C ATOM 1505 C ASP A 101 117.308 22.389 9.941 1.00 0.00 C ATOM 1506 O ASP A 101 117.028 23.066 10.930 1.00 0.00 O ATOM 1507 CB ASP A 101 119.244 20.836 9.636 1.00 0.00 C ATOM 1508 CG ASP A 101 119.182 20.417 11.104 1.00 0.00 C ATOM 1509 OD1 ASP A 101 119.288 21.280 11.960 1.00 0.00 O ATOM 1510 OD2 ASP A 101 119.028 19.231 11.350 1.00 0.00 O ATOM 0 H ASP A 101 119.236 23.527 11.068 1.00 0.00 H new ATOM 0 HA ASP A 101 118.784 22.533 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 101 118.636 20.160 9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 101 120.268 20.751 9.273 1.00 0.00 H new ATOM 1515 N THR A 102 116.397 21.721 9.237 1.00 0.00 N ATOM 1516 CA THR A 102 114.985 21.728 9.613 1.00 0.00 C ATOM 1517 C THR A 102 114.481 20.298 9.774 1.00 0.00 C ATOM 1518 O THR A 102 114.781 19.433 8.950 1.00 0.00 O ATOM 1519 CB THR A 102 114.162 22.446 8.539 1.00 0.00 C ATOM 1520 OG1 THR A 102 114.702 23.742 8.323 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.709 22.566 8.999 1.00 0.00 C ATOM 0 H THR A 102 116.610 21.170 8.406 1.00 0.00 H new ATOM 0 HA THR A 102 114.876 22.255 10.561 1.00 0.00 H new ATOM 0 HB THR A 102 114.198 21.876 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 102 114.179 24.204 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 102 112.126 23.077 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 102 112.297 21.571 9.165 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.667 23.136 9.927 1.00 0.00 H new ATOM 1529 N SER A 103 113.718 20.048 10.835 1.00 0.00 N ATOM 1530 CA SER A 103 113.222 18.700 11.108 1.00 0.00 C ATOM 1531 C SER A 103 111.710 18.691 11.313 1.00 0.00 C ATOM 1532 O SER A 103 111.149 19.577 11.958 1.00 0.00 O ATOM 1533 CB SER A 103 113.904 18.147 12.360 1.00 0.00 C ATOM 1534 OG SER A 103 115.310 18.123 12.152 1.00 0.00 O ATOM 0 H SER A 103 113.431 20.753 11.514 1.00 0.00 H new ATOM 0 HA SER A 103 113.454 18.076 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.662 18.766 13.224 1.00 0.00 H new ATOM 0 HB3 SER A 103 113.539 17.143 12.575 1.00 0.00 H new ATOM 0 HG SER A 103 115.753 17.771 12.952 1.00 0.00 H new ATOM 1540 N ASP A 104 111.069 17.664 10.766 1.00 0.00 N ATOM 1541 CA ASP A 104 109.640 17.442 10.962 1.00 0.00 C ATOM 1542 C ASP A 104 109.392 15.947 11.127 1.00 0.00 C ATOM 1543 O ASP A 104 110.185 15.137 10.652 1.00 0.00 O ATOM 1544 CB ASP A 104 108.850 17.963 9.758 1.00 0.00 C ATOM 1545 CG ASP A 104 108.989 19.478 9.651 1.00 0.00 C ATOM 1546 OD1 ASP A 104 109.057 20.125 10.683 1.00 0.00 O ATOM 1547 OD2 ASP A 104 109.029 19.971 8.535 1.00 0.00 O ATOM 0 H ASP A 104 111.522 16.965 10.177 1.00 0.00 H new ATOM 0 HA ASP A 104 109.310 17.977 11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 104 109.213 17.492 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 104 107.799 17.693 9.860 1.00 0.00 H new ATOM 1552 N TYR A 105 108.297 15.579 11.792 1.00 0.00 N ATOM 1553 CA TYR A 105 108.003 14.166 12.041 1.00 0.00 C ATOM 1554 C TYR A 105 106.596 13.796 11.575 1.00 0.00 C ATOM 1555 O TYR A 105 105.677 14.612 11.626 1.00 0.00 O ATOM 1556 CB TYR A 105 108.158 13.866 13.536 1.00 0.00 C ATOM 1557 CG TYR A 105 107.110 14.516 14.410 1.00 0.00 C ATOM 1558 CD1 TYR A 105 105.917 13.841 14.693 1.00 0.00 C ATOM 1559 CD2 TYR A 105 107.333 15.793 14.939 1.00 0.00 C ATOM 1560 CE1 TYR A 105 104.946 14.443 15.502 1.00 0.00 C ATOM 1561 CE2 TYR A 105 106.362 16.397 15.748 1.00 0.00 C ATOM 1562 CZ TYR A 105 105.169 15.720 16.030 1.00 0.00 C ATOM 1563 OH TYR A 105 104.212 16.313 16.830 1.00 0.00 O ATOM 0 H TYR A 105 107.606 16.230 12.164 1.00 0.00 H new ATOM 0 HA TYR A 105 108.710 13.564 11.470 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.120 12.787 13.684 1.00 0.00 H new ATOM 0 HB3 TYR A 105 109.144 14.198 13.862 1.00 0.00 H new ATOM 0 HD1 TYR A 105 105.745 12.855 14.287 1.00 0.00 H new ATOM 0 HD2 TYR A 105 108.255 16.313 14.723 1.00 0.00 H new ATOM 0 HE1 TYR A 105 104.025 13.922 15.719 1.00 0.00 H new ATOM 0 HE2 TYR A 105 106.533 17.383 16.154 1.00 0.00 H new ATOM 0 HH TYR A 105 104.525 17.197 17.114 1.00 0.00 H new ATOM 1573 N GLY A 106 106.443 12.554 11.121 1.00 0.00 N ATOM 1574 CA GLY A 106 105.137 12.049 10.716 1.00 0.00 C ATOM 1575 C GLY A 106 104.991 10.591 11.129 1.00 0.00 C ATOM 1576 O GLY A 106 105.979 9.939 11.461 1.00 0.00 O ATOM 0 H GLY A 106 107.205 11.883 11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.349 12.646 11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.021 12.143 9.636 1.00 0.00 H new ATOM 1580 N PHE A 107 103.766 10.073 11.090 1.00 0.00 N ATOM 1581 CA PHE A 107 103.527 8.682 11.469 1.00 0.00 C ATOM 1582 C PHE A 107 103.264 7.840 10.226 1.00 0.00 C ATOM 1583 O PHE A 107 102.410 8.184 9.409 1.00 0.00 O ATOM 1584 CB PHE A 107 102.324 8.598 12.409 1.00 0.00 C ATOM 1585 CG PHE A 107 102.531 9.330 13.713 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.182 8.693 14.776 1.00 0.00 C ATOM 1587 CD2 PHE A 107 102.070 10.644 13.860 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.374 9.373 15.987 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.261 11.323 15.068 1.00 0.00 C ATOM 1590 CZ PHE A 107 102.914 10.687 16.133 1.00 0.00 C ATOM 0 H PHE A 107 102.933 10.587 10.804 1.00 0.00 H new ATOM 0 HA PHE A 107 104.411 8.299 11.980 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.449 9.009 11.905 1.00 0.00 H new ATOM 0 HB3 PHE A 107 102.109 7.550 12.619 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.536 7.679 14.663 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.566 11.134 13.040 1.00 0.00 H new ATOM 0 HE1 PHE A 107 103.877 8.883 16.807 1.00 0.00 H new ATOM 0 HE2 PHE A 107 101.906 12.337 15.180 1.00 0.00 H new ATOM 0 HZ PHE A 107 103.062 11.211 17.066 1.00 0.00 H new ATOM 1600 N SER A 108 103.996 6.737 10.082 1.00 0.00 N ATOM 1601 CA SER A 108 103.820 5.864 8.922 1.00 0.00 C ATOM 1602 C SER A 108 103.266 4.507 9.344 1.00 0.00 C ATOM 1603 O SER A 108 103.577 4.016 10.425 1.00 0.00 O ATOM 1604 CB SER A 108 105.160 5.667 8.216 1.00 0.00 C ATOM 1605 OG SER A 108 106.049 4.979 9.085 1.00 0.00 O ATOM 0 H SER A 108 104.708 6.429 10.744 1.00 0.00 H new ATOM 0 HA SER A 108 103.110 6.336 8.242 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.020 5.100 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 108 105.582 6.632 7.934 1.00 0.00 H new ATOM 0 HG SER A 108 106.910 4.849 8.636 1.00 0.00 H new ATOM 1611 N TYR A 109 102.446 3.912 8.484 1.00 0.00 N ATOM 1612 CA TYR A 109 101.909 2.580 8.746 1.00 0.00 C ATOM 1613 C TYR A 109 101.957 1.751 7.470 1.00 0.00 C ATOM 1614 O TYR A 109 101.738 2.286 6.383 1.00 0.00 O ATOM 1615 CB TYR A 109 100.467 2.683 9.242 1.00 0.00 C ATOM 1616 CG TYR A 109 99.871 1.353 9.638 1.00 0.00 C ATOM 1617 CD1 TYR A 109 100.085 0.846 10.927 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.108 0.625 8.718 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.534 -0.388 11.294 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.556 -0.609 9.087 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.769 -1.115 10.374 1.00 0.00 C ATOM 1622 OH TYR A 109 98.225 -2.332 10.735 1.00 0.00 O ATOM 0 H TYR A 109 102.140 4.327 7.604 1.00 0.00 H new ATOM 0 HA TYR A 109 102.512 2.097 9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.433 3.357 10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.853 3.129 8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 109 100.675 1.407 11.637 1.00 0.00 H new ATOM 0 HD2 TYR A 109 98.945 1.014 7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 109 99.699 -0.779 12.287 1.00 0.00 H new ATOM 0 HE2 TYR A 109 97.966 -1.170 8.378 1.00 0.00 H new ATOM 0 HH TYR A 109 97.723 -2.703 9.980 1.00 0.00 H new ATOM 1632 N GLY A 110 102.246 0.458 7.594 1.00 0.00 N ATOM 1633 CA GLY A 110 102.361 -0.389 6.411 1.00 0.00 C ATOM 1634 C GLY A 110 101.919 -1.819 6.696 1.00 0.00 C ATOM 1635 O GLY A 110 101.883 -2.252 7.845 1.00 0.00 O ATOM 0 H GLY A 110 102.402 -0.018 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 110 101.754 0.026 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 110 103.394 -0.390 6.063 1.00 0.00 H new ATOM 1639 N ALA A 111 101.593 -2.542 5.631 1.00 0.00 N ATOM 1640 CA ALA A 111 101.211 -3.945 5.754 1.00 0.00 C ATOM 1641 C ALA A 111 101.620 -4.712 4.503 1.00 0.00 C ATOM 1642 O ALA A 111 101.635 -4.147 3.409 1.00 0.00 O ATOM 1643 CB ALA A 111 99.698 -4.062 5.959 1.00 0.00 C ATOM 0 H ALA A 111 101.585 -2.183 4.676 1.00 0.00 H new ATOM 0 HA ALA A 111 101.723 -4.372 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.423 -5.113 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 111 99.412 -3.533 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 111 99.180 -3.624 5.106 1.00 0.00 H new ATOM 1649 N GLY A 112 101.940 -5.997 4.659 1.00 0.00 N ATOM 1650 CA GLY A 112 102.388 -6.790 3.518 1.00 0.00 C ATOM 1651 C GLY A 112 102.013 -8.264 3.640 1.00 0.00 C ATOM 1652 O GLY A 112 101.724 -8.758 4.732 1.00 0.00 O ATOM 0 H GLY A 112 101.899 -6.501 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.953 -6.383 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.470 -6.702 3.422 1.00 0.00 H new ATOM 1656 N LEU A 113 102.045 -8.950 2.497 1.00 0.00 N ATOM 1657 CA LEU A 113 101.741 -10.379 2.426 1.00 0.00 C ATOM 1658 C LEU A 113 103.025 -11.153 2.152 1.00 0.00 C ATOM 1659 O LEU A 113 103.900 -10.644 1.451 1.00 0.00 O ATOM 1660 CB LEU A 113 100.732 -10.654 1.307 1.00 0.00 C ATOM 1661 CG LEU A 113 99.472 -9.803 1.501 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.516 -10.035 0.329 1.00 0.00 C ATOM 1663 CD2 LEU A 113 98.775 -10.203 2.804 1.00 0.00 C ATOM 0 H LEU A 113 102.282 -8.532 1.597 1.00 0.00 H new ATOM 0 HA LEU A 113 101.310 -10.698 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 113 101.183 -10.432 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.467 -11.711 1.300 1.00 0.00 H new ATOM 0 HG LEU A 113 99.752 -8.751 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 113 97.619 -9.430 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 113 99.006 -9.751 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 113 98.240 -11.089 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 113 97.880 -9.596 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.496 -11.256 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 113 99.452 -10.042 3.643 1.00 0.00 H new ATOM 1675 N GLN A 114 103.143 -12.378 2.675 1.00 0.00 N ATOM 1676 CA GLN A 114 104.386 -13.138 2.520 1.00 0.00 C ATOM 1677 C GLN A 114 104.145 -14.476 1.828 1.00 0.00 C ATOM 1678 O GLN A 114 103.229 -15.218 2.187 1.00 0.00 O ATOM 1679 CB GLN A 114 105.013 -13.386 3.894 1.00 0.00 C ATOM 1680 CG GLN A 114 106.402 -14.016 3.717 1.00 0.00 C ATOM 1681 CD GLN A 114 107.064 -14.399 5.052 1.00 0.00 C ATOM 1682 OE1 GLN A 114 108.113 -15.046 5.035 1.00 0.00 O ATOM 1683 NE2 GLN A 114 106.558 -14.043 6.206 1.00 0.00 N ATOM 0 H GLN A 114 102.410 -12.856 3.199 1.00 0.00 H new ATOM 0 HA GLN A 114 105.061 -12.550 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.095 -12.448 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.375 -14.045 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.314 -14.905 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 114 107.047 -13.316 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 114 105.691 -13.507 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 114 107.031 -14.301 7.072 1.00 0.00 H new ATOM 1692 N PHE A 115 104.978 -14.777 0.835 1.00 0.00 N ATOM 1693 CA PHE A 115 104.970 -16.086 0.198 1.00 0.00 C ATOM 1694 C PHE A 115 106.386 -16.638 0.276 1.00 0.00 C ATOM 1695 O PHE A 115 107.284 -16.114 -0.382 1.00 0.00 O ATOM 1696 CB PHE A 115 104.543 -15.955 -1.266 1.00 0.00 C ATOM 1697 CG PHE A 115 104.483 -17.272 -2.006 1.00 0.00 C ATOM 1698 CD1 PHE A 115 105.651 -17.823 -2.545 1.00 0.00 C ATOM 1699 CD2 PHE A 115 103.261 -17.936 -2.160 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.597 -19.039 -3.237 1.00 0.00 C ATOM 1701 CE2 PHE A 115 103.205 -19.154 -2.849 1.00 0.00 C ATOM 1702 CZ PHE A 115 104.375 -19.706 -3.388 1.00 0.00 C ATOM 0 H PHE A 115 105.668 -14.129 0.455 1.00 0.00 H new ATOM 0 HA PHE A 115 104.267 -16.752 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.562 -15.481 -1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.239 -15.292 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.594 -17.310 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 115 102.359 -17.508 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 115 106.498 -19.463 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 115 102.262 -19.667 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.334 -20.645 -3.920 1.00 0.00 H new ATOM 1712 N ASN A 116 106.600 -17.669 1.093 1.00 0.00 N ATOM 1713 CA ASN A 116 107.966 -18.107 1.386 1.00 0.00 C ATOM 1714 C ASN A 116 108.229 -19.558 0.974 1.00 0.00 C ATOM 1715 O ASN A 116 107.517 -20.468 1.397 1.00 0.00 O ATOM 1716 CB ASN A 116 108.201 -17.992 2.894 1.00 0.00 C ATOM 1717 CG ASN A 116 107.183 -18.841 3.651 1.00 0.00 C ATOM 1718 OD1 ASN A 116 106.063 -18.395 3.897 1.00 0.00 O ATOM 1719 ND2 ASN A 116 107.510 -20.043 4.035 1.00 0.00 N ATOM 0 H ASN A 116 105.866 -18.206 1.554 1.00 0.00 H new ATOM 0 HA ASN A 116 108.640 -17.471 0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.212 -18.319 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.119 -16.950 3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 116 106.836 -20.618 4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 116 108.440 -20.409 3.829 1.00 0.00 H new ATOM 1726 N PRO A 117 109.231 -19.785 0.159 1.00 0.00 N ATOM 1727 CA PRO A 117 109.943 -21.084 0.084 1.00 0.00 C ATOM 1728 C PRO A 117 111.248 -20.992 0.874 1.00 0.00 C ATOM 1729 O PRO A 117 111.584 -19.925 1.387 1.00 0.00 O ATOM 1730 CB PRO A 117 110.202 -21.274 -1.417 1.00 0.00 C ATOM 1731 CG PRO A 117 109.923 -19.954 -2.063 1.00 0.00 C ATOM 1732 CD PRO A 117 109.705 -18.941 -0.940 1.00 0.00 C ATOM 0 HA PRO A 117 109.385 -21.920 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.231 -21.585 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.557 -22.051 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.756 -19.652 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.042 -20.016 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.625 -18.417 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.972 -18.182 -1.214 1.00 0.00 H new ATOM 1740 N MET A 118 111.976 -22.097 0.975 1.00 0.00 N ATOM 1741 CA MET A 118 113.168 -22.135 1.818 1.00 0.00 C ATOM 1742 C MET A 118 114.219 -21.111 1.382 1.00 0.00 C ATOM 1743 O MET A 118 114.476 -20.926 0.192 1.00 0.00 O ATOM 1744 CB MET A 118 113.780 -23.535 1.776 1.00 0.00 C ATOM 1745 CG MET A 118 112.781 -24.548 2.338 1.00 0.00 C ATOM 1746 SD MET A 118 113.587 -26.162 2.503 1.00 0.00 S ATOM 1747 CE MET A 118 114.632 -25.747 3.920 1.00 0.00 C ATOM 0 H MET A 118 111.767 -22.970 0.491 1.00 0.00 H new ATOM 0 HA MET A 118 112.859 -21.883 2.832 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.042 -23.798 0.751 1.00 0.00 H new ATOM 0 HB3 MET A 118 114.702 -23.558 2.357 1.00 0.00 H new ATOM 0 HG2 MET A 118 112.413 -24.212 3.308 1.00 0.00 H new ATOM 0 HG3 MET A 118 111.917 -24.627 1.679 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.660 -26.590 4.611 1.00 0.00 H new ATOM 0 HE2 MET A 118 115.642 -25.527 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 118 114.224 -24.874 4.429 1.00 0.00 H new ATOM 1757 N GLU A 119 114.817 -20.454 2.377 1.00 0.00 N ATOM 1758 CA GLU A 119 115.991 -19.598 2.183 1.00 0.00 C ATOM 1759 C GLU A 119 115.645 -18.326 1.372 1.00 0.00 C ATOM 1760 O GLU A 119 114.524 -17.830 1.475 1.00 0.00 O ATOM 1761 CB GLU A 119 117.111 -20.440 1.547 1.00 0.00 C ATOM 1762 CG GLU A 119 118.488 -19.908 1.981 1.00 0.00 C ATOM 1763 CD GLU A 119 119.633 -20.646 1.279 1.00 0.00 C ATOM 1764 OE1 GLU A 119 119.375 -21.557 0.505 1.00 0.00 O ATOM 1765 OE2 GLU A 119 120.770 -20.282 1.528 1.00 0.00 O ATOM 0 H GLU A 119 114.500 -20.500 3.345 1.00 0.00 H new ATOM 0 HA GLU A 119 116.346 -19.228 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 119 117.006 -21.483 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.027 -20.409 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.552 -18.843 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 119 118.595 -20.015 3.060 1.00 0.00 H new ATOM 1772 N ASN A 120 116.584 -17.795 0.577 1.00 0.00 N ATOM 1773 CA ASN A 120 116.448 -16.467 -0.032 1.00 0.00 C ATOM 1774 C ASN A 120 115.248 -16.332 -0.970 1.00 0.00 C ATOM 1775 O ASN A 120 114.894 -15.222 -1.365 1.00 0.00 O ATOM 1776 CB ASN A 120 117.717 -16.150 -0.825 1.00 0.00 C ATOM 1777 CG ASN A 120 118.934 -16.174 0.094 1.00 0.00 C ATOM 1778 OD1 ASN A 120 118.975 -15.454 1.091 1.00 0.00 O ATOM 1779 ND2 ASN A 120 119.930 -16.971 -0.180 1.00 0.00 N ATOM 0 H ASN A 120 117.454 -18.272 0.340 1.00 0.00 H new ATOM 0 HA ASN A 120 116.290 -15.768 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.844 -16.877 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.626 -15.170 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.745 -16.998 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 120 119.894 -17.567 -1.007 1.00 0.00 H new ATOM 1786 N VAL A 121 114.620 -17.445 -1.328 1.00 0.00 N ATOM 1787 CA VAL A 121 113.605 -17.443 -2.381 1.00 0.00 C ATOM 1788 C VAL A 121 112.245 -16.935 -1.880 1.00 0.00 C ATOM 1789 O VAL A 121 111.233 -17.162 -2.544 1.00 0.00 O ATOM 1790 CB VAL A 121 113.435 -18.838 -3.027 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.740 -18.683 -4.387 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.794 -19.527 -3.258 1.00 0.00 C ATOM 0 H VAL A 121 114.793 -18.359 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 121 113.969 -16.751 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 121 112.842 -19.449 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.618 -19.664 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.762 -18.224 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 121 113.347 -18.051 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.634 -20.504 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.405 -18.914 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.306 -19.651 -2.304 1.00 0.00 H new ATOM 1802 N ALA A 122 112.191 -16.243 -0.731 1.00 0.00 N ATOM 1803 CA ALA A 122 110.904 -15.817 -0.175 1.00 0.00 C ATOM 1804 C ALA A 122 110.692 -14.326 -0.415 1.00 0.00 C ATOM 1805 O ALA A 122 111.618 -13.531 -0.265 1.00 0.00 O ATOM 1806 CB ALA A 122 110.872 -16.101 1.328 1.00 0.00 C ATOM 0 H ALA A 122 113.007 -15.973 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 122 110.107 -16.373 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 122 109.913 -15.783 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.003 -17.169 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.676 -15.553 1.819 1.00 0.00 H new ATOM 1812 N LEU A 123 109.460 -13.955 -0.767 1.00 0.00 N ATOM 1813 CA LEU A 123 109.182 -12.610 -1.262 1.00 0.00 C ATOM 1814 C LEU A 123 107.963 -12.020 -0.561 1.00 0.00 C ATOM 1815 O LEU A 123 106.997 -12.727 -0.283 1.00 0.00 O ATOM 1816 CB LEU A 123 108.932 -12.679 -2.772 1.00 0.00 C ATOM 1817 CG LEU A 123 108.770 -11.275 -3.358 1.00 0.00 C ATOM 1818 CD1 LEU A 123 110.145 -10.619 -3.526 1.00 0.00 C ATOM 1819 CD2 LEU A 123 108.087 -11.378 -4.724 1.00 0.00 C ATOM 0 H LEU A 123 108.644 -14.565 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 123 110.038 -11.968 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 123 109.763 -13.189 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.036 -13.267 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 123 108.164 -10.669 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.023 -9.620 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 123 110.636 -10.549 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.756 -11.221 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 123 107.968 -10.381 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 123 108.698 -11.985 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 123 107.107 -11.841 -4.607 1.00 0.00 H new ATOM 1831 N ASP A 124 108.020 -10.726 -0.262 1.00 0.00 N ATOM 1832 CA ASP A 124 106.897 -10.046 0.379 1.00 0.00 C ATOM 1833 C ASP A 124 106.601 -8.719 -0.313 1.00 0.00 C ATOM 1834 O ASP A 124 107.514 -8.053 -0.803 1.00 0.00 O ATOM 1835 CB ASP A 124 107.212 -9.803 1.860 1.00 0.00 C ATOM 1836 CG ASP A 124 108.412 -8.872 2.021 1.00 0.00 C ATOM 1837 OD1 ASP A 124 109.256 -8.853 1.139 1.00 0.00 O ATOM 1838 OD2 ASP A 124 108.471 -8.192 3.032 1.00 0.00 O ATOM 0 H ASP A 124 108.826 -10.130 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 124 106.016 -10.682 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 124 106.342 -9.369 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 124 107.417 -10.754 2.352 1.00 0.00 H new ATOM 1843 N PHE A 125 105.322 -8.354 -0.346 1.00 0.00 N ATOM 1844 CA PHE A 125 104.901 -7.082 -0.934 1.00 0.00 C ATOM 1845 C PHE A 125 104.173 -6.260 0.121 1.00 0.00 C ATOM 1846 O PHE A 125 103.315 -6.794 0.821 1.00 0.00 O ATOM 1847 CB PHE A 125 103.954 -7.321 -2.111 1.00 0.00 C ATOM 1848 CG PHE A 125 104.584 -8.057 -3.269 1.00 0.00 C ATOM 1849 CD1 PHE A 125 105.377 -7.365 -4.193 1.00 0.00 C ATOM 1850 CD2 PHE A 125 104.365 -9.431 -3.428 1.00 0.00 C ATOM 1851 CE1 PHE A 125 105.949 -8.044 -5.274 1.00 0.00 C ATOM 1852 CE2 PHE A 125 104.938 -10.112 -4.507 1.00 0.00 C ATOM 1853 CZ PHE A 125 105.730 -9.419 -5.431 1.00 0.00 C ATOM 0 H PHE A 125 104.559 -8.919 0.027 1.00 0.00 H new ATOM 0 HA PHE A 125 105.785 -6.552 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.091 -7.888 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.581 -6.360 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.547 -6.306 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 125 103.753 -9.965 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 125 106.559 -7.509 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 125 104.770 -11.172 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 125 106.172 -9.944 -6.265 1.00 0.00 H new ATOM 1863 N SER A 126 104.502 -4.973 0.232 1.00 0.00 N ATOM 1864 CA SER A 126 103.885 -4.135 1.257 1.00 0.00 C ATOM 1865 C SER A 126 103.570 -2.745 0.721 1.00 0.00 C ATOM 1866 O SER A 126 104.209 -2.273 -0.216 1.00 0.00 O ATOM 1867 CB SER A 126 104.815 -4.019 2.465 1.00 0.00 C ATOM 1868 OG SER A 126 104.140 -3.328 3.508 1.00 0.00 O ATOM 0 H SER A 126 105.179 -4.496 -0.363 1.00 0.00 H new ATOM 0 HA SER A 126 102.949 -4.607 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 126 105.116 -5.010 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 126 105.725 -3.487 2.189 1.00 0.00 H new ATOM 0 HG SER A 126 103.183 -3.277 3.301 1.00 0.00 H new ATOM 1874 N TYR A 127 102.575 -2.102 1.325 1.00 0.00 N ATOM 1875 CA TYR A 127 102.240 -0.720 0.998 1.00 0.00 C ATOM 1876 C TYR A 127 102.372 0.141 2.250 1.00 0.00 C ATOM 1877 O TYR A 127 102.093 -0.325 3.356 1.00 0.00 O ATOM 1878 CB TYR A 127 100.817 -0.643 0.435 1.00 0.00 C ATOM 1879 CG TYR A 127 99.731 -0.949 1.442 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.283 -2.264 1.611 1.00 0.00 C ATOM 1881 CD2 TYR A 127 99.174 0.084 2.206 1.00 0.00 C ATOM 1882 CE1 TYR A 127 98.278 -2.547 2.545 1.00 0.00 C ATOM 1883 CE2 TYR A 127 98.170 -0.199 3.140 1.00 0.00 C ATOM 1884 CZ TYR A 127 97.721 -1.513 3.308 1.00 0.00 C ATOM 1885 OH TYR A 127 96.730 -1.791 4.229 1.00 0.00 O ATOM 0 H TYR A 127 101.985 -2.518 2.046 1.00 0.00 H new ATOM 0 HA TYR A 127 102.927 -0.347 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.652 0.356 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.730 -1.340 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.712 -3.061 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.519 1.099 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 127 97.933 -3.562 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.742 0.597 3.731 1.00 0.00 H new ATOM 0 HH TYR A 127 96.455 -0.962 4.673 1.00 0.00 H new ATOM 1895 N GLU A 128 102.799 1.390 2.072 1.00 0.00 N ATOM 1896 CA GLU A 128 103.020 2.292 3.199 1.00 0.00 C ATOM 1897 C GLU A 128 102.266 3.601 2.990 1.00 0.00 C ATOM 1898 O GLU A 128 102.217 4.132 1.881 1.00 0.00 O ATOM 1899 CB GLU A 128 104.517 2.577 3.345 1.00 0.00 C ATOM 1900 CG GLU A 128 104.777 3.358 4.638 1.00 0.00 C ATOM 1901 CD GLU A 128 106.254 3.747 4.784 1.00 0.00 C ATOM 1902 OE1 GLU A 128 107.041 3.452 3.896 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.578 4.344 5.795 1.00 0.00 O ATOM 0 H GLU A 128 102.998 1.799 1.159 1.00 0.00 H new ATOM 0 HA GLU A 128 102.649 1.816 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 128 105.075 1.640 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.872 3.148 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.162 4.258 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.474 2.755 5.494 1.00 0.00 H new ATOM 1910 N GLN A 129 101.681 4.118 4.067 1.00 0.00 N ATOM 1911 CA GLN A 129 100.911 5.354 4.001 1.00 0.00 C ATOM 1912 C GLN A 129 101.381 6.350 5.052 1.00 0.00 C ATOM 1913 O GLN A 129 101.633 5.985 6.201 1.00 0.00 O ATOM 1914 CB GLN A 129 99.426 5.052 4.219 1.00 0.00 C ATOM 1915 CG GLN A 129 98.853 4.336 2.995 1.00 0.00 C ATOM 1916 CD GLN A 129 98.898 5.264 1.785 1.00 0.00 C ATOM 1917 OE1 GLN A 129 98.443 6.405 1.864 1.00 0.00 O ATOM 1918 NE2 GLN A 129 99.423 4.847 0.666 1.00 0.00 N ATOM 0 H GLN A 129 101.726 3.699 4.996 1.00 0.00 H new ATOM 0 HA GLN A 129 101.060 5.793 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 129 99.299 4.432 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.880 5.979 4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 129 99.424 3.430 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 129 97.826 4.028 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.800 3.901 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 129 99.457 5.466 -0.144 1.00 0.00 H new ATOM 1927 N SER A 130 101.513 7.601 4.627 1.00 0.00 N ATOM 1928 CA SER A 130 101.758 8.715 5.534 1.00 0.00 C ATOM 1929 C SER A 130 100.532 9.613 5.519 1.00 0.00 C ATOM 1930 O SER A 130 99.988 9.883 4.439 1.00 0.00 O ATOM 1931 CB SER A 130 102.997 9.517 5.135 1.00 0.00 C ATOM 1932 OG SER A 130 103.390 10.340 6.226 1.00 0.00 O ATOM 0 H SER A 130 101.453 7.871 3.645 1.00 0.00 H new ATOM 0 HA SER A 130 101.942 8.322 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.809 8.843 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.782 10.130 4.260 1.00 0.00 H new ATOM 0 HG SER A 130 104.185 10.856 5.977 1.00 0.00 H new ATOM 1938 N ARG A 131 100.226 10.187 6.680 1.00 0.00 N ATOM 1939 CA ARG A 131 98.896 10.692 7.004 1.00 0.00 C ATOM 1940 C ARG A 131 98.784 12.141 6.558 1.00 0.00 C ATOM 1941 O ARG A 131 99.759 12.891 6.603 1.00 0.00 O ATOM 1942 CB ARG A 131 98.646 10.585 8.510 1.00 0.00 C ATOM 1943 CG ARG A 131 97.199 10.974 8.826 1.00 0.00 C ATOM 1944 CD ARG A 131 96.969 10.901 10.337 1.00 0.00 C ATOM 1945 NE ARG A 131 95.558 11.156 10.645 1.00 0.00 N ATOM 1946 CZ ARG A 131 94.601 10.219 10.560 1.00 0.00 C ATOM 1947 NH1 ARG A 131 94.858 8.989 10.191 1.00 0.00 N ATOM 1948 NH2 ARG A 131 93.372 10.544 10.854 1.00 0.00 N ATOM 0 H ARG A 131 100.904 10.316 7.431 1.00 0.00 H new ATOM 0 HA ARG A 131 98.147 10.095 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.841 9.567 8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.333 11.237 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 131 96.995 11.982 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 131 96.510 10.305 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.259 9.919 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.598 11.633 10.844 1.00 0.00 H new ATOM 0 HE ARG A 131 95.290 12.095 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 131 95.812 8.716 9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 131 94.104 8.304 10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 131 93.152 11.497 11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 131 92.632 9.845 10.795 1.00 0.00 H new ATOM 1962 N ILE A 132 97.588 12.528 6.129 1.00 0.00 N ATOM 1963 CA ILE A 132 97.464 13.446 5.006 1.00 0.00 C ATOM 1964 C ILE A 132 97.508 14.913 5.434 1.00 0.00 C ATOM 1965 O ILE A 132 96.556 15.484 5.967 1.00 0.00 O ATOM 1966 CB ILE A 132 96.136 13.174 4.270 1.00 0.00 C ATOM 1967 CG1 ILE A 132 96.061 11.706 3.829 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.024 14.064 3.023 1.00 0.00 C ATOM 1969 CD1 ILE A 132 94.638 11.371 3.373 1.00 0.00 C ATOM 0 H ILE A 132 96.703 12.225 6.536 1.00 0.00 H new ATOM 0 HA ILE A 132 98.317 13.272 4.350 1.00 0.00 H new ATOM 0 HB ILE A 132 95.319 13.396 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 132 96.765 11.525 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.351 11.054 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.082 13.861 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 132 96.057 15.112 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.854 13.852 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.592 10.328 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 132 93.944 11.534 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.364 12.012 2.535 1.00 0.00 H new ATOM 1981 N ARG A 133 98.677 15.477 5.160 1.00 0.00 N ATOM 1982 CA ARG A 133 98.876 16.907 4.982 1.00 0.00 C ATOM 1983 C ARG A 133 98.665 17.215 3.496 1.00 0.00 C ATOM 1984 O ARG A 133 98.277 16.329 2.724 1.00 0.00 O ATOM 1985 CB ARG A 133 100.292 17.307 5.403 1.00 0.00 C ATOM 1986 CG ARG A 133 100.469 17.054 6.902 1.00 0.00 C ATOM 1987 CD ARG A 133 101.840 17.568 7.353 1.00 0.00 C ATOM 1988 NE ARG A 133 102.906 16.925 6.579 1.00 0.00 N ATOM 1989 CZ ARG A 133 104.213 17.092 6.837 1.00 0.00 C ATOM 1990 NH1 ARG A 133 104.640 17.853 7.815 1.00 0.00 N ATOM 1991 NH2 ARG A 133 105.087 16.474 6.091 1.00 0.00 N ATOM 0 H ARG A 133 99.535 14.937 5.053 1.00 0.00 H new ATOM 0 HA ARG A 133 98.174 17.468 5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.027 16.734 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.466 18.359 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 133 99.679 17.556 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.381 15.988 7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 133 101.890 18.649 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.980 17.366 8.415 1.00 0.00 H new ATOM 0 HE ARG A 133 102.641 16.318 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 133 103.971 18.342 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 133 105.641 17.956 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 133 104.773 15.876 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 133 106.084 16.589 6.272 1.00 0.00 H new ATOM 2005 N SER A 134 98.866 18.464 3.085 1.00 0.00 N ATOM 2006 CA SER A 134 98.582 18.851 1.699 1.00 0.00 C ATOM 2007 C SER A 134 99.270 17.931 0.675 1.00 0.00 C ATOM 2008 O SER A 134 98.939 17.983 -0.510 1.00 0.00 O ATOM 2009 CB SER A 134 99.040 20.292 1.466 1.00 0.00 C ATOM 2010 OG SER A 134 100.461 20.345 1.524 1.00 0.00 O ATOM 0 H SER A 134 99.218 19.216 3.677 1.00 0.00 H new ATOM 0 HA SER A 134 97.506 18.759 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.690 20.645 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 134 98.608 20.950 2.220 1.00 0.00 H new ATOM 0 HG SER A 134 100.760 21.266 1.374 1.00 0.00 H new ATOM 2016 N VAL A 135 100.217 17.090 1.107 1.00 0.00 N ATOM 2017 CA VAL A 135 100.743 16.022 0.256 1.00 0.00 C ATOM 2018 C VAL A 135 100.565 14.660 0.940 1.00 0.00 C ATOM 2019 O VAL A 135 100.904 14.496 2.113 1.00 0.00 O ATOM 2020 CB VAL A 135 102.226 16.286 -0.047 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.038 16.280 1.252 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.762 15.207 -0.989 1.00 0.00 C ATOM 0 H VAL A 135 100.632 17.130 2.038 1.00 0.00 H new ATOM 0 HA VAL A 135 100.189 16.006 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 135 102.320 17.262 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.088 16.468 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.665 17.058 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.940 15.309 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.814 15.399 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.659 14.229 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.196 15.223 -1.920 1.00 0.00 H new ATOM 2032 N ASP A 136 100.031 13.690 0.197 1.00 0.00 N ATOM 2033 CA ASP A 136 99.818 12.335 0.713 1.00 0.00 C ATOM 2034 C ASP A 136 100.696 11.345 -0.047 1.00 0.00 C ATOM 2035 O ASP A 136 100.824 11.459 -1.267 1.00 0.00 O ATOM 2036 CB ASP A 136 98.349 11.935 0.548 1.00 0.00 C ATOM 2037 CG ASP A 136 98.100 10.544 1.127 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.788 10.175 2.066 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.221 9.866 0.622 1.00 0.00 O ATOM 0 H ASP A 136 99.736 13.818 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 136 100.081 12.319 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.710 12.663 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.080 11.948 -0.508 1.00 0.00 H new ATOM 2044 N VAL A 137 101.300 10.374 0.651 1.00 0.00 N ATOM 2045 CA VAL A 137 102.260 9.475 -0.017 1.00 0.00 C ATOM 2046 C VAL A 137 101.699 8.064 -0.203 1.00 0.00 C ATOM 2047 O VAL A 137 101.019 7.530 0.673 1.00 0.00 O ATOM 2048 CB VAL A 137 103.586 9.417 0.754 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.136 10.833 0.943 1.00 0.00 C ATOM 2050 CG2 VAL A 137 103.387 8.761 2.124 1.00 0.00 C ATOM 0 H VAL A 137 101.151 10.191 1.643 1.00 0.00 H new ATOM 0 HA VAL A 137 102.443 9.892 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 137 104.294 8.820 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.077 10.788 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.305 11.291 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 137 103.418 11.430 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.339 8.730 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 137 102.668 9.340 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.013 7.746 1.990 1.00 0.00 H new ATOM 2060 N GLY A 138 101.994 7.470 -1.358 1.00 0.00 N ATOM 2061 CA GLY A 138 101.689 6.063 -1.598 1.00 0.00 C ATOM 2062 C GLY A 138 102.959 5.336 -2.017 1.00 0.00 C ATOM 2063 O GLY A 138 103.574 5.706 -3.017 1.00 0.00 O ATOM 0 H GLY A 138 102.444 7.943 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.278 5.609 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 138 100.931 5.971 -2.375 1.00 0.00 H new ATOM 2067 N THR A 139 103.379 4.333 -1.248 1.00 0.00 N ATOM 2068 CA THR A 139 104.627 3.631 -1.538 1.00 0.00 C ATOM 2069 C THR A 139 104.400 2.128 -1.644 1.00 0.00 C ATOM 2070 O THR A 139 103.725 1.540 -0.802 1.00 0.00 O ATOM 2071 CB THR A 139 105.651 3.918 -0.437 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.780 5.321 -0.267 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.007 3.323 -0.827 1.00 0.00 C ATOM 0 H THR A 139 102.879 3.991 -0.427 1.00 0.00 H new ATOM 0 HA THR A 139 105.004 3.990 -2.495 1.00 0.00 H new ATOM 0 HB THR A 139 105.315 3.467 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.434 5.506 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.734 3.529 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.908 2.245 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.346 3.771 -1.761 1.00 0.00 H new ATOM 2081 N TRP A 140 104.972 1.516 -2.678 1.00 0.00 N ATOM 2082 CA TRP A 140 104.891 0.067 -2.851 1.00 0.00 C ATOM 2083 C TRP A 140 106.297 -0.515 -2.831 1.00 0.00 C ATOM 2084 O TRP A 140 107.178 0.006 -3.512 1.00 0.00 O ATOM 2085 CB TRP A 140 104.215 -0.265 -4.184 1.00 0.00 C ATOM 2086 CG TRP A 140 102.780 0.153 -4.246 1.00 0.00 C ATOM 2087 CD1 TRP A 140 102.330 1.308 -4.787 1.00 0.00 C ATOM 2088 CD2 TRP A 140 101.603 -0.562 -3.768 1.00 0.00 C ATOM 2089 NE1 TRP A 140 100.953 1.352 -4.667 1.00 0.00 N ATOM 2090 CE2 TRP A 140 100.457 0.223 -4.047 1.00 0.00 C ATOM 2091 CE3 TRP A 140 101.419 -1.798 -3.125 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 99.174 -0.207 -3.699 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 100.132 -2.234 -2.775 1.00 0.00 C ATOM 2094 CH2 TRP A 140 99.012 -1.441 -3.061 1.00 0.00 C ATOM 0 H TRP A 140 105.496 1.999 -3.408 1.00 0.00 H new ATOM 0 HA TRP A 140 104.302 -0.363 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 140 104.762 0.222 -4.991 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.280 -1.339 -4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 140 102.946 2.072 -5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 140 100.374 2.125 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 140 102.275 -2.417 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 98.315 0.408 -3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 100.004 -3.186 -2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 140 98.024 -1.783 -2.789 1.00 0.00 H new ATOM 2105 N ILE A 141 106.513 -1.578 -2.057 1.00 0.00 N ATOM 2106 CA ILE A 141 107.857 -2.127 -1.883 1.00 0.00 C ATOM 2107 C ILE A 141 107.863 -3.642 -2.076 1.00 0.00 C ATOM 2108 O ILE A 141 106.912 -4.325 -1.697 1.00 0.00 O ATOM 2109 CB ILE A 141 108.373 -1.764 -0.483 1.00 0.00 C ATOM 2110 CG1 ILE A 141 109.815 -2.254 -0.312 1.00 0.00 C ATOM 2111 CG2 ILE A 141 107.488 -2.398 0.593 1.00 0.00 C ATOM 2112 CD1 ILE A 141 110.433 -1.605 0.928 1.00 0.00 C ATOM 0 H ILE A 141 105.782 -2.072 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 141 108.514 -1.696 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 141 108.343 -0.680 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 141 109.832 -3.339 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 141 110.402 -2.005 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 141 107.867 -2.131 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 141 106.467 -2.033 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.499 -3.482 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 141 111.458 -1.954 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.430 -0.521 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 141 109.851 -1.876 1.809 1.00 0.00 H new ATOM 2124 N ALA A 142 108.947 -4.152 -2.656 1.00 0.00 N ATOM 2125 CA ALA A 142 109.124 -5.592 -2.815 1.00 0.00 C ATOM 2126 C ALA A 142 110.489 -5.993 -2.267 1.00 0.00 C ATOM 2127 O ALA A 142 111.491 -5.349 -2.573 1.00 0.00 O ATOM 2128 CB ALA A 142 109.026 -5.977 -4.290 1.00 0.00 C ATOM 0 H ALA A 142 109.715 -3.590 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 142 108.340 -6.113 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.160 -7.054 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.047 -5.694 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.802 -5.459 -4.854 1.00 0.00 H new ATOM 2134 N GLY A 143 110.524 -7.046 -1.455 1.00 0.00 N ATOM 2135 CA GLY A 143 111.774 -7.461 -0.823 1.00 0.00 C ATOM 2136 C GLY A 143 111.923 -8.976 -0.805 1.00 0.00 C ATOM 2137 O GLY A 143 110.930 -9.704 -0.785 1.00 0.00 O ATOM 0 H GLY A 143 109.714 -7.621 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.615 -7.019 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.809 -7.080 0.198 1.00 0.00 H new ATOM 2141 N VAL A 144 113.171 -9.436 -0.785 1.00 0.00 N ATOM 2142 CA VAL A 144 113.470 -10.864 -0.762 1.00 0.00 C ATOM 2143 C VAL A 144 114.317 -11.182 0.466 1.00 0.00 C ATOM 2144 O VAL A 144 115.138 -10.361 0.876 1.00 0.00 O ATOM 2145 CB VAL A 144 114.233 -11.265 -2.031 1.00 0.00 C ATOM 2146 CG1 VAL A 144 113.354 -11.017 -3.258 1.00 0.00 C ATOM 2147 CG2 VAL A 144 115.513 -10.433 -2.154 1.00 0.00 C ATOM 0 H VAL A 144 113.996 -8.836 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 144 112.536 -11.424 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 144 114.491 -12.322 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 144 113.898 -11.302 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 144 112.444 -11.612 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.093 -9.960 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 144 116.050 -10.723 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.256 -9.375 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.146 -10.608 -1.284 1.00 0.00 H new ATOM 2157 N GLY A 145 114.101 -12.352 1.060 1.00 0.00 N ATOM 2158 CA GLY A 145 114.836 -12.716 2.266 1.00 0.00 C ATOM 2159 C GLY A 145 114.939 -14.225 2.463 1.00 0.00 C ATOM 2160 O GLY A 145 114.381 -15.016 1.695 1.00 0.00 O ATOM 0 H GLY A 145 113.436 -13.053 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.839 -12.291 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.345 -12.274 3.133 1.00 0.00 H new ATOM 2164 N TYR A 146 115.661 -14.587 3.524 1.00 0.00 N ATOM 2165 CA TYR A 146 115.837 -15.976 3.934 1.00 0.00 C ATOM 2166 C TYR A 146 115.658 -16.090 5.445 1.00 0.00 C ATOM 2167 O TYR A 146 115.623 -15.076 6.143 1.00 0.00 O ATOM 2168 CB TYR A 146 117.234 -16.471 3.542 1.00 0.00 C ATOM 2169 CG TYR A 146 118.364 -15.768 4.263 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.860 -14.556 3.768 1.00 0.00 C ATOM 2171 CD2 TYR A 146 118.916 -16.331 5.421 1.00 0.00 C ATOM 2172 CE1 TYR A 146 119.908 -13.907 4.430 1.00 0.00 C ATOM 2173 CE2 TYR A 146 119.963 -15.680 6.083 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.461 -14.467 5.589 1.00 0.00 C ATOM 2175 OH TYR A 146 121.495 -13.828 6.239 1.00 0.00 O ATOM 0 H TYR A 146 116.142 -13.918 4.125 1.00 0.00 H new ATOM 0 HA TYR A 146 115.090 -16.591 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.299 -17.540 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.366 -16.340 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.434 -14.122 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.534 -17.266 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.291 -12.973 4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.388 -16.113 6.976 1.00 0.00 H new ATOM 0 HH TYR A 146 121.760 -14.350 7.025 1.00 0.00 H new ATOM 2185 N ARG A 147 115.590 -17.319 5.946 1.00 0.00 N ATOM 2186 CA ARG A 147 115.378 -17.544 7.373 1.00 0.00 C ATOM 2187 C ARG A 147 116.179 -18.750 7.857 1.00 0.00 C ATOM 2188 O ARG A 147 116.411 -19.694 7.102 1.00 0.00 O ATOM 2189 CB ARG A 147 113.881 -17.713 7.692 1.00 0.00 C ATOM 2190 CG ARG A 147 113.296 -19.045 7.184 1.00 0.00 C ATOM 2191 CD ARG A 147 113.069 -19.008 5.670 1.00 0.00 C ATOM 2192 NE ARG A 147 112.319 -20.195 5.250 1.00 0.00 N ATOM 2193 CZ ARG A 147 110.981 -20.278 5.288 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.230 -19.290 5.710 1.00 0.00 N ATOM 2195 NH2 ARG A 147 110.406 -21.382 4.892 1.00 0.00 N ATOM 0 H ARG A 147 115.678 -18.170 5.390 1.00 0.00 H new ATOM 0 HA ARG A 147 115.735 -16.664 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 147 113.737 -17.649 8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 147 113.326 -16.887 7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 147 113.974 -19.861 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 147 112.353 -19.248 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 147 112.522 -18.106 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 147 114.026 -18.969 5.151 1.00 0.00 H new ATOM 0 HE ARG A 147 112.843 -21.002 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 147 110.661 -18.420 6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 147 109.215 -19.391 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 147 110.973 -22.162 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 147 109.390 -21.464 4.914 1.00 0.00 H new ATOM 2209 N PHE A 148 116.602 -18.714 9.119 1.00 0.00 N ATOM 2210 CA PHE A 148 117.393 -19.806 9.680 1.00 0.00 C ATOM 2211 C PHE A 148 116.951 -20.121 11.106 1.00 0.00 C ATOM 2212 O PHE A 148 117.454 -21.086 11.661 1.00 0.00 O ATOM 2213 CB PHE A 148 118.876 -19.426 9.675 1.00 0.00 C ATOM 2214 CG PHE A 148 119.790 -20.556 10.087 1.00 0.00 C ATOM 2215 CD1 PHE A 148 120.195 -21.508 9.145 1.00 0.00 C ATOM 2216 CD2 PHE A 148 120.237 -20.647 11.409 1.00 0.00 C ATOM 2217 CE1 PHE A 148 121.045 -22.553 9.527 1.00 0.00 C ATOM 2218 CE2 PHE A 148 121.086 -21.692 11.792 1.00 0.00 C ATOM 2219 CZ PHE A 148 121.490 -22.644 10.850 1.00 0.00 C ATOM 2220 OXT PHE A 148 116.117 -19.397 11.625 1.00 0.00 O ATOM 0 H PHE A 148 116.413 -17.949 9.766 1.00 0.00 H new ATOM 0 HA PHE A 148 117.239 -20.693 9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 148 119.154 -19.091 8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 148 119.029 -18.582 10.348 1.00 0.00 H new ATOM 0 HD1 PHE A 148 119.852 -21.437 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 148 119.927 -19.910 12.135 1.00 0.00 H new ATOM 0 HE1 PHE A 148 121.357 -23.289 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 148 121.429 -21.763 12.814 1.00 0.00 H new ATOM 0 HZ PHE A 148 122.146 -23.450 11.144 1.00 0.00 H new TER 2230 PHE A 148