USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=49 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 127 TYR OH : rot 180:sc= 0.738 USER MOD Set 1.2: A 129 GLN : amide:sc= -0.545 X(o=0.19,f=0.12) USER MOD Set 2.1: A 103 SER OG : rot -41:sc= 0.0502 USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -176:sc= 0.00101 (180deg=0) USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= 0.00235 USER MOD Set 4.1: A 21 MET CE :methyl -149:sc= -0.183 (180deg=-1.24) USER MOD Set 4.2: A 46 THR OG1 : rot 148:sc= 0.175 USER MOD Set 4.3: A 62 TYR OH : rot 130:sc= -0.179 USER MOD Set 5.1: A 45 TYR OH : rot 30:sc= -0.297 USER MOD Set 5.2: A 61 GLN : amide:sc= -0.631 K(o=-0.93,f=1.1) USER MOD Set 6.1: A 12 SER OG : rot 180:sc= -0.673 USER MOD Set 6.2: A 139 THR OG1 : rot 48:sc= -1.45! USER MOD Single : A 1 ALA N :NH3+ -172:sc= 0 (180deg=-0.0677) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 32:sc= -0.745 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=-1.2) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 18 MET CE :methyl -155:sc= -0.214 (180deg=-1.35) USER MOD Single : A 19 ASN : amide:sc= -4.41 X(o=-4.4,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 141:sc= -0.138 (180deg=-0.896) USER MOD Single : A 25 ASN : amide:sc= -1.98 K(o=-2,f=-2.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.116 K(o=-0.12,f=-5.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.281 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.000877 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -87:sc= 0.853 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 154:sc= 0.989 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0733 K(o=-0.073,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.278 K(o=-0.28,f=-5.5!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.695 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.156 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+ 156:sc= -0.175 (180deg=-0.944) USER MOD Single : A 100 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -1.13 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.652 K(o=-0.65,f=-3.5!) USER MOD Single : A 116 ASN : amide:sc= -1 K(o=-1,f=-2.4) USER MOD Single : A 118 MET CE :methyl -153:sc= -0.186 (180deg=-1.29!) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 126 SER OG : rot 20:sc= 1.14 USER MOD Single : A 130 SER OG : rot 180:sc= -0.706 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 1 115.669 -22.244 9.117 1.00 0.00 N ATOM 2 CA ALA A 1 116.552 -23.277 8.507 1.00 0.00 C ATOM 3 C ALA A 1 117.342 -22.654 7.361 1.00 0.00 C ATOM 4 O ALA A 1 118.547 -22.872 7.234 1.00 0.00 O ATOM 5 CB ALA A 1 115.696 -24.432 7.985 1.00 0.00 C ATOM 0 H1 ALA A 1 115.232 -22.626 9.980 1.00 0.00 H new ATOM 0 H2 ALA A 1 116.233 -21.404 9.358 1.00 0.00 H new ATOM 0 H3 ALA A 1 114.925 -21.980 8.440 1.00 0.00 H new ATOM 0 HA ALA A 1 117.247 -23.657 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 1 116.340 -25.189 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.137 -24.872 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 1 115.000 -24.059 7.234 1.00 0.00 H new ATOM 13 N THR A 2 116.654 -21.879 6.527 1.00 0.00 N ATOM 14 CA THR A 2 117.292 -21.225 5.387 1.00 0.00 C ATOM 15 C THR A 2 117.097 -19.713 5.466 1.00 0.00 C ATOM 16 O THR A 2 116.029 -19.237 5.850 1.00 0.00 O ATOM 17 CB THR A 2 116.693 -21.752 4.082 1.00 0.00 C ATOM 18 OG1 THR A 2 116.782 -23.169 4.062 1.00 0.00 O ATOM 19 CG2 THR A 2 117.462 -21.174 2.892 1.00 0.00 C ATOM 0 H THR A 2 115.656 -21.688 6.618 1.00 0.00 H new ATOM 0 HA THR A 2 118.359 -21.446 5.411 1.00 0.00 H new ATOM 0 HB THR A 2 115.648 -21.451 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 2 116.397 -23.509 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.033 -21.551 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 2 117.393 -20.086 2.908 1.00 0.00 H new ATOM 0 HG23 THR A 2 118.508 -21.472 2.956 1.00 0.00 H new ATOM 27 N SER A 3 118.134 -18.966 5.100 1.00 0.00 N ATOM 28 CA SER A 3 118.075 -17.507 5.146 1.00 0.00 C ATOM 29 C SER A 3 118.527 -16.919 3.815 1.00 0.00 C ATOM 30 O SER A 3 119.419 -17.458 3.161 1.00 0.00 O ATOM 31 CB SER A 3 118.975 -16.985 6.267 1.00 0.00 C ATOM 32 OG SER A 3 118.814 -15.577 6.376 1.00 0.00 O ATOM 0 H SER A 3 119.022 -19.344 4.770 1.00 0.00 H new ATOM 0 HA SER A 3 117.045 -17.205 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 118.718 -17.467 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 120.016 -17.229 6.057 1.00 0.00 H new ATOM 0 HG SER A 3 119.387 -15.237 7.094 1.00 0.00 H new ATOM 38 N THR A 4 117.896 -15.818 3.413 1.00 0.00 N ATOM 39 CA THR A 4 118.243 -15.157 2.157 1.00 0.00 C ATOM 40 C THR A 4 118.503 -13.673 2.393 1.00 0.00 C ATOM 41 O THR A 4 117.729 -12.998 3.072 1.00 0.00 O ATOM 42 CB THR A 4 117.107 -15.319 1.143 1.00 0.00 C ATOM 43 OG1 THR A 4 115.939 -14.680 1.638 1.00 0.00 O ATOM 44 CG2 THR A 4 116.823 -16.806 0.918 1.00 0.00 C ATOM 0 H THR A 4 117.145 -15.367 3.936 1.00 0.00 H new ATOM 0 HA THR A 4 119.147 -15.621 1.763 1.00 0.00 H new ATOM 0 HB THR A 4 117.398 -14.863 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 4 116.195 -13.905 2.181 1.00 0.00 H new ATOM 0 HG21 THR A 4 116.014 -16.917 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 4 117.720 -17.294 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 4 116.533 -17.268 1.862 1.00 0.00 H new ATOM 52 N VAL A 5 119.598 -13.169 1.831 1.00 0.00 N ATOM 53 CA VAL A 5 119.942 -11.755 1.968 1.00 0.00 C ATOM 54 C VAL A 5 119.887 -11.099 0.595 1.00 0.00 C ATOM 55 O VAL A 5 120.494 -11.595 -0.350 1.00 0.00 O ATOM 56 CB VAL A 5 121.347 -11.604 2.561 1.00 0.00 C ATOM 57 CG1 VAL A 5 121.658 -10.120 2.778 1.00 0.00 C ATOM 58 CG2 VAL A 5 121.422 -12.332 3.906 1.00 0.00 C ATOM 0 H VAL A 5 120.260 -13.714 1.279 1.00 0.00 H new ATOM 0 HA VAL A 5 119.231 -11.272 2.638 1.00 0.00 H new ATOM 0 HB VAL A 5 122.072 -12.035 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 5 122.658 -10.016 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 5 121.610 -9.595 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 5 120.928 -9.692 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.423 -12.222 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.693 -11.903 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.204 -13.390 3.760 1.00 0.00 H new ATOM 68 N THR A 6 119.152 -9.996 0.489 1.00 0.00 N ATOM 69 CA THR A 6 118.945 -9.346 -0.802 1.00 0.00 C ATOM 70 C THR A 6 119.142 -7.837 -0.695 1.00 0.00 C ATOM 71 O THR A 6 118.886 -7.240 0.350 1.00 0.00 O ATOM 72 CB THR A 6 117.526 -9.636 -1.297 1.00 0.00 C ATOM 73 OG1 THR A 6 117.277 -11.034 -1.239 1.00 0.00 O ATOM 74 CG2 THR A 6 117.371 -9.149 -2.738 1.00 0.00 C ATOM 0 H THR A 6 118.693 -9.536 1.275 1.00 0.00 H new ATOM 0 HA THR A 6 119.677 -9.742 -1.506 1.00 0.00 H new ATOM 0 HB THR A 6 116.811 -9.113 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 6 116.368 -11.218 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 6 116.359 -9.358 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 6 117.555 -8.076 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 6 118.088 -9.666 -3.376 1.00 0.00 H new ATOM 82 N GLY A 7 119.610 -7.229 -1.780 1.00 0.00 N ATOM 83 CA GLY A 7 119.721 -5.776 -1.835 1.00 0.00 C ATOM 84 C GLY A 7 119.374 -5.290 -3.234 1.00 0.00 C ATOM 85 O GLY A 7 119.582 -6.014 -4.207 1.00 0.00 O ATOM 0 H GLY A 7 119.915 -7.713 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 119.051 -5.322 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 7 120.733 -5.468 -1.573 1.00 0.00 H new ATOM 89 N GLY A 8 118.850 -4.071 -3.336 1.00 0.00 N ATOM 90 CA GLY A 8 118.462 -3.540 -4.639 1.00 0.00 C ATOM 91 C GLY A 8 118.416 -2.018 -4.644 1.00 0.00 C ATOM 92 O GLY A 8 118.477 -1.376 -3.596 1.00 0.00 O ATOM 0 H GLY A 8 118.687 -3.443 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 8 119.168 -3.884 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 8 117.483 -3.933 -4.914 1.00 0.00 H new ATOM 96 N TYR A 9 118.274 -1.465 -5.844 1.00 0.00 N ATOM 97 CA TYR A 9 118.221 -0.020 -6.035 1.00 0.00 C ATOM 98 C TYR A 9 116.968 0.357 -6.820 1.00 0.00 C ATOM 99 O TYR A 9 116.506 -0.411 -7.668 1.00 0.00 O ATOM 100 CB TYR A 9 119.479 0.456 -6.771 1.00 0.00 C ATOM 101 CG TYR A 9 119.569 -0.011 -8.207 1.00 0.00 C ATOM 102 CD1 TYR A 9 120.106 -1.270 -8.501 1.00 0.00 C ATOM 103 CD2 TYR A 9 119.117 0.817 -9.242 1.00 0.00 C ATOM 104 CE1 TYR A 9 120.191 -1.702 -9.830 1.00 0.00 C ATOM 105 CE2 TYR A 9 119.202 0.385 -10.571 1.00 0.00 C ATOM 106 CZ TYR A 9 119.739 -0.874 -10.865 1.00 0.00 C ATOM 107 OH TYR A 9 119.822 -1.301 -12.174 1.00 0.00 O ATOM 0 H TYR A 9 118.193 -2.002 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 9 118.181 0.468 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 9 119.507 1.545 -6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 9 120.358 0.105 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 9 120.455 -1.908 -7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 9 118.703 1.788 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 9 120.605 -2.673 -10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.853 1.023 -11.370 1.00 0.00 H new ATOM 0 HH TYR A 9 119.465 -0.608 -12.767 1.00 0.00 H new ATOM 117 N ALA A 10 116.380 1.502 -6.483 1.00 0.00 N ATOM 118 CA ALA A 10 115.191 1.975 -7.182 1.00 0.00 C ATOM 119 C ALA A 10 115.260 3.480 -7.424 1.00 0.00 C ATOM 120 O ALA A 10 115.781 4.227 -6.597 1.00 0.00 O ATOM 121 CB ALA A 10 113.944 1.647 -6.359 1.00 0.00 C ATOM 0 H ALA A 10 116.705 2.115 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 10 115.140 1.472 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 10 113.057 2.002 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 10 113.875 0.568 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 10 114.010 2.137 -5.387 1.00 0.00 H new ATOM 127 N GLN A 11 114.726 3.909 -8.565 1.00 0.00 N ATOM 128 CA GLN A 11 114.632 5.329 -8.890 1.00 0.00 C ATOM 129 C GLN A 11 113.164 5.723 -9.008 1.00 0.00 C ATOM 130 O GLN A 11 112.360 4.964 -9.550 1.00 0.00 O ATOM 131 CB GLN A 11 115.351 5.616 -10.210 1.00 0.00 C ATOM 132 CG GLN A 11 116.845 5.319 -10.053 1.00 0.00 C ATOM 133 CD GLN A 11 117.573 5.514 -11.381 1.00 0.00 C ATOM 134 OE1 GLN A 11 116.950 5.532 -12.444 1.00 0.00 O ATOM 135 NE2 GLN A 11 118.870 5.660 -11.383 1.00 0.00 N ATOM 0 H GLN A 11 114.350 3.290 -9.283 1.00 0.00 H new ATOM 0 HA GLN A 11 115.105 5.910 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 11 114.929 5.003 -11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 11 115.205 6.657 -10.497 1.00 0.00 H new ATOM 0 HG2 GLN A 11 117.275 5.976 -9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 11 116.983 4.296 -9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 11 119.386 5.645 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 11 119.367 5.789 -12.264 1.00 0.00 H new ATOM 144 N SER A 12 112.806 6.904 -8.504 1.00 0.00 N ATOM 145 CA SER A 12 111.401 7.304 -8.454 1.00 0.00 C ATOM 146 C SER A 12 111.167 8.582 -9.249 1.00 0.00 C ATOM 147 O SER A 12 111.968 9.515 -9.191 1.00 0.00 O ATOM 148 CB SER A 12 110.990 7.534 -6.999 1.00 0.00 C ATOM 149 OG SER A 12 111.245 6.354 -6.250 1.00 0.00 O ATOM 0 H SER A 12 113.460 7.592 -8.129 1.00 0.00 H new ATOM 0 HA SER A 12 110.801 6.507 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 12 111.546 8.373 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 12 109.933 7.793 -6.944 1.00 0.00 H new ATOM 0 HG SER A 12 110.985 6.497 -5.316 1.00 0.00 H new ATOM 155 N ASP A 13 110.047 8.612 -9.965 1.00 0.00 N ATOM 156 CA ASP A 13 109.649 9.787 -10.729 1.00 0.00 C ATOM 157 C ASP A 13 108.421 10.412 -10.082 1.00 0.00 C ATOM 158 O ASP A 13 107.518 9.699 -9.647 1.00 0.00 O ATOM 159 CB ASP A 13 109.328 9.392 -12.174 1.00 0.00 C ATOM 160 CG ASP A 13 110.569 8.827 -12.862 1.00 0.00 C ATOM 161 OD1 ASP A 13 111.663 9.250 -12.524 1.00 0.00 O ATOM 162 OD2 ASP A 13 110.406 7.975 -13.720 1.00 0.00 O ATOM 0 H ASP A 13 109.396 7.830 -10.031 1.00 0.00 H new ATOM 0 HA ASP A 13 110.467 10.507 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 13 108.529 8.651 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 13 108.965 10.261 -12.723 1.00 0.00 H new ATOM 167 N ALA A 14 108.396 11.739 -10.018 1.00 0.00 N ATOM 168 CA ALA A 14 107.316 12.446 -9.351 1.00 0.00 C ATOM 169 C ALA A 14 106.357 13.027 -10.381 1.00 0.00 C ATOM 170 O ALA A 14 106.676 13.985 -11.085 1.00 0.00 O ATOM 171 CB ALA A 14 107.890 13.566 -8.479 1.00 0.00 C ATOM 0 H ALA A 14 109.112 12.344 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 14 106.770 11.746 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 14 107.076 14.093 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.557 13.139 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 14 108.446 14.265 -9.104 1.00 0.00 H new ATOM 177 N GLN A 15 105.184 12.421 -10.464 1.00 0.00 N ATOM 178 CA GLN A 15 104.132 12.913 -11.343 1.00 0.00 C ATOM 179 C GLN A 15 103.345 14.017 -10.646 1.00 0.00 C ATOM 180 O GLN A 15 102.753 13.804 -9.584 1.00 0.00 O ATOM 181 CB GLN A 15 103.193 11.770 -11.731 1.00 0.00 C ATOM 182 CG GLN A 15 103.954 10.746 -12.575 1.00 0.00 C ATOM 183 CD GLN A 15 103.062 9.550 -12.903 1.00 0.00 C ATOM 184 OE1 GLN A 15 102.040 9.329 -12.250 1.00 0.00 O ATOM 185 NE2 GLN A 15 103.390 8.758 -13.886 1.00 0.00 N ATOM 0 H GLN A 15 104.935 11.586 -9.933 1.00 0.00 H new ATOM 0 HA GLN A 15 104.589 13.317 -12.246 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.794 11.294 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.343 12.159 -12.291 1.00 0.00 H new ATOM 0 HG2 GLN A 15 104.300 11.212 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 15 104.840 10.409 -12.036 1.00 0.00 H new ATOM 0 HE21 GLN A 15 104.235 8.940 -14.427 1.00 0.00 H new ATOM 0 HE22 GLN A 15 102.801 7.957 -14.114 1.00 0.00 H new ATOM 194 N GLY A 16 103.331 15.182 -11.286 1.00 0.00 N ATOM 195 CA GLY A 16 102.726 16.388 -10.718 1.00 0.00 C ATOM 196 C GLY A 16 103.713 17.198 -9.863 1.00 0.00 C ATOM 197 O GLY A 16 103.445 18.357 -9.543 1.00 0.00 O ATOM 0 H GLY A 16 103.737 15.320 -12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 16 102.350 17.016 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 16 101.868 16.107 -10.107 1.00 0.00 H new ATOM 201 N GLN A 17 104.847 16.601 -9.492 1.00 0.00 N ATOM 202 CA GLN A 17 105.938 17.330 -8.854 1.00 0.00 C ATOM 203 C GLN A 17 107.171 17.292 -9.750 1.00 0.00 C ATOM 204 O GLN A 17 107.367 16.325 -10.487 1.00 0.00 O ATOM 205 CB GLN A 17 106.264 16.709 -7.493 1.00 0.00 C ATOM 206 CG GLN A 17 107.325 17.557 -6.784 1.00 0.00 C ATOM 207 CD GLN A 17 107.637 16.996 -5.397 1.00 0.00 C ATOM 208 OE1 GLN A 17 106.966 16.081 -4.916 1.00 0.00 O ATOM 209 NE2 GLN A 17 108.632 17.498 -4.717 1.00 0.00 N ATOM 0 H GLN A 17 105.032 15.607 -9.625 1.00 0.00 H new ATOM 0 HA GLN A 17 105.633 18.365 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.363 16.651 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.626 15.689 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 17 108.235 17.583 -7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 17 106.974 18.585 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 17 109.189 18.255 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 17 108.852 17.133 -3.790 1.00 0.00 H new ATOM 218 N MET A 18 107.996 18.335 -9.698 1.00 0.00 N ATOM 219 CA MET A 18 109.239 18.338 -10.465 1.00 0.00 C ATOM 220 C MET A 18 110.406 17.909 -9.581 1.00 0.00 C ATOM 221 O MET A 18 110.981 18.729 -8.867 1.00 0.00 O ATOM 222 CB MET A 18 109.505 19.737 -11.022 1.00 0.00 C ATOM 223 CG MET A 18 108.403 20.112 -12.015 1.00 0.00 C ATOM 224 SD MET A 18 108.828 21.664 -12.845 1.00 0.00 S ATOM 225 CE MET A 18 108.902 22.712 -11.370 1.00 0.00 C ATOM 0 H MET A 18 107.831 19.175 -9.143 1.00 0.00 H new ATOM 0 HA MET A 18 109.141 17.633 -11.291 1.00 0.00 H new ATOM 0 HB2 MET A 18 109.539 20.463 -10.209 1.00 0.00 H new ATOM 0 HB3 MET A 18 110.477 19.765 -11.514 1.00 0.00 H new ATOM 0 HG2 MET A 18 108.278 19.318 -12.751 1.00 0.00 H new ATOM 0 HG3 MET A 18 107.451 20.216 -11.494 1.00 0.00 H new ATOM 0 HE1 MET A 18 108.710 23.748 -11.650 1.00 0.00 H new ATOM 0 HE2 MET A 18 108.149 22.384 -10.653 1.00 0.00 H new ATOM 0 HE3 MET A 18 109.891 22.635 -10.918 1.00 0.00 H new ATOM 235 N ASN A 19 110.773 16.631 -9.669 1.00 0.00 N ATOM 236 CA ASN A 19 111.860 16.092 -8.853 1.00 0.00 C ATOM 237 C ASN A 19 112.102 14.617 -9.168 1.00 0.00 C ATOM 238 O ASN A 19 111.223 13.924 -9.681 1.00 0.00 O ATOM 239 CB ASN A 19 111.526 16.231 -7.362 1.00 0.00 C ATOM 240 CG ASN A 19 112.708 15.770 -6.515 1.00 0.00 C ATOM 241 OD1 ASN A 19 112.657 14.700 -5.910 1.00 0.00 O ATOM 242 ND2 ASN A 19 113.776 16.516 -6.440 1.00 0.00 N ATOM 0 H ASN A 19 110.336 15.953 -10.293 1.00 0.00 H new ATOM 0 HA ASN A 19 112.761 16.660 -9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.285 17.269 -7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 19 110.643 15.638 -7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 19 114.572 16.213 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 19 113.815 17.403 -6.943 1.00 0.00 H new ATOM 249 N LYS A 20 113.307 14.151 -8.851 1.00 0.00 N ATOM 250 CA LYS A 20 113.642 12.735 -8.963 1.00 0.00 C ATOM 251 C LYS A 20 114.292 12.266 -7.664 1.00 0.00 C ATOM 252 O LYS A 20 114.996 13.037 -7.012 1.00 0.00 O ATOM 253 CB LYS A 20 114.603 12.511 -10.132 1.00 0.00 C ATOM 254 CG LYS A 20 113.914 12.896 -11.443 1.00 0.00 C ATOM 255 CD LYS A 20 114.835 12.571 -12.620 1.00 0.00 C ATOM 256 CE LYS A 20 114.200 13.067 -13.919 1.00 0.00 C ATOM 257 NZ LYS A 20 113.980 14.539 -13.834 1.00 0.00 N ATOM 0 H LYS A 20 114.071 14.737 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 20 112.731 12.164 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 20 115.505 13.108 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 20 114.914 11.467 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 20 112.973 12.355 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 20 113.672 13.959 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 20 115.807 13.042 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 115.007 11.496 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 20 114.847 12.833 -14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 113.253 12.556 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 114.194 14.976 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 112.988 14.728 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 114.604 14.942 -13.106 1.00 0.00 H new ATOM 271 N MET A 21 114.064 11.009 -7.283 1.00 0.00 N ATOM 272 CA MET A 21 114.589 10.503 -6.014 1.00 0.00 C ATOM 273 C MET A 21 115.291 9.165 -6.214 1.00 0.00 C ATOM 274 O MET A 21 115.021 8.458 -7.183 1.00 0.00 O ATOM 275 CB MET A 21 113.449 10.334 -5.010 1.00 0.00 C ATOM 276 CG MET A 21 112.833 11.702 -4.703 1.00 0.00 C ATOM 277 SD MET A 21 111.636 11.546 -3.353 1.00 0.00 S ATOM 278 CE MET A 21 110.515 10.378 -4.162 1.00 0.00 C ATOM 0 H MET A 21 113.528 10.331 -7.825 1.00 0.00 H new ATOM 0 HA MET A 21 115.311 11.224 -5.631 1.00 0.00 H new ATOM 0 HB2 MET A 21 112.690 9.664 -5.414 1.00 0.00 H new ATOM 0 HB3 MET A 21 113.822 9.877 -4.093 1.00 0.00 H new ATOM 0 HG2 MET A 21 113.615 12.410 -4.428 1.00 0.00 H new ATOM 0 HG3 MET A 21 112.343 12.098 -5.592 1.00 0.00 H new ATOM 0 HE1 MET A 21 109.497 10.547 -3.809 1.00 0.00 H new ATOM 0 HE2 MET A 21 110.554 10.525 -5.241 1.00 0.00 H new ATOM 0 HE3 MET A 21 110.818 9.358 -3.923 1.00 0.00 H new ATOM 288 N GLY A 22 116.176 8.817 -5.286 1.00 0.00 N ATOM 289 CA GLY A 22 116.892 7.549 -5.373 1.00 0.00 C ATOM 290 C GLY A 22 117.021 6.919 -3.993 1.00 0.00 C ATOM 291 O GLY A 22 117.267 7.621 -3.014 1.00 0.00 O ATOM 0 H GLY A 22 116.413 9.387 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 22 116.363 6.870 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 22 117.882 7.711 -5.800 1.00 0.00 H new ATOM 295 N GLY A 23 116.833 5.604 -3.915 1.00 0.00 N ATOM 296 CA GLY A 23 116.915 4.919 -2.630 1.00 0.00 C ATOM 297 C GLY A 23 117.398 3.482 -2.782 1.00 0.00 C ATOM 298 O GLY A 23 117.401 2.925 -3.879 1.00 0.00 O ATOM 0 H GLY A 23 116.626 5.001 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 23 117.593 5.462 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 23 115.935 4.924 -2.153 1.00 0.00 H new ATOM 302 N PHE A 24 117.790 2.890 -1.658 1.00 0.00 N ATOM 303 CA PHE A 24 118.254 1.506 -1.635 1.00 0.00 C ATOM 304 C PHE A 24 117.474 0.727 -0.585 1.00 0.00 C ATOM 305 O PHE A 24 116.977 1.318 0.374 1.00 0.00 O ATOM 306 CB PHE A 24 119.748 1.459 -1.310 1.00 0.00 C ATOM 307 CG PHE A 24 120.609 2.164 -2.331 1.00 0.00 C ATOM 308 CD1 PHE A 24 121.112 1.457 -3.430 1.00 0.00 C ATOM 309 CD2 PHE A 24 120.905 3.524 -2.178 1.00 0.00 C ATOM 310 CE1 PHE A 24 121.911 2.110 -4.376 1.00 0.00 C ATOM 311 CE2 PHE A 24 121.704 4.177 -3.124 1.00 0.00 C ATOM 312 CZ PHE A 24 122.206 3.471 -4.223 1.00 0.00 C ATOM 0 H PHE A 24 117.796 3.349 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 24 118.092 1.057 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 24 119.913 1.912 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 24 120.063 0.418 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 24 120.884 0.408 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 24 120.517 4.069 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 24 122.300 1.565 -5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 24 121.933 5.226 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 24 122.821 3.975 -4.953 1.00 0.00 H new ATOM 322 N ASN A 25 117.362 -0.588 -0.761 1.00 0.00 N ATOM 323 CA ASN A 25 116.599 -1.401 0.182 1.00 0.00 C ATOM 324 C ASN A 25 117.231 -2.774 0.387 1.00 0.00 C ATOM 325 O ASN A 25 117.895 -3.303 -0.504 1.00 0.00 O ATOM 326 CB ASN A 25 115.159 -1.560 -0.313 1.00 0.00 C ATOM 327 CG ASN A 25 115.134 -2.136 -1.726 1.00 0.00 C ATOM 328 OD1 ASN A 25 116.109 -2.740 -2.175 1.00 0.00 O ATOM 329 ND2 ASN A 25 114.068 -1.981 -2.462 1.00 0.00 N ATOM 0 H ASN A 25 117.782 -1.105 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 25 116.603 -0.886 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 25 114.608 -2.215 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 25 114.656 -0.593 -0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 25 114.042 -2.360 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.260 -1.481 -2.091 1.00 0.00 H new ATOM 336 N LEU A 26 117.038 -3.324 1.584 1.00 0.00 N ATOM 337 CA LEU A 26 117.508 -4.671 1.899 1.00 0.00 C ATOM 338 C LEU A 26 116.334 -5.520 2.373 1.00 0.00 C ATOM 339 O LEU A 26 115.516 -5.062 3.169 1.00 0.00 O ATOM 340 CB LEU A 26 118.578 -4.614 2.994 1.00 0.00 C ATOM 341 CG LEU A 26 119.733 -3.710 2.553 1.00 0.00 C ATOM 342 CD1 LEU A 26 120.746 -3.587 3.693 1.00 0.00 C ATOM 343 CD2 LEU A 26 120.426 -4.314 1.329 1.00 0.00 C ATOM 0 H LEU A 26 116.558 -2.856 2.353 1.00 0.00 H new ATOM 0 HA LEU A 26 117.943 -5.116 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.143 -4.236 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 118.950 -5.617 3.203 1.00 0.00 H new ATOM 0 HG LEU A 26 119.340 -2.725 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.569 -2.944 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 26 120.259 -3.155 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 26 121.133 -4.575 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 26 121.247 -3.667 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.816 -5.300 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.709 -4.406 0.513 1.00 0.00 H new ATOM 355 N LYS A 27 116.254 -6.759 1.893 1.00 0.00 N ATOM 356 CA LYS A 27 115.118 -7.624 2.214 1.00 0.00 C ATOM 357 C LYS A 27 115.575 -8.896 2.922 1.00 0.00 C ATOM 358 O LYS A 27 116.593 -9.490 2.567 1.00 0.00 O ATOM 359 CB LYS A 27 114.375 -8.000 0.929 1.00 0.00 C ATOM 360 CG LYS A 27 113.903 -6.728 0.218 1.00 0.00 C ATOM 361 CD LYS A 27 112.971 -7.100 -0.941 1.00 0.00 C ATOM 362 CE LYS A 27 113.727 -7.914 -2.000 1.00 0.00 C ATOM 363 NZ LYS A 27 113.234 -7.539 -3.354 1.00 0.00 N ATOM 0 H LYS A 27 116.954 -7.185 1.286 1.00 0.00 H new ATOM 0 HA LYS A 27 114.454 -7.075 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.030 -8.574 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 27 113.521 -8.636 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 27 113.383 -6.078 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 27 114.761 -6.170 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 27 112.126 -7.677 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.563 -6.195 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 114.798 -7.724 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 113.579 -8.980 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 113.695 -8.137 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 112.204 -7.677 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 113.458 -6.541 -3.541 1.00 0.00 H new ATOM 377 N TYR A 28 114.807 -9.301 3.930 1.00 0.00 N ATOM 378 CA TYR A 28 115.077 -10.538 4.659 1.00 0.00 C ATOM 379 C TYR A 28 113.866 -11.461 4.575 1.00 0.00 C ATOM 380 O TYR A 28 112.728 -10.998 4.662 1.00 0.00 O ATOM 381 CB TYR A 28 115.384 -10.225 6.124 1.00 0.00 C ATOM 382 CG TYR A 28 116.573 -9.311 6.309 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.871 -9.833 6.261 1.00 0.00 C ATOM 384 CD2 TYR A 28 116.376 -7.942 6.526 1.00 0.00 C ATOM 385 CE1 TYR A 28 118.973 -8.987 6.432 1.00 0.00 C ATOM 386 CE2 TYR A 28 117.479 -7.095 6.696 1.00 0.00 C ATOM 387 CZ TYR A 28 118.777 -7.618 6.649 1.00 0.00 C ATOM 388 OH TYR A 28 119.863 -6.783 6.817 1.00 0.00 O ATOM 0 H TYR A 28 113.990 -8.789 4.262 1.00 0.00 H new ATOM 0 HA TYR A 28 115.939 -11.032 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.508 -9.765 6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.567 -11.159 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 28 118.022 -10.889 6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.375 -7.539 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 28 119.974 -9.390 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 28 117.328 -6.039 6.863 1.00 0.00 H new ATOM 0 HH TYR A 28 119.551 -5.864 6.956 1.00 0.00 H new ATOM 398 N ARG A 29 114.113 -12.758 4.387 1.00 0.00 N ATOM 399 CA ARG A 29 113.028 -13.725 4.231 1.00 0.00 C ATOM 400 C ARG A 29 113.244 -14.953 5.113 1.00 0.00 C ATOM 401 O ARG A 29 114.366 -15.441 5.252 1.00 0.00 O ATOM 402 CB ARG A 29 112.932 -14.161 2.767 1.00 0.00 C ATOM 403 CG ARG A 29 111.692 -15.037 2.570 1.00 0.00 C ATOM 404 CD ARG A 29 111.557 -15.406 1.093 1.00 0.00 C ATOM 405 NE ARG A 29 112.633 -16.321 0.699 1.00 0.00 N ATOM 406 CZ ARG A 29 112.757 -16.829 -0.537 1.00 0.00 C ATOM 407 NH1 ARG A 29 111.913 -16.544 -1.499 1.00 0.00 N ATOM 408 NH2 ARG A 29 113.752 -17.636 -0.790 1.00 0.00 N ATOM 0 H ARG A 29 115.049 -13.160 4.339 1.00 0.00 H new ATOM 0 HA ARG A 29 112.100 -13.242 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 29 112.877 -13.286 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 29 113.828 -14.713 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 111.772 -15.940 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 29 110.801 -14.506 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 29 110.589 -15.874 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 111.594 -14.505 0.481 1.00 0.00 H new ATOM 0 HE ARG A 29 113.324 -16.585 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 29 111.129 -15.916 -1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 29 112.040 -16.950 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 114.418 -17.870 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 29 113.863 -18.032 -1.723 1.00 0.00 H new ATOM 422 N TYR A 30 112.158 -15.446 5.707 1.00 0.00 N ATOM 423 CA TYR A 30 112.218 -16.634 6.557 1.00 0.00 C ATOM 424 C TYR A 30 111.328 -17.738 5.991 1.00 0.00 C ATOM 425 O TYR A 30 110.241 -17.467 5.477 1.00 0.00 O ATOM 426 CB TYR A 30 111.756 -16.284 7.971 1.00 0.00 C ATOM 427 CG TYR A 30 112.572 -15.190 8.618 1.00 0.00 C ATOM 428 CD1 TYR A 30 113.799 -15.496 9.220 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.103 -13.872 8.617 1.00 0.00 C ATOM 430 CE1 TYR A 30 114.556 -14.482 9.820 1.00 0.00 C ATOM 431 CE2 TYR A 30 112.859 -12.858 9.217 1.00 0.00 C ATOM 432 CZ TYR A 30 114.087 -13.163 9.818 1.00 0.00 C ATOM 433 OH TYR A 30 114.832 -12.164 10.409 1.00 0.00 O ATOM 0 H TYR A 30 111.226 -15.041 5.615 1.00 0.00 H new ATOM 0 HA TYR A 30 113.248 -16.988 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.711 -15.975 7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.804 -17.178 8.592 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.161 -16.513 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.157 -13.637 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 30 115.502 -14.718 10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 30 112.496 -11.841 9.217 1.00 0.00 H new ATOM 0 HH TYR A 30 114.363 -11.308 10.318 1.00 0.00 H new ATOM 443 N GLU A 31 111.790 -18.984 6.086 1.00 0.00 N ATOM 444 CA GLU A 31 111.038 -20.117 5.550 1.00 0.00 C ATOM 445 C GLU A 31 110.958 -21.255 6.565 1.00 0.00 C ATOM 446 O GLU A 31 111.896 -21.487 7.328 1.00 0.00 O ATOM 447 CB GLU A 31 111.709 -20.622 4.271 1.00 0.00 C ATOM 448 CG GLU A 31 110.824 -21.683 3.607 1.00 0.00 C ATOM 449 CD GLU A 31 111.489 -22.291 2.366 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.611 -21.924 2.046 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.854 -23.126 1.743 1.00 0.00 O ATOM 0 H GLU A 31 112.676 -19.233 6.526 1.00 0.00 H new ATOM 0 HA GLU A 31 110.025 -19.779 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.876 -19.792 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.687 -21.044 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.605 -22.473 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 31 109.871 -21.235 3.325 1.00 0.00 H new ATOM 458 N GLU A 32 109.830 -21.963 6.568 1.00 0.00 N ATOM 459 CA GLU A 32 109.657 -23.115 7.447 1.00 0.00 C ATOM 460 C GLU A 32 109.875 -24.408 6.667 1.00 0.00 C ATOM 461 O GLU A 32 109.454 -24.525 5.516 1.00 0.00 O ATOM 462 CB GLU A 32 108.252 -23.110 8.051 1.00 0.00 C ATOM 463 CG GLU A 32 108.147 -24.206 9.118 1.00 0.00 C ATOM 464 CD GLU A 32 106.730 -24.312 9.695 1.00 0.00 C ATOM 465 OE1 GLU A 32 105.850 -23.582 9.262 1.00 0.00 O ATOM 466 OE2 GLU A 32 106.545 -25.135 10.576 1.00 0.00 O ATOM 0 H GLU A 32 109.026 -21.759 5.974 1.00 0.00 H new ATOM 0 HA GLU A 32 110.391 -23.054 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 32 108.039 -22.137 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 32 107.509 -23.276 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.434 -25.164 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.852 -23.997 9.923 1.00 0.00 H new ATOM 473 N ASP A 33 110.536 -25.374 7.295 1.00 0.00 N ATOM 474 CA ASP A 33 110.927 -26.595 6.597 1.00 0.00 C ATOM 475 C ASP A 33 109.728 -27.449 6.183 1.00 0.00 C ATOM 476 O ASP A 33 109.676 -27.930 5.052 1.00 0.00 O ATOM 477 CB ASP A 33 111.848 -27.424 7.494 1.00 0.00 C ATOM 478 CG ASP A 33 113.113 -26.635 7.815 1.00 0.00 C ATOM 479 OD1 ASP A 33 114.066 -26.751 7.062 1.00 0.00 O ATOM 480 OD2 ASP A 33 113.110 -25.927 8.808 1.00 0.00 O ATOM 0 H ASP A 33 110.811 -25.338 8.277 1.00 0.00 H new ATOM 0 HA ASP A 33 111.443 -26.292 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 33 111.330 -27.687 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 33 112.109 -28.358 6.997 1.00 0.00 H new ATOM 485 N ASN A 34 108.765 -27.639 7.087 1.00 0.00 N ATOM 486 CA ASN A 34 107.634 -28.529 6.800 1.00 0.00 C ATOM 487 C ASN A 34 106.333 -27.786 6.471 1.00 0.00 C ATOM 488 O ASN A 34 105.385 -28.398 5.978 1.00 0.00 O ATOM 489 CB ASN A 34 107.405 -29.453 8.001 1.00 0.00 C ATOM 490 CG ASN A 34 106.958 -28.656 9.226 1.00 0.00 C ATOM 491 OD1 ASN A 34 107.136 -27.439 9.278 1.00 0.00 O ATOM 492 ND2 ASN A 34 106.383 -29.276 10.220 1.00 0.00 N ATOM 0 H ASN A 34 108.742 -27.199 8.007 1.00 0.00 H new ATOM 0 HA ASN A 34 107.898 -29.098 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 34 106.650 -30.199 7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 34 108.324 -29.993 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 34 106.080 -28.752 11.041 1.00 0.00 H new ATOM 0 HD22 ASN A 34 106.236 -30.284 10.176 1.00 0.00 H new ATOM 499 N SER A 35 106.278 -26.483 6.739 1.00 0.00 N ATOM 500 CA SER A 35 105.096 -25.693 6.406 1.00 0.00 C ATOM 501 C SER A 35 105.512 -24.266 6.038 1.00 0.00 C ATOM 502 O SER A 35 105.274 -23.331 6.809 1.00 0.00 O ATOM 503 CB SER A 35 104.122 -25.692 7.588 1.00 0.00 C ATOM 504 OG SER A 35 103.608 -27.005 7.771 1.00 0.00 O ATOM 0 H SER A 35 107.031 -25.956 7.182 1.00 0.00 H new ATOM 0 HA SER A 35 104.592 -26.136 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 35 104.630 -25.358 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 35 103.307 -24.992 7.403 1.00 0.00 H new ATOM 0 HG SER A 35 102.985 -27.010 8.528 1.00 0.00 H new ATOM 510 N PRO A 36 106.106 -24.063 4.879 1.00 0.00 N ATOM 511 CA PRO A 36 106.720 -22.742 4.555 1.00 0.00 C ATOM 512 C PRO A 36 105.693 -21.658 4.244 1.00 0.00 C ATOM 513 O PRO A 36 104.737 -21.873 3.498 1.00 0.00 O ATOM 514 CB PRO A 36 107.589 -23.033 3.330 1.00 0.00 C ATOM 515 CG PRO A 36 106.941 -24.193 2.656 1.00 0.00 C ATOM 516 CD PRO A 36 106.251 -25.008 3.752 1.00 0.00 C ATOM 0 HA PRO A 36 107.278 -22.348 5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 36 107.637 -22.169 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 36 108.613 -23.268 3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.219 -23.855 1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 36 107.680 -24.798 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 36 105.282 -25.381 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 36 106.846 -25.876 4.036 1.00 0.00 H new ATOM 524 N LEU A 37 105.918 -20.492 4.837 1.00 0.00 N ATOM 525 CA LEU A 37 105.163 -19.288 4.516 1.00 0.00 C ATOM 526 C LEU A 37 106.158 -18.191 4.159 1.00 0.00 C ATOM 527 O LEU A 37 107.153 -18.026 4.869 1.00 0.00 O ATOM 528 CB LEU A 37 104.313 -18.856 5.712 1.00 0.00 C ATOM 529 CG LEU A 37 103.435 -17.669 5.315 1.00 0.00 C ATOM 530 CD1 LEU A 37 102.319 -18.147 4.385 1.00 0.00 C ATOM 531 CD2 LEU A 37 102.820 -17.047 6.571 1.00 0.00 C ATOM 0 H LEU A 37 106.630 -20.355 5.555 1.00 0.00 H new ATOM 0 HA LEU A 37 104.492 -19.480 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.691 -19.686 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 104.956 -18.582 6.548 1.00 0.00 H new ATOM 0 HG LEU A 37 104.043 -16.925 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 101.693 -17.300 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 102.756 -18.590 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.711 -18.892 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.194 -16.201 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 102.213 -17.792 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 37 103.615 -16.705 7.234 1.00 0.00 H new ATOM 543 N GLY A 38 105.903 -17.443 3.086 1.00 0.00 N ATOM 544 CA GLY A 38 106.895 -16.486 2.617 1.00 0.00 C ATOM 545 C GLY A 38 106.638 -15.119 3.228 1.00 0.00 C ATOM 546 O GLY A 38 105.598 -14.510 2.996 1.00 0.00 O ATOM 0 H GLY A 38 105.042 -17.480 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.895 -16.829 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.860 -16.418 1.530 1.00 0.00 H new ATOM 550 N VAL A 39 107.591 -14.640 4.021 1.00 0.00 N ATOM 551 CA VAL A 39 107.487 -13.305 4.596 1.00 0.00 C ATOM 552 C VAL A 39 108.696 -12.491 4.168 1.00 0.00 C ATOM 553 O VAL A 39 109.834 -12.943 4.283 1.00 0.00 O ATOM 554 CB VAL A 39 107.432 -13.389 6.126 1.00 0.00 C ATOM 555 CG1 VAL A 39 107.238 -11.989 6.714 1.00 0.00 C ATOM 556 CG2 VAL A 39 106.260 -14.277 6.554 1.00 0.00 C ATOM 0 H VAL A 39 108.436 -15.151 4.278 1.00 0.00 H new ATOM 0 HA VAL A 39 106.573 -12.827 4.243 1.00 0.00 H new ATOM 0 HB VAL A 39 108.367 -13.814 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 107.199 -12.053 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 39 108.071 -11.351 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 39 106.305 -11.564 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 39 106.225 -14.334 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 39 105.327 -13.853 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 39 106.392 -15.278 6.143 1.00 0.00 H new ATOM 566 N ILE A 40 108.442 -11.288 3.671 1.00 0.00 N ATOM 567 CA ILE A 40 109.520 -10.392 3.267 1.00 0.00 C ATOM 568 C ILE A 40 109.382 -9.071 4.008 1.00 0.00 C ATOM 569 O ILE A 40 108.291 -8.505 4.071 1.00 0.00 O ATOM 570 CB ILE A 40 109.467 -10.150 1.752 1.00 0.00 C ATOM 571 CG1 ILE A 40 109.544 -11.489 1.013 1.00 0.00 C ATOM 572 CG2 ILE A 40 110.648 -9.275 1.325 1.00 0.00 C ATOM 573 CD1 ILE A 40 109.320 -11.264 -0.484 1.00 0.00 C ATOM 0 H ILE A 40 107.504 -10.910 3.538 1.00 0.00 H new ATOM 0 HA ILE A 40 110.478 -10.849 3.514 1.00 0.00 H new ATOM 0 HB ILE A 40 108.532 -9.647 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.516 -11.952 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.793 -12.175 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 40 110.606 -9.106 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 40 110.598 -8.318 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 40 111.582 -9.777 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.375 -12.218 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.337 -10.820 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.088 -10.593 -0.870 1.00 0.00 H new ATOM 585 N GLY A 41 110.486 -8.617 4.592 1.00 0.00 N ATOM 586 CA GLY A 41 110.534 -7.304 5.226 1.00 0.00 C ATOM 587 C GLY A 41 111.641 -6.473 4.593 1.00 0.00 C ATOM 588 O GLY A 41 112.767 -6.948 4.451 1.00 0.00 O ATOM 0 H GLY A 41 111.361 -9.140 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 41 109.575 -6.798 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 110.712 -7.412 6.296 1.00 0.00 H new ATOM 592 N SER A 42 111.312 -5.247 4.193 1.00 0.00 N ATOM 593 CA SER A 42 112.274 -4.390 3.502 1.00 0.00 C ATOM 594 C SER A 42 112.376 -3.022 4.166 1.00 0.00 C ATOM 595 O SER A 42 111.367 -2.424 4.539 1.00 0.00 O ATOM 596 CB SER A 42 111.847 -4.211 2.045 1.00 0.00 C ATOM 597 OG SER A 42 112.907 -3.605 1.319 1.00 0.00 O ATOM 0 H SER A 42 110.394 -4.826 4.334 1.00 0.00 H new ATOM 0 HA SER A 42 113.251 -4.871 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.595 -5.176 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.952 -3.592 1.989 1.00 0.00 H new ATOM 0 HG SER A 42 112.639 -3.490 0.384 1.00 0.00 H new ATOM 603 N PHE A 43 113.605 -2.532 4.311 1.00 0.00 N ATOM 604 CA PHE A 43 113.835 -1.181 4.811 1.00 0.00 C ATOM 605 C PHE A 43 114.419 -0.328 3.693 1.00 0.00 C ATOM 606 O PHE A 43 115.462 -0.667 3.136 1.00 0.00 O ATOM 607 CB PHE A 43 114.806 -1.217 5.992 1.00 0.00 C ATOM 608 CG PHE A 43 115.009 0.130 6.646 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.027 0.979 6.196 1.00 0.00 C ATOM 610 CD2 PHE A 43 114.181 0.526 7.702 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.216 2.227 6.802 1.00 0.00 C ATOM 612 CE2 PHE A 43 114.370 1.774 8.308 1.00 0.00 C ATOM 613 CZ PHE A 43 115.387 2.624 7.858 1.00 0.00 C ATOM 0 H PHE A 43 114.455 -3.050 4.089 1.00 0.00 H new ATOM 0 HA PHE A 43 112.890 -0.753 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 43 114.434 -1.921 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 43 115.769 -1.594 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.666 0.671 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 43 113.397 -0.130 8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.001 2.883 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 43 113.731 2.081 9.123 1.00 0.00 H new ATOM 0 HZ PHE A 43 115.532 3.587 8.326 1.00 0.00 H new ATOM 623 N THR A 44 113.760 0.783 3.368 1.00 0.00 N ATOM 624 CA THR A 44 114.187 1.606 2.238 1.00 0.00 C ATOM 625 C THR A 44 114.579 3.005 2.696 1.00 0.00 C ATOM 626 O THR A 44 113.885 3.618 3.505 1.00 0.00 O ATOM 627 CB THR A 44 113.049 1.708 1.219 1.00 0.00 C ATOM 628 OG1 THR A 44 112.609 0.402 0.875 1.00 0.00 O ATOM 629 CG2 THR A 44 113.544 2.426 -0.038 1.00 0.00 C ATOM 0 H THR A 44 112.939 1.131 3.864 1.00 0.00 H new ATOM 0 HA THR A 44 115.057 1.134 1.782 1.00 0.00 H new ATOM 0 HB THR A 44 112.223 2.272 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.879 0.464 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 44 112.731 2.496 -0.761 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.884 3.428 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.371 1.866 -0.475 1.00 0.00 H new ATOM 637 N TYR A 45 115.693 3.494 2.159 1.00 0.00 N ATOM 638 CA TYR A 45 116.150 4.852 2.433 1.00 0.00 C ATOM 639 C TYR A 45 116.224 5.626 1.125 1.00 0.00 C ATOM 640 O TYR A 45 116.907 5.198 0.194 1.00 0.00 O ATOM 641 CB TYR A 45 117.535 4.813 3.081 1.00 0.00 C ATOM 642 CG TYR A 45 118.076 6.179 3.428 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.842 6.888 2.495 1.00 0.00 C ATOM 644 CD2 TYR A 45 117.815 6.735 4.685 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.344 8.154 2.818 1.00 0.00 C ATOM 646 CE2 TYR A 45 118.316 8.001 5.009 1.00 0.00 C ATOM 647 CZ TYR A 45 119.082 8.710 4.076 1.00 0.00 C ATOM 648 OH TYR A 45 119.576 9.959 4.396 1.00 0.00 O ATOM 0 H TYR A 45 116.298 2.967 1.529 1.00 0.00 H new ATOM 0 HA TYR A 45 115.452 5.340 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.487 4.209 3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.230 4.317 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 45 119.046 6.458 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 45 117.226 6.187 5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.933 8.702 2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 45 118.112 8.431 5.978 1.00 0.00 H new ATOM 0 HH TYR A 45 119.648 10.501 3.582 1.00 0.00 H new ATOM 658 N THR A 46 115.511 6.748 1.048 1.00 0.00 N ATOM 659 CA THR A 46 115.459 7.531 -0.185 1.00 0.00 C ATOM 660 C THR A 46 115.828 8.984 0.084 1.00 0.00 C ATOM 661 O THR A 46 115.451 9.547 1.113 1.00 0.00 O ATOM 662 CB THR A 46 114.050 7.461 -0.773 1.00 0.00 C ATOM 663 OG1 THR A 46 113.669 6.100 -0.926 1.00 0.00 O ATOM 664 CG2 THR A 46 114.021 8.157 -2.135 1.00 0.00 C ATOM 0 H THR A 46 114.965 7.133 1.819 1.00 0.00 H new ATOM 0 HA THR A 46 116.176 7.116 -0.893 1.00 0.00 H new ATOM 0 HB THR A 46 113.354 7.962 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.702 6.014 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 46 113.014 8.104 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.310 9.201 -2.016 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.718 7.662 -2.811 1.00 0.00 H new ATOM 672 N GLU A 47 116.525 9.592 -0.872 1.00 0.00 N ATOM 673 CA GLU A 47 116.981 10.969 -0.734 1.00 0.00 C ATOM 674 C GLU A 47 116.574 11.776 -1.961 1.00 0.00 C ATOM 675 O GLU A 47 116.489 11.236 -3.065 1.00 0.00 O ATOM 676 CB GLU A 47 118.505 10.993 -0.578 1.00 0.00 C ATOM 677 CG GLU A 47 118.975 12.412 -0.234 1.00 0.00 C ATOM 678 CD GLU A 47 120.502 12.504 -0.147 1.00 0.00 C ATOM 679 OE1 GLU A 47 121.178 11.510 -0.377 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.982 13.585 0.153 1.00 0.00 O ATOM 0 H GLU A 47 116.786 9.150 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 47 116.522 11.412 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.809 10.300 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.979 10.658 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.612 13.108 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 47 118.538 12.718 0.717 1.00 0.00 H new ATOM 687 N LYS A 48 116.310 13.062 -1.751 1.00 0.00 N ATOM 688 CA LYS A 48 115.876 13.941 -2.830 1.00 0.00 C ATOM 689 C LYS A 48 117.075 14.530 -3.562 1.00 0.00 C ATOM 690 O LYS A 48 118.058 14.934 -2.940 1.00 0.00 O ATOM 691 CB LYS A 48 115.023 15.073 -2.253 1.00 0.00 C ATOM 692 CG LYS A 48 114.428 15.905 -3.390 1.00 0.00 C ATOM 693 CD LYS A 48 113.652 17.086 -2.805 1.00 0.00 C ATOM 694 CE LYS A 48 112.927 17.833 -3.927 1.00 0.00 C ATOM 695 NZ LYS A 48 112.186 18.991 -3.355 1.00 0.00 N ATOM 0 H LYS A 48 116.389 13.518 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 48 115.288 13.358 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.225 14.661 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.631 15.706 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.221 16.266 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 48 113.768 15.288 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.933 16.731 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 48 114.334 17.761 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.645 18.179 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 48 112.236 17.162 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 111.693 19.499 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 111.491 18.650 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.856 19.635 -2.887 1.00 0.00 H new ATOM 709 N SER A 49 116.990 14.575 -4.888 1.00 0.00 N ATOM 710 CA SER A 49 118.072 15.126 -5.696 1.00 0.00 C ATOM 711 C SER A 49 117.897 16.631 -5.863 1.00 0.00 C ATOM 712 O SER A 49 116.774 17.138 -5.865 1.00 0.00 O ATOM 713 CB SER A 49 118.091 14.455 -7.069 1.00 0.00 C ATOM 714 OG SER A 49 116.982 14.914 -7.829 1.00 0.00 O ATOM 0 H SER A 49 116.189 14.239 -5.423 1.00 0.00 H new ATOM 0 HA SER A 49 119.017 14.935 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 49 119.022 14.685 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 49 118.048 13.372 -6.958 1.00 0.00 H new ATOM 0 HG SER A 49 116.199 14.357 -7.635 1.00 0.00 H new ATOM 720 N ARG A 50 119.012 17.342 -6.004 1.00 0.00 N ATOM 721 CA ARG A 50 118.971 18.794 -6.141 1.00 0.00 C ATOM 722 C ARG A 50 119.157 19.206 -7.597 1.00 0.00 C ATOM 723 O ARG A 50 120.002 18.658 -8.306 1.00 0.00 O ATOM 724 CB ARG A 50 120.072 19.425 -5.287 1.00 0.00 C ATOM 725 CG ARG A 50 119.922 20.948 -5.303 1.00 0.00 C ATOM 726 CD ARG A 50 120.976 21.574 -4.388 1.00 0.00 C ATOM 727 NE ARG A 50 122.314 21.400 -4.963 1.00 0.00 N ATOM 728 CZ ARG A 50 123.446 21.511 -4.251 1.00 0.00 C ATOM 729 NH1 ARG A 50 123.442 21.791 -2.970 1.00 0.00 N ATOM 730 NH2 ARG A 50 124.590 21.335 -4.854 1.00 0.00 N ATOM 0 H ARG A 50 119.949 16.940 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 50 117.996 19.144 -5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 50 120.011 19.054 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 50 121.052 19.142 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 50 120.037 21.325 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 50 118.923 21.229 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 50 120.766 22.635 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 50 120.933 21.111 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 50 122.388 21.183 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 50 122.558 21.932 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 50 124.323 21.867 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 50 124.613 21.117 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 50 125.461 21.415 -4.329 1.00 0.00 H new ATOM 744 N THR A 51 118.362 20.177 -8.035 1.00 0.00 N ATOM 745 CA THR A 51 118.458 20.688 -9.398 1.00 0.00 C ATOM 746 C THR A 51 118.378 22.213 -9.404 1.00 0.00 C ATOM 747 O THR A 51 117.707 22.809 -8.561 1.00 0.00 O ATOM 748 CB THR A 51 117.340 20.090 -10.260 1.00 0.00 C ATOM 749 OG1 THR A 51 117.483 20.542 -11.598 1.00 0.00 O ATOM 750 CG2 THR A 51 115.968 20.502 -9.717 1.00 0.00 C ATOM 0 H THR A 51 117.644 20.626 -7.466 1.00 0.00 H new ATOM 0 HA THR A 51 119.421 20.395 -9.816 1.00 0.00 H new ATOM 0 HB THR A 51 117.413 19.003 -10.231 1.00 0.00 H new ATOM 0 HG1 THR A 51 116.770 20.159 -12.151 1.00 0.00 H new ATOM 0 HG21 THR A 51 115.185 20.069 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 51 115.858 20.142 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 51 115.883 21.589 -9.730 1.00 0.00 H new ATOM 758 N ALA A 52 119.064 22.838 -10.355 1.00 0.00 N ATOM 759 CA ALA A 52 119.065 24.293 -10.446 1.00 0.00 C ATOM 760 C ALA A 52 117.948 24.776 -11.365 1.00 0.00 C ATOM 761 O ALA A 52 117.873 24.380 -12.528 1.00 0.00 O ATOM 762 CB ALA A 52 120.413 24.782 -10.978 1.00 0.00 C ATOM 0 H ALA A 52 119.621 22.365 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 52 118.899 24.699 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 120.405 25.870 -11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 52 121.208 24.464 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 120.588 24.361 -11.968 1.00 0.00 H new ATOM 768 N SER A 53 117.089 25.641 -10.837 1.00 0.00 N ATOM 769 CA SER A 53 115.989 26.194 -11.620 1.00 0.00 C ATOM 770 C SER A 53 115.234 27.243 -10.810 1.00 0.00 C ATOM 771 O SER A 53 115.272 28.432 -11.129 1.00 0.00 O ATOM 772 CB SER A 53 115.029 25.080 -12.042 1.00 0.00 C ATOM 773 OG SER A 53 114.283 25.512 -13.172 1.00 0.00 O ATOM 0 H SER A 53 117.132 25.974 -9.874 1.00 0.00 H new ATOM 0 HA SER A 53 116.404 26.666 -12.511 1.00 0.00 H new ATOM 0 HB2 SER A 53 115.586 24.175 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 53 114.357 24.831 -11.221 1.00 0.00 H new ATOM 0 HG SER A 53 113.667 24.802 -13.448 1.00 0.00 H new ATOM 779 N SER A 54 114.549 26.797 -9.762 1.00 0.00 N ATOM 780 CA SER A 54 113.797 27.709 -8.905 1.00 0.00 C ATOM 781 C SER A 54 114.721 28.693 -8.184 1.00 0.00 C ATOM 782 O SER A 54 114.343 29.838 -7.936 1.00 0.00 O ATOM 783 CB SER A 54 113.001 26.911 -7.874 1.00 0.00 C ATOM 784 OG SER A 54 113.903 26.275 -6.978 1.00 0.00 O ATOM 0 H SER A 54 114.498 25.816 -9.486 1.00 0.00 H new ATOM 0 HA SER A 54 113.119 28.281 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.329 27.571 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.380 26.167 -8.373 1.00 0.00 H new ATOM 0 HG SER A 54 113.457 26.121 -6.119 1.00 0.00 H new ATOM 790 N GLY A 55 115.929 28.247 -7.848 1.00 0.00 N ATOM 791 CA GLY A 55 116.887 29.103 -7.150 1.00 0.00 C ATOM 792 C GLY A 55 116.918 28.868 -5.632 1.00 0.00 C ATOM 793 O GLY A 55 117.770 29.429 -4.944 1.00 0.00 O ATOM 0 H GLY A 55 116.267 27.305 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 117.883 28.930 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 116.640 30.147 -7.344 1.00 0.00 H new ATOM 797 N ASP A 56 116.006 28.049 -5.105 1.00 0.00 N ATOM 798 CA ASP A 56 115.981 27.760 -3.674 1.00 0.00 C ATOM 799 C ASP A 56 116.510 26.356 -3.399 1.00 0.00 C ATOM 800 O ASP A 56 116.651 25.546 -4.315 1.00 0.00 O ATOM 801 CB ASP A 56 114.551 27.894 -3.138 1.00 0.00 C ATOM 802 CG ASP A 56 113.583 26.958 -3.866 1.00 0.00 C ATOM 803 OD1 ASP A 56 114.031 26.011 -4.493 1.00 0.00 O ATOM 804 OD2 ASP A 56 112.391 27.205 -3.782 1.00 0.00 O ATOM 0 H ASP A 56 115.280 27.578 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 56 116.624 28.478 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 56 114.540 27.671 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 56 114.215 28.925 -3.251 1.00 0.00 H new ATOM 809 N TYR A 57 116.802 26.072 -2.132 1.00 0.00 N ATOM 810 CA TYR A 57 117.309 24.758 -1.742 1.00 0.00 C ATOM 811 C TYR A 57 116.321 24.057 -0.814 1.00 0.00 C ATOM 812 O TYR A 57 115.880 24.627 0.183 1.00 0.00 O ATOM 813 CB TYR A 57 118.652 24.914 -1.026 1.00 0.00 C ATOM 814 CG TYR A 57 119.716 25.561 -1.881 1.00 0.00 C ATOM 815 CD1 TYR A 57 120.550 24.769 -2.679 1.00 0.00 C ATOM 816 CD2 TYR A 57 119.869 26.953 -1.875 1.00 0.00 C ATOM 817 CE1 TYR A 57 121.537 25.369 -3.471 1.00 0.00 C ATOM 818 CE2 TYR A 57 120.856 27.552 -2.667 1.00 0.00 C ATOM 819 CZ TYR A 57 121.690 26.760 -3.465 1.00 0.00 C ATOM 820 OH TYR A 57 122.662 27.352 -4.246 1.00 0.00 O ATOM 0 H TYR A 57 116.697 26.731 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 57 117.439 24.156 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 57 118.508 25.510 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 57 119.001 23.932 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 57 120.432 23.695 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 57 119.226 27.564 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 57 122.180 24.758 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 57 120.974 28.626 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 57 122.632 28.324 -4.125 1.00 0.00 H new ATOM 830 N ASN A 58 115.978 22.819 -1.153 1.00 0.00 N ATOM 831 CA ASN A 58 115.057 22.041 -0.332 1.00 0.00 C ATOM 832 C ASN A 58 115.445 20.565 -0.344 1.00 0.00 C ATOM 833 O ASN A 58 115.404 19.913 -1.386 1.00 0.00 O ATOM 834 CB ASN A 58 113.628 22.199 -0.859 1.00 0.00 C ATOM 835 CG ASN A 58 112.628 21.694 0.176 1.00 0.00 C ATOM 836 OD1 ASN A 58 112.924 21.671 1.371 1.00 0.00 O ATOM 837 ND2 ASN A 58 111.452 21.284 -0.215 1.00 0.00 N ATOM 0 H ASN A 58 116.320 22.336 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 58 115.110 22.411 0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 58 113.430 23.246 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 58 113.512 21.643 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 58 110.777 20.944 0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 58 111.208 21.304 -1.205 1.00 0.00 H new ATOM 844 N LYS A 59 115.821 20.045 0.821 1.00 0.00 N ATOM 845 CA LYS A 59 116.194 18.639 0.934 1.00 0.00 C ATOM 846 C LYS A 59 115.060 17.835 1.563 1.00 0.00 C ATOM 847 O LYS A 59 114.559 18.187 2.630 1.00 0.00 O ATOM 848 CB LYS A 59 117.453 18.501 1.792 1.00 0.00 C ATOM 849 CG LYS A 59 118.627 19.192 1.096 1.00 0.00 C ATOM 850 CD LYS A 59 119.907 18.962 1.902 1.00 0.00 C ATOM 851 CE LYS A 59 121.056 19.753 1.274 1.00 0.00 C ATOM 852 NZ LYS A 59 122.339 19.367 1.926 1.00 0.00 N ATOM 0 H LYS A 59 115.875 20.571 1.693 1.00 0.00 H new ATOM 0 HA LYS A 59 116.390 18.252 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 59 117.287 18.945 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 59 117.682 17.448 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 118.746 18.800 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 59 118.430 20.260 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 59 119.759 19.274 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 59 120.151 17.900 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 121.106 19.555 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 120.883 20.823 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 123.121 19.904 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 122.289 19.578 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 122.505 18.349 1.791 1.00 0.00 H new ATOM 866 N ASN A 60 114.663 16.755 0.896 1.00 0.00 N ATOM 867 CA ASN A 60 113.596 15.895 1.399 1.00 0.00 C ATOM 868 C ASN A 60 114.072 14.448 1.479 1.00 0.00 C ATOM 869 O ASN A 60 114.565 13.895 0.496 1.00 0.00 O ATOM 870 CB ASN A 60 112.377 15.979 0.476 1.00 0.00 C ATOM 871 CG ASN A 60 111.149 15.349 1.132 1.00 0.00 C ATOM 872 OD1 ASN A 60 111.253 14.685 2.165 1.00 0.00 O ATOM 873 ND2 ASN A 60 109.976 15.519 0.586 1.00 0.00 N ATOM 0 H ASN A 60 115.063 16.455 0.007 1.00 0.00 H new ATOM 0 HA ASN A 60 113.321 16.235 2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 60 112.170 17.022 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 112.592 15.471 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 109.149 15.103 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 60 109.886 16.068 -0.269 1.00 0.00 H new ATOM 880 N GLN A 61 113.924 13.837 2.652 1.00 0.00 N ATOM 881 CA GLN A 61 114.344 12.450 2.837 1.00 0.00 C ATOM 882 C GLN A 61 113.245 11.668 3.543 1.00 0.00 C ATOM 883 O GLN A 61 112.482 12.247 4.315 1.00 0.00 O ATOM 884 CB GLN A 61 115.626 12.401 3.672 1.00 0.00 C ATOM 885 CG GLN A 61 116.757 13.114 2.917 1.00 0.00 C ATOM 886 CD GLN A 61 118.123 12.992 3.611 1.00 0.00 C ATOM 887 OE1 GLN A 61 119.115 13.481 3.070 1.00 0.00 O ATOM 888 NE2 GLN A 61 118.268 12.387 4.765 1.00 0.00 N ATOM 0 H GLN A 61 113.521 14.274 3.481 1.00 0.00 H new ATOM 0 HA GLN A 61 114.534 12.004 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 61 115.462 12.879 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 61 115.904 11.366 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 61 116.830 12.700 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 61 116.504 14.169 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 61 117.459 11.975 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 61 119.190 12.328 5.198 1.00 0.00 H new ATOM 897 N TYR A 62 113.159 10.366 3.274 1.00 0.00 N ATOM 898 CA TYR A 62 112.137 9.548 3.918 1.00 0.00 C ATOM 899 C TYR A 62 112.576 8.097 4.077 1.00 0.00 C ATOM 900 O TYR A 62 113.453 7.611 3.362 1.00 0.00 O ATOM 901 CB TYR A 62 110.819 9.626 3.139 1.00 0.00 C ATOM 902 CG TYR A 62 110.845 8.974 1.777 1.00 0.00 C ATOM 903 CD1 TYR A 62 110.584 7.603 1.650 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.096 9.746 0.636 1.00 0.00 C ATOM 905 CE1 TYR A 62 110.578 7.006 0.384 1.00 0.00 C ATOM 906 CE2 TYR A 62 111.094 9.149 -0.630 1.00 0.00 C ATOM 907 CZ TYR A 62 110.834 7.778 -0.756 1.00 0.00 C ATOM 908 OH TYR A 62 110.827 7.189 -2.004 1.00 0.00 O ATOM 0 H TYR A 62 113.770 9.865 2.629 1.00 0.00 H new ATOM 0 HA TYR A 62 111.984 9.951 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 62 110.034 9.159 3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 62 110.547 10.675 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 62 110.387 7.007 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.291 10.804 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.376 5.950 0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 62 111.293 9.745 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 62 110.260 7.712 -2.609 1.00 0.00 H new ATOM 918 N TYR A 63 111.946 7.424 5.037 1.00 0.00 N ATOM 919 CA TYR A 63 112.232 6.021 5.320 1.00 0.00 C ATOM 920 C TYR A 63 110.941 5.223 5.176 1.00 0.00 C ATOM 921 O TYR A 63 109.886 5.699 5.587 1.00 0.00 O ATOM 922 CB TYR A 63 112.756 5.863 6.751 1.00 0.00 C ATOM 923 CG TYR A 63 113.853 6.834 7.120 1.00 0.00 C ATOM 924 CD1 TYR A 63 113.523 8.091 7.641 1.00 0.00 C ATOM 925 CD2 TYR A 63 115.197 6.475 6.955 1.00 0.00 C ATOM 926 CE1 TYR A 63 114.535 8.992 7.993 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.209 7.377 7.308 1.00 0.00 C ATOM 928 CZ TYR A 63 115.878 8.634 7.827 1.00 0.00 C ATOM 929 OH TYR A 63 116.876 9.522 8.174 1.00 0.00 O ATOM 0 H TYR A 63 111.229 7.832 5.636 1.00 0.00 H new ATOM 0 HA TYR A 63 112.988 5.660 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 63 111.926 5.989 7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.128 4.846 6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 63 112.487 8.366 7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.453 5.504 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 63 114.280 9.962 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 63 117.246 7.102 7.180 1.00 0.00 H new ATOM 0 HH TYR A 63 117.751 9.117 7.997 1.00 0.00 H new ATOM 939 N GLY A 64 111.016 4.020 4.610 1.00 0.00 N ATOM 940 CA GLY A 64 109.811 3.225 4.374 1.00 0.00 C ATOM 941 C GLY A 64 109.941 1.823 4.956 1.00 0.00 C ATOM 942 O GLY A 64 110.979 1.178 4.808 1.00 0.00 O ATOM 0 H GLY A 64 111.885 3.578 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 64 108.951 3.726 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 64 109.622 3.159 3.303 1.00 0.00 H new ATOM 946 N ILE A 65 108.880 1.363 5.618 1.00 0.00 N ATOM 947 CA ILE A 65 108.846 0.012 6.171 1.00 0.00 C ATOM 948 C ILE A 65 107.747 -0.782 5.476 1.00 0.00 C ATOM 949 O ILE A 65 106.603 -0.332 5.423 1.00 0.00 O ATOM 950 CB ILE A 65 108.570 0.056 7.679 1.00 0.00 C ATOM 951 CG1 ILE A 65 109.573 0.977 8.393 1.00 0.00 C ATOM 952 CG2 ILE A 65 108.670 -1.357 8.257 1.00 0.00 C ATOM 953 CD1 ILE A 65 111.015 0.509 8.164 1.00 0.00 C ATOM 0 H ILE A 65 108.033 1.907 5.784 1.00 0.00 H new ATOM 0 HA ILE A 65 109.813 -0.464 6.008 1.00 0.00 H new ATOM 0 HB ILE A 65 107.566 0.451 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 65 109.457 1.998 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 65 109.359 0.994 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 108.474 -1.326 9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 65 107.936 -2.001 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 65 109.671 -1.752 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 65 111.702 1.180 8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 65 111.135 -0.503 8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 65 111.235 0.517 7.096 1.00 0.00 H new ATOM 965 N THR A 66 108.094 -1.950 4.939 1.00 0.00 N ATOM 966 CA THR A 66 107.127 -2.762 4.202 1.00 0.00 C ATOM 967 C THR A 66 107.127 -4.205 4.699 1.00 0.00 C ATOM 968 O THR A 66 108.101 -4.674 5.287 1.00 0.00 O ATOM 969 CB THR A 66 107.463 -2.749 2.709 1.00 0.00 C ATOM 970 OG1 THR A 66 108.733 -3.352 2.506 1.00 0.00 O ATOM 971 CG2 THR A 66 107.490 -1.310 2.186 1.00 0.00 C ATOM 0 H THR A 66 109.029 -2.353 4.999 1.00 0.00 H new ATOM 0 HA THR A 66 106.138 -2.334 4.366 1.00 0.00 H new ATOM 0 HB THR A 66 106.700 -3.308 2.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.814 -3.637 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.730 -1.314 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 66 106.513 -0.850 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.246 -0.740 2.727 1.00 0.00 H new ATOM 979 N ALA A 67 106.019 -4.898 4.454 1.00 0.00 N ATOM 980 CA ALA A 67 105.916 -6.315 4.777 1.00 0.00 C ATOM 981 C ALA A 67 104.903 -6.965 3.843 1.00 0.00 C ATOM 982 O ALA A 67 103.935 -6.311 3.447 1.00 0.00 O ATOM 983 CB ALA A 67 105.472 -6.496 6.230 1.00 0.00 C ATOM 0 H ALA A 67 105.180 -4.500 4.032 1.00 0.00 H new ATOM 0 HA ALA A 67 106.891 -6.786 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 67 105.399 -7.559 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 67 106.201 -6.032 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 67 104.499 -6.026 6.374 1.00 0.00 H new ATOM 989 N GLY A 68 105.141 -8.220 3.455 1.00 0.00 N ATOM 990 CA GLY A 68 104.209 -8.891 2.552 1.00 0.00 C ATOM 991 C GLY A 68 104.294 -10.425 2.604 1.00 0.00 C ATOM 992 O GLY A 68 105.366 -10.965 2.879 1.00 0.00 O ATOM 0 H GLY A 68 105.946 -8.777 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 68 103.193 -8.584 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.403 -8.560 1.532 1.00 0.00 H new ATOM 996 N PRO A 69 103.204 -11.137 2.362 1.00 0.00 N ATOM 997 CA PRO A 69 103.243 -12.627 2.211 1.00 0.00 C ATOM 998 C PRO A 69 103.814 -13.061 0.859 1.00 0.00 C ATOM 999 O PRO A 69 103.864 -12.258 -0.079 1.00 0.00 O ATOM 1000 CB PRO A 69 101.782 -13.057 2.343 1.00 0.00 C ATOM 1001 CG PRO A 69 100.996 -11.891 1.853 1.00 0.00 C ATOM 1002 CD PRO A 69 101.819 -10.647 2.179 1.00 0.00 C ATOM 0 HA PRO A 69 103.894 -13.086 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.577 -13.949 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 69 101.532 -13.296 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.816 -11.967 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 69 100.021 -11.849 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.763 -9.915 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 69 101.452 -10.157 3.081 1.00 0.00 H new ATOM 1010 N ALA A 70 104.213 -14.332 0.746 1.00 0.00 N ATOM 1011 CA ALA A 70 104.754 -14.841 -0.513 1.00 0.00 C ATOM 1012 C ALA A 70 104.232 -16.253 -0.786 1.00 0.00 C ATOM 1013 O ALA A 70 103.864 -16.978 0.138 1.00 0.00 O ATOM 1014 CB ALA A 70 106.291 -14.827 -0.475 1.00 0.00 C ATOM 0 H ALA A 70 104.172 -15.017 1.501 1.00 0.00 H new ATOM 0 HA ALA A 70 104.423 -14.192 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 70 106.682 -15.208 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 70 106.642 -13.806 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 70 106.640 -15.456 0.343 1.00 0.00 H new ATOM 1020 N TYR A 71 104.201 -16.633 -2.062 1.00 0.00 N ATOM 1021 CA TYR A 71 103.729 -17.956 -2.458 1.00 0.00 C ATOM 1022 C TYR A 71 104.830 -18.678 -3.224 1.00 0.00 C ATOM 1023 O TYR A 71 105.413 -18.115 -4.151 1.00 0.00 O ATOM 1024 CB TYR A 71 102.487 -17.825 -3.341 1.00 0.00 C ATOM 1025 CG TYR A 71 101.875 -19.153 -3.718 1.00 0.00 C ATOM 1026 CD1 TYR A 71 100.972 -19.780 -2.850 1.00 0.00 C ATOM 1027 CD2 TYR A 71 102.210 -19.758 -4.936 1.00 0.00 C ATOM 1028 CE1 TYR A 71 100.405 -21.011 -3.200 1.00 0.00 C ATOM 1029 CE2 TYR A 71 101.642 -20.990 -5.285 1.00 0.00 C ATOM 1030 CZ TYR A 71 100.739 -21.616 -4.418 1.00 0.00 C ATOM 1031 OH TYR A 71 100.179 -22.829 -4.762 1.00 0.00 O ATOM 0 H TYR A 71 104.498 -16.042 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 71 103.471 -18.527 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 71 101.741 -17.225 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 71 102.752 -17.285 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 71 100.713 -19.314 -1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 71 102.906 -19.275 -5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 71 99.709 -21.495 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 71 101.901 -21.457 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 71 100.516 -23.108 -5.639 1.00 0.00 H new ATOM 1041 N ARG A 72 105.117 -19.916 -2.828 1.00 0.00 N ATOM 1042 CA ARG A 72 106.200 -20.679 -3.443 1.00 0.00 C ATOM 1043 C ARG A 72 105.655 -21.877 -4.212 1.00 0.00 C ATOM 1044 O ARG A 72 104.826 -22.633 -3.705 1.00 0.00 O ATOM 1045 CB ARG A 72 107.163 -21.168 -2.358 1.00 0.00 C ATOM 1046 CG ARG A 72 108.378 -21.834 -3.007 1.00 0.00 C ATOM 1047 CD ARG A 72 109.278 -22.427 -1.921 1.00 0.00 C ATOM 1048 NE ARG A 72 109.752 -21.370 -1.023 1.00 0.00 N ATOM 1049 CZ ARG A 72 110.862 -20.651 -1.247 1.00 0.00 C ATOM 1050 NH1 ARG A 72 111.617 -20.838 -2.302 1.00 0.00 N ATOM 1051 NH2 ARG A 72 111.203 -19.733 -0.384 1.00 0.00 N ATOM 0 H ARG A 72 104.618 -20.410 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 72 106.725 -20.028 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.483 -20.330 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 72 106.657 -21.875 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 72 108.054 -22.617 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 72 108.934 -21.105 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 72 108.728 -23.177 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 72 110.128 -22.933 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 72 109.209 -21.171 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 72 111.368 -21.551 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 72 112.454 -20.271 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 72 110.629 -19.573 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 72 112.044 -19.176 -0.537 1.00 0.00 H new ATOM 1065 N ILE A 73 106.133 -22.038 -5.443 1.00 0.00 N ATOM 1066 CA ILE A 73 105.778 -23.191 -6.265 1.00 0.00 C ATOM 1067 C ILE A 73 107.053 -23.877 -6.751 1.00 0.00 C ATOM 1068 O ILE A 73 108.061 -23.222 -7.017 1.00 0.00 O ATOM 1069 CB ILE A 73 104.896 -22.745 -7.441 1.00 0.00 C ATOM 1070 CG1 ILE A 73 104.526 -23.952 -8.310 1.00 0.00 C ATOM 1071 CG2 ILE A 73 105.628 -21.705 -8.292 1.00 0.00 C ATOM 1072 CD1 ILE A 73 103.375 -23.575 -9.245 1.00 0.00 C ATOM 0 H ILE A 73 106.770 -21.381 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 73 105.206 -23.907 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 73 103.986 -22.298 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 73 105.390 -24.273 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 73 104.236 -24.792 -7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 73 104.990 -21.399 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 73 105.867 -20.836 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 73 106.549 -22.138 -8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 73 103.112 -24.434 -9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 73 102.510 -23.275 -8.654 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.682 -22.748 -9.885 1.00 0.00 H new ATOM 1084 N ASN A 74 107.011 -25.202 -6.843 1.00 0.00 N ATOM 1085 CA ASN A 74 108.202 -25.970 -7.186 1.00 0.00 C ATOM 1086 C ASN A 74 108.469 -25.943 -8.687 1.00 0.00 C ATOM 1087 O ASN A 74 107.546 -26.028 -9.498 1.00 0.00 O ATOM 1088 CB ASN A 74 108.035 -27.419 -6.725 1.00 0.00 C ATOM 1089 CG ASN A 74 107.787 -27.464 -5.221 1.00 0.00 C ATOM 1090 OD1 ASN A 74 106.886 -28.164 -4.760 1.00 0.00 O ATOM 1091 ND2 ASN A 74 108.537 -26.754 -4.424 1.00 0.00 N ATOM 0 H ASN A 74 106.173 -25.762 -6.686 1.00 0.00 H new ATOM 0 HA ASN A 74 109.052 -25.514 -6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 74 107.202 -27.883 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 74 108.928 -27.993 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.377 -26.779 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 74 109.283 -26.174 -4.808 1.00 0.00 H new ATOM 1098 N ASP A 75 109.745 -25.825 -9.043 1.00 0.00 N ATOM 1099 CA ASP A 75 110.155 -25.867 -10.442 1.00 0.00 C ATOM 1100 C ASP A 75 109.477 -24.763 -11.257 1.00 0.00 C ATOM 1101 O ASP A 75 108.961 -25.003 -12.351 1.00 0.00 O ATOM 1102 CB ASP A 75 109.826 -27.244 -11.028 1.00 0.00 C ATOM 1103 CG ASP A 75 110.573 -28.329 -10.260 1.00 0.00 C ATOM 1104 OD1 ASP A 75 111.684 -28.646 -10.650 1.00 0.00 O ATOM 1105 OD2 ASP A 75 110.022 -28.827 -9.292 1.00 0.00 O ATOM 0 H ASP A 75 110.512 -25.700 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 75 111.230 -25.697 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 75 108.752 -27.424 -10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 75 110.104 -27.276 -12.082 1.00 0.00 H new ATOM 1110 N TRP A 76 109.489 -23.543 -10.723 1.00 0.00 N ATOM 1111 CA TRP A 76 108.934 -22.405 -11.447 1.00 0.00 C ATOM 1112 C TRP A 76 109.468 -21.081 -10.890 1.00 0.00 C ATOM 1113 O TRP A 76 110.392 -20.502 -11.460 1.00 0.00 O ATOM 1114 CB TRP A 76 107.402 -22.450 -11.398 1.00 0.00 C ATOM 1115 CG TRP A 76 106.751 -21.384 -12.219 1.00 0.00 C ATOM 1116 CD1 TRP A 76 106.159 -20.273 -11.725 1.00 0.00 C ATOM 1117 CD2 TRP A 76 106.614 -21.308 -13.670 1.00 0.00 C ATOM 1118 NE1 TRP A 76 105.667 -19.520 -12.775 1.00 0.00 N ATOM 1119 CE2 TRP A 76 105.922 -20.116 -13.994 1.00 0.00 C ATOM 1120 CE3 TRP A 76 107.018 -22.149 -14.722 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 105.642 -19.771 -15.319 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 106.738 -21.806 -16.052 1.00 0.00 C ATOM 1123 CH2 TRP A 76 106.052 -20.621 -16.352 1.00 0.00 C ATOM 0 H TRP A 76 109.872 -23.320 -9.804 1.00 0.00 H new ATOM 0 HA TRP A 76 109.249 -22.469 -12.488 1.00 0.00 H new ATOM 0 HB2 TRP A 76 107.063 -23.425 -11.747 1.00 0.00 H new ATOM 0 HB3 TRP A 76 107.076 -22.351 -10.363 1.00 0.00 H new ATOM 0 HD1 TRP A 76 106.083 -20.015 -10.679 1.00 0.00 H new ATOM 0 HE1 TRP A 76 105.176 -18.633 -12.663 1.00 0.00 H new ATOM 0 HE3 TRP A 76 107.547 -23.065 -14.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 105.114 -18.856 -15.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 107.053 -22.460 -16.852 1.00 0.00 H new ATOM 0 HH2 TRP A 76 105.840 -20.364 -17.379 1.00 0.00 H new ATOM 1134 N ALA A 77 108.898 -20.597 -9.784 1.00 0.00 N ATOM 1135 CA ALA A 77 109.335 -19.331 -9.195 1.00 0.00 C ATOM 1136 C ALA A 77 108.487 -18.983 -7.976 1.00 0.00 C ATOM 1137 O ALA A 77 107.567 -19.718 -7.616 1.00 0.00 O ATOM 1138 CB ALA A 77 109.226 -18.196 -10.219 1.00 0.00 C ATOM 0 H ALA A 77 108.139 -21.059 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 77 110.375 -19.447 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 77 109.555 -17.262 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.855 -18.421 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 77 108.190 -18.096 -10.543 1.00 0.00 H new ATOM 1144 N SER A 78 108.808 -17.859 -7.339 1.00 0.00 N ATOM 1145 CA SER A 78 108.048 -17.387 -6.184 1.00 0.00 C ATOM 1146 C SER A 78 107.545 -15.969 -6.436 1.00 0.00 C ATOM 1147 O SER A 78 108.191 -15.194 -7.142 1.00 0.00 O ATOM 1148 CB SER A 78 108.931 -17.404 -4.936 1.00 0.00 C ATOM 1149 OG SER A 78 109.404 -18.726 -4.718 1.00 0.00 O ATOM 0 H SER A 78 109.589 -17.258 -7.603 1.00 0.00 H new ATOM 0 HA SER A 78 107.195 -18.048 -6.029 1.00 0.00 H new ATOM 0 HB2 SER A 78 109.771 -16.720 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 108.365 -17.060 -4.070 1.00 0.00 H new ATOM 0 HG SER A 78 109.972 -18.743 -3.920 1.00 0.00 H new ATOM 1155 N ILE A 79 106.394 -15.628 -5.861 1.00 0.00 N ATOM 1156 CA ILE A 79 105.823 -14.295 -6.051 1.00 0.00 C ATOM 1157 C ILE A 79 105.439 -13.696 -4.704 1.00 0.00 C ATOM 1158 O ILE A 79 105.132 -14.435 -3.771 1.00 0.00 O ATOM 1159 CB ILE A 79 104.598 -14.380 -6.971 1.00 0.00 C ATOM 1160 CG1 ILE A 79 103.517 -15.264 -6.335 1.00 0.00 C ATOM 1161 CG2 ILE A 79 105.013 -14.982 -8.317 1.00 0.00 C ATOM 1162 CD1 ILE A 79 102.244 -15.201 -7.181 1.00 0.00 C ATOM 0 H ILE A 79 105.843 -16.247 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 79 106.566 -13.649 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 79 104.198 -13.377 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 79 103.869 -16.293 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 79 103.308 -14.928 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 79 104.144 -15.043 -8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 79 105.772 -14.351 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 79 105.419 -15.981 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.476 -15.829 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 79 101.889 -14.171 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 79 102.459 -15.558 -8.188 1.00 0.00 H new ATOM 1174 N TYR A 80 105.456 -12.369 -4.603 1.00 0.00 N ATOM 1175 CA TYR A 80 105.087 -11.722 -3.350 1.00 0.00 C ATOM 1176 C TYR A 80 104.423 -10.373 -3.596 1.00 0.00 C ATOM 1177 O TYR A 80 104.599 -9.770 -4.652 1.00 0.00 O ATOM 1178 CB TYR A 80 106.334 -11.546 -2.475 1.00 0.00 C ATOM 1179 CG TYR A 80 107.325 -10.531 -2.999 1.00 0.00 C ATOM 1180 CD1 TYR A 80 108.283 -10.912 -3.946 1.00 0.00 C ATOM 1181 CD2 TYR A 80 107.288 -9.211 -2.535 1.00 0.00 C ATOM 1182 CE1 TYR A 80 109.202 -9.974 -4.431 1.00 0.00 C ATOM 1183 CE2 TYR A 80 108.206 -8.271 -3.020 1.00 0.00 C ATOM 1184 CZ TYR A 80 109.163 -8.653 -3.967 1.00 0.00 C ATOM 1185 OH TYR A 80 110.068 -7.728 -4.445 1.00 0.00 O ATOM 0 H TYR A 80 105.716 -11.733 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 80 104.367 -12.358 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 80 106.022 -11.248 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 80 106.835 -12.509 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 80 108.313 -11.931 -4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 80 106.551 -8.917 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 80 109.940 -10.269 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 80 108.175 -7.252 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 80 109.903 -6.860 -4.022 1.00 0.00 H new ATOM 1195 N GLY A 81 103.674 -9.906 -2.605 1.00 0.00 N ATOM 1196 CA GLY A 81 103.123 -8.555 -2.655 1.00 0.00 C ATOM 1197 C GLY A 81 103.244 -7.908 -1.284 1.00 0.00 C ATOM 1198 O GLY A 81 103.056 -8.577 -0.271 1.00 0.00 O ATOM 0 H GLY A 81 103.435 -10.434 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 81 103.655 -7.961 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 81 102.078 -8.588 -2.963 1.00 0.00 H new ATOM 1202 N VAL A 82 103.480 -6.600 -1.255 1.00 0.00 N ATOM 1203 CA VAL A 82 103.804 -5.918 -0.004 1.00 0.00 C ATOM 1204 C VAL A 82 103.072 -4.588 0.113 1.00 0.00 C ATOM 1205 O VAL A 82 102.685 -3.987 -0.890 1.00 0.00 O ATOM 1206 CB VAL A 82 105.312 -5.648 0.086 1.00 0.00 C ATOM 1207 CG1 VAL A 82 106.093 -6.964 0.139 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.767 -4.842 -1.134 1.00 0.00 C ATOM 0 H VAL A 82 103.454 -5.994 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 82 103.489 -6.574 0.807 1.00 0.00 H new ATOM 0 HB VAL A 82 105.507 -5.083 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 82 107.160 -6.751 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.784 -7.535 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 82 105.891 -7.543 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.838 -4.653 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.555 -5.406 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.232 -3.893 -1.163 1.00 0.00 H new ATOM 1218 N VAL A 83 102.907 -4.140 1.354 1.00 0.00 N ATOM 1219 CA VAL A 83 102.382 -2.809 1.635 1.00 0.00 C ATOM 1220 C VAL A 83 103.212 -2.204 2.761 1.00 0.00 C ATOM 1221 O VAL A 83 103.798 -2.950 3.546 1.00 0.00 O ATOM 1222 CB VAL A 83 100.911 -2.888 2.051 1.00 0.00 C ATOM 1223 CG1 VAL A 83 100.364 -1.476 2.271 1.00 0.00 C ATOM 1224 CG2 VAL A 83 100.102 -3.576 0.948 1.00 0.00 C ATOM 0 H VAL A 83 103.132 -4.685 2.187 1.00 0.00 H new ATOM 0 HA VAL A 83 102.444 -2.189 0.741 1.00 0.00 H new ATOM 0 HB VAL A 83 100.829 -3.460 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 83 99.317 -1.534 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 100.936 -0.982 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 83 100.449 -0.905 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 83 99.055 -3.632 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 83 100.187 -3.004 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 83 100.488 -4.583 0.788 1.00 0.00 H new ATOM 1234 N GLY A 84 103.290 -0.876 2.830 1.00 0.00 N ATOM 1235 CA GLY A 84 104.084 -0.242 3.878 1.00 0.00 C ATOM 1236 C GLY A 84 103.784 1.242 3.998 1.00 0.00 C ATOM 1237 O GLY A 84 102.936 1.778 3.283 1.00 0.00 O ATOM 0 H GLY A 84 102.825 -0.233 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 84 103.883 -0.731 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 84 105.144 -0.382 3.665 1.00 0.00 H new ATOM 1241 N VAL A 85 104.522 1.906 4.881 1.00 0.00 N ATOM 1242 CA VAL A 85 104.309 3.324 5.140 1.00 0.00 C ATOM 1243 C VAL A 85 105.643 4.054 5.106 1.00 0.00 C ATOM 1244 O VAL A 85 106.675 3.483 5.448 1.00 0.00 O ATOM 1245 CB VAL A 85 103.640 3.518 6.503 1.00 0.00 C ATOM 1246 CG1 VAL A 85 102.268 2.843 6.499 1.00 0.00 C ATOM 1247 CG2 VAL A 85 104.507 2.889 7.599 1.00 0.00 C ATOM 0 H VAL A 85 105.272 1.485 5.429 1.00 0.00 H new ATOM 0 HA VAL A 85 103.655 3.733 4.370 1.00 0.00 H new ATOM 0 HB VAL A 85 103.525 4.584 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 85 101.792 2.981 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 85 101.646 3.288 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 85 102.387 1.778 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 85 104.027 3.029 8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 85 104.624 1.823 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 85 105.487 3.367 7.607 1.00 0.00 H new ATOM 1257 N GLY A 86 105.617 5.315 4.689 1.00 0.00 N ATOM 1258 CA GLY A 86 106.838 6.107 4.601 1.00 0.00 C ATOM 1259 C GLY A 86 106.671 7.441 5.312 1.00 0.00 C ATOM 1260 O GLY A 86 105.617 8.069 5.225 1.00 0.00 O ATOM 0 H GLY A 86 104.769 5.808 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 86 107.667 5.555 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 86 107.091 6.277 3.555 1.00 0.00 H new ATOM 1264 N TYR A 87 107.720 7.861 6.014 1.00 0.00 N ATOM 1265 CA TYR A 87 107.714 9.151 6.695 1.00 0.00 C ATOM 1266 C TYR A 87 108.801 10.033 6.094 1.00 0.00 C ATOM 1267 O TYR A 87 109.946 9.603 5.970 1.00 0.00 O ATOM 1268 CB TYR A 87 107.992 8.951 8.186 1.00 0.00 C ATOM 1269 CG TYR A 87 107.098 7.920 8.835 1.00 0.00 C ATOM 1270 CD1 TYR A 87 107.492 6.577 8.869 1.00 0.00 C ATOM 1271 CD2 TYR A 87 105.879 8.306 9.405 1.00 0.00 C ATOM 1272 CE1 TYR A 87 106.668 5.619 9.471 1.00 0.00 C ATOM 1273 CE2 TYR A 87 105.054 7.348 10.007 1.00 0.00 C ATOM 1274 CZ TYR A 87 105.448 6.005 10.040 1.00 0.00 C ATOM 1275 OH TYR A 87 104.634 5.062 10.633 1.00 0.00 O ATOM 0 H TYR A 87 108.582 7.328 6.126 1.00 0.00 H new ATOM 0 HA TYR A 87 106.739 9.624 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 87 109.032 8.652 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 87 107.868 9.903 8.701 1.00 0.00 H new ATOM 0 HD1 TYR A 87 108.433 6.280 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 87 105.575 9.342 9.380 1.00 0.00 H new ATOM 0 HE1 TYR A 87 106.973 4.583 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 87 104.113 7.645 10.446 1.00 0.00 H new ATOM 0 HH TYR A 87 103.827 5.497 10.979 1.00 0.00 H new ATOM 1285 N GLY A 88 108.444 11.265 5.745 1.00 0.00 N ATOM 1286 CA GLY A 88 109.390 12.174 5.100 1.00 0.00 C ATOM 1287 C GLY A 88 109.437 13.526 5.802 1.00 0.00 C ATOM 1288 O GLY A 88 108.448 13.971 6.388 1.00 0.00 O ATOM 0 H GLY A 88 107.514 11.656 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.384 11.727 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 88 109.107 12.315 4.057 1.00 0.00 H new ATOM 1292 N LYS A 89 110.598 14.171 5.719 1.00 0.00 N ATOM 1293 CA LYS A 89 110.802 15.466 6.352 1.00 0.00 C ATOM 1294 C LYS A 89 111.661 16.369 5.467 1.00 0.00 C ATOM 1295 O LYS A 89 112.590 15.897 4.808 1.00 0.00 O ATOM 1296 CB LYS A 89 111.434 15.275 7.740 1.00 0.00 C ATOM 1297 CG LYS A 89 112.867 14.738 7.625 1.00 0.00 C ATOM 1298 CD LYS A 89 113.414 14.440 9.021 1.00 0.00 C ATOM 1299 CE LYS A 89 114.924 14.205 8.940 1.00 0.00 C ATOM 1300 NZ LYS A 89 115.193 12.971 8.149 1.00 0.00 N ATOM 0 H LYS A 89 111.412 13.815 5.218 1.00 0.00 H new ATOM 0 HA LYS A 89 109.837 15.956 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 89 111.440 16.225 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 89 110.829 14.583 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 89 112.880 13.833 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 89 113.501 15.469 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 89 113.201 15.272 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 89 112.921 13.561 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 89 115.412 15.062 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 89 115.342 14.106 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 116.194 12.706 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 114.594 12.197 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 114.979 13.148 7.147 1.00 0.00 H new ATOM 1314 N PHE A 90 111.319 17.654 5.427 1.00 0.00 N ATOM 1315 CA PHE A 90 112.093 18.629 4.664 1.00 0.00 C ATOM 1316 C PHE A 90 112.413 19.841 5.532 1.00 0.00 C ATOM 1317 O PHE A 90 111.700 20.126 6.495 1.00 0.00 O ATOM 1318 CB PHE A 90 111.305 19.067 3.428 1.00 0.00 C ATOM 1319 CG PHE A 90 109.958 19.668 3.753 1.00 0.00 C ATOM 1320 CD1 PHE A 90 109.837 21.045 3.971 1.00 0.00 C ATOM 1321 CD2 PHE A 90 108.828 18.845 3.836 1.00 0.00 C ATOM 1322 CE1 PHE A 90 108.587 21.600 4.272 1.00 0.00 C ATOM 1323 CE2 PHE A 90 107.578 19.399 4.137 1.00 0.00 C ATOM 1324 CZ PHE A 90 107.457 20.776 4.354 1.00 0.00 C ATOM 0 H PHE A 90 110.512 18.044 5.913 1.00 0.00 H new ATOM 0 HA PHE A 90 113.027 18.166 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 90 111.894 19.796 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 90 111.162 18.206 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 90 110.708 21.680 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 90 108.921 17.782 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 90 108.494 22.663 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 90 106.707 18.764 4.202 1.00 0.00 H new ATOM 0 HZ PHE A 90 106.492 21.204 4.585 1.00 0.00 H new ATOM 1334 N GLN A 91 113.485 20.554 5.193 1.00 0.00 N ATOM 1335 CA GLN A 91 113.919 21.693 6.000 1.00 0.00 C ATOM 1336 C GLN A 91 113.627 23.018 5.301 1.00 0.00 C ATOM 1337 O GLN A 91 114.118 23.281 4.203 1.00 0.00 O ATOM 1338 CB GLN A 91 115.421 21.588 6.270 1.00 0.00 C ATOM 1339 CG GLN A 91 115.702 20.348 7.124 1.00 0.00 C ATOM 1340 CD GLN A 91 117.204 20.171 7.337 1.00 0.00 C ATOM 1341 OE1 GLN A 91 118.015 20.741 6.605 1.00 0.00 O ATOM 1342 NE2 GLN A 91 117.626 19.408 8.307 1.00 0.00 N ATOM 0 H GLN A 91 114.064 20.367 4.374 1.00 0.00 H new ATOM 0 HA GLN A 91 113.364 21.670 6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 91 115.967 21.525 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 91 115.772 22.483 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 91 115.201 20.442 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 91 115.292 19.464 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 91 116.955 18.936 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 91 118.627 19.283 8.459 1.00 0.00 H new ATOM 1351 N THR A 92 112.819 23.844 5.956 1.00 0.00 N ATOM 1352 CA THR A 92 112.542 25.196 5.482 1.00 0.00 C ATOM 1353 C THR A 92 112.377 26.132 6.675 1.00 0.00 C ATOM 1354 O THR A 92 112.222 25.662 7.804 1.00 0.00 O ATOM 1355 CB THR A 92 111.280 25.204 4.614 1.00 0.00 C ATOM 1356 OG1 THR A 92 111.018 26.529 4.176 1.00 0.00 O ATOM 1357 CG2 THR A 92 110.079 24.670 5.402 1.00 0.00 C ATOM 0 H THR A 92 112.341 23.599 6.823 1.00 0.00 H new ATOM 0 HA THR A 92 113.378 25.542 4.874 1.00 0.00 H new ATOM 0 HB THR A 92 111.441 24.557 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 92 110.212 26.536 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 92 109.193 24.684 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 92 110.280 23.648 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 92 109.909 25.298 6.277 1.00 0.00 H new ATOM 1365 N THR A 93 112.412 27.443 6.437 1.00 0.00 N ATOM 1366 CA THR A 93 112.163 28.394 7.519 1.00 0.00 C ATOM 1367 C THR A 93 110.720 28.881 7.456 1.00 0.00 C ATOM 1368 O THR A 93 110.285 29.436 6.447 1.00 0.00 O ATOM 1369 CB THR A 93 113.113 29.587 7.396 1.00 0.00 C ATOM 1370 OG1 THR A 93 114.453 29.119 7.345 1.00 0.00 O ATOM 1371 CG2 THR A 93 112.937 30.509 8.604 1.00 0.00 C ATOM 0 H THR A 93 112.605 27.863 5.528 1.00 0.00 H new ATOM 0 HA THR A 93 112.335 27.897 8.474 1.00 0.00 H new ATOM 0 HB THR A 93 112.886 30.140 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 93 115.063 29.882 7.264 1.00 0.00 H new ATOM 0 HG21 THR A 93 113.614 31.358 8.515 1.00 0.00 H new ATOM 0 HG22 THR A 93 111.908 30.867 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 93 113.163 29.959 9.518 1.00 0.00 H new ATOM 1379 N GLU A 94 110.017 28.728 8.574 1.00 0.00 N ATOM 1380 CA GLU A 94 108.591 29.044 8.667 1.00 0.00 C ATOM 1381 C GLU A 94 108.185 29.111 10.135 1.00 0.00 C ATOM 1382 O GLU A 94 108.768 28.414 10.968 1.00 0.00 O ATOM 1383 CB GLU A 94 107.711 27.973 8.004 1.00 0.00 C ATOM 1384 CG GLU A 94 107.913 27.915 6.482 1.00 0.00 C ATOM 1385 CD GLU A 94 106.933 26.939 5.820 1.00 0.00 C ATOM 1386 OE1 GLU A 94 106.260 26.196 6.521 1.00 0.00 O ATOM 1387 OE2 GLU A 94 106.869 26.951 4.602 1.00 0.00 O ATOM 0 H GLU A 94 110.419 28.381 9.445 1.00 0.00 H new ATOM 0 HA GLU A 94 108.443 29.995 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 94 107.940 26.999 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 94 106.663 28.180 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 94 107.778 28.910 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 94 108.936 27.610 6.261 1.00 0.00 H new ATOM 1394 N TYR A 95 107.197 29.944 10.453 1.00 0.00 N ATOM 1395 CA TYR A 95 106.596 29.887 11.782 1.00 0.00 C ATOM 1396 C TYR A 95 105.588 28.732 11.777 1.00 0.00 C ATOM 1397 O TYR A 95 104.598 28.801 11.048 1.00 0.00 O ATOM 1398 CB TYR A 95 105.892 31.206 12.132 1.00 0.00 C ATOM 1399 CG TYR A 95 105.076 31.814 11.011 1.00 0.00 C ATOM 1400 CD1 TYR A 95 103.724 31.479 10.863 1.00 0.00 C ATOM 1401 CD2 TYR A 95 105.671 32.719 10.124 1.00 0.00 C ATOM 1402 CE1 TYR A 95 102.969 32.047 9.829 1.00 0.00 C ATOM 1403 CE2 TYR A 95 104.918 33.287 9.090 1.00 0.00 C ATOM 1404 CZ TYR A 95 103.567 32.951 8.942 1.00 0.00 C ATOM 1405 OH TYR A 95 102.823 33.511 7.924 1.00 0.00 O ATOM 0 H TYR A 95 106.804 30.648 9.828 1.00 0.00 H new ATOM 0 HA TYR A 95 107.369 29.728 12.534 1.00 0.00 H new ATOM 0 HB2 TYR A 95 105.237 31.035 12.986 1.00 0.00 H new ATOM 0 HB3 TYR A 95 106.644 31.929 12.447 1.00 0.00 H new ATOM 0 HD1 TYR A 95 103.263 30.782 11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 95 106.713 32.979 10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 95 101.927 31.788 9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 95 105.379 33.984 8.406 1.00 0.00 H new ATOM 0 HH TYR A 95 103.388 34.117 7.401 1.00 0.00 H new ATOM 1415 N PRO A 96 105.794 27.678 12.544 1.00 0.00 N ATOM 1416 CA PRO A 96 105.046 26.406 12.311 1.00 0.00 C ATOM 1417 C PRO A 96 103.588 26.454 12.757 1.00 0.00 C ATOM 1418 O PRO A 96 103.269 26.929 13.847 1.00 0.00 O ATOM 1419 CB PRO A 96 105.824 25.374 13.126 1.00 0.00 C ATOM 1420 CG PRO A 96 106.431 26.143 14.250 1.00 0.00 C ATOM 1421 CD PRO A 96 106.663 27.563 13.733 1.00 0.00 C ATOM 0 HA PRO A 96 104.987 26.181 11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 96 105.167 24.587 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 96 106.590 24.890 12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.770 26.149 15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 96 107.369 25.688 14.568 1.00 0.00 H new ATOM 0 HD2 PRO A 96 106.402 28.306 14.487 1.00 0.00 H new ATOM 0 HD3 PRO A 96 107.710 27.724 13.475 1.00 0.00 H new ATOM 1429 N THR A 97 102.710 25.952 11.893 1.00 0.00 N ATOM 1430 CA THR A 97 101.334 25.657 12.275 1.00 0.00 C ATOM 1431 C THR A 97 101.082 24.163 12.097 1.00 0.00 C ATOM 1432 O THR A 97 101.217 23.644 10.988 1.00 0.00 O ATOM 1433 CB THR A 97 100.361 26.452 11.401 1.00 0.00 C ATOM 1434 OG1 THR A 97 100.681 27.834 11.478 1.00 0.00 O ATOM 1435 CG2 THR A 97 98.931 26.230 11.893 1.00 0.00 C ATOM 0 H THR A 97 102.929 25.741 10.920 1.00 0.00 H new ATOM 0 HA THR A 97 101.178 25.939 13.316 1.00 0.00 H new ATOM 0 HB THR A 97 100.442 26.116 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 97 100.060 28.345 10.918 1.00 0.00 H new ATOM 0 HG21 THR A 97 98.240 26.797 11.270 1.00 0.00 H new ATOM 0 HG22 THR A 97 98.687 25.169 11.834 1.00 0.00 H new ATOM 0 HG23 THR A 97 98.846 26.565 12.927 1.00 0.00 H new ATOM 1443 N TYR A 98 100.711 23.476 13.175 1.00 0.00 N ATOM 1444 CA TYR A 98 100.486 22.036 13.095 1.00 0.00 C ATOM 1445 C TYR A 98 99.528 21.556 14.179 1.00 0.00 C ATOM 1446 O TYR A 98 99.701 21.866 15.357 1.00 0.00 O ATOM 1447 CB TYR A 98 101.815 21.291 13.234 1.00 0.00 C ATOM 1448 CG TYR A 98 102.805 21.609 12.139 1.00 0.00 C ATOM 1449 CD1 TYR A 98 102.675 21.007 10.882 1.00 0.00 C ATOM 1450 CD2 TYR A 98 103.853 22.505 12.380 1.00 0.00 C ATOM 1451 CE1 TYR A 98 103.593 21.300 9.866 1.00 0.00 C ATOM 1452 CE2 TYR A 98 104.772 22.798 11.365 1.00 0.00 C ATOM 1453 CZ TYR A 98 104.642 22.196 10.108 1.00 0.00 C ATOM 1454 OH TYR A 98 105.546 22.485 9.107 1.00 0.00 O ATOM 0 H TYR A 98 100.562 23.884 14.098 1.00 0.00 H new ATOM 0 HA TYR A 98 100.039 21.827 12.123 1.00 0.00 H new ATOM 0 HB2 TYR A 98 102.261 21.537 14.198 1.00 0.00 H new ATOM 0 HB3 TYR A 98 101.622 20.218 13.237 1.00 0.00 H new ATOM 0 HD1 TYR A 98 101.866 20.316 10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 98 103.953 22.971 13.349 1.00 0.00 H new ATOM 0 HE1 TYR A 98 103.492 20.835 8.896 1.00 0.00 H new ATOM 0 HE2 TYR A 98 105.581 23.488 11.552 1.00 0.00 H new ATOM 0 HH TYR A 98 106.209 23.125 9.440 1.00 0.00 H new ATOM 1464 N LYS A 99 98.515 20.798 13.768 1.00 0.00 N ATOM 1465 CA LYS A 99 97.614 20.151 14.716 1.00 0.00 C ATOM 1466 C LYS A 99 97.773 18.636 14.629 1.00 0.00 C ATOM 1467 O LYS A 99 97.585 18.046 13.566 1.00 0.00 O ATOM 1468 CB LYS A 99 96.166 20.533 14.401 1.00 0.00 C ATOM 1469 CG LYS A 99 95.241 19.961 15.477 1.00 0.00 C ATOM 1470 CD LYS A 99 93.804 20.431 15.229 1.00 0.00 C ATOM 1471 CE LYS A 99 93.251 19.779 13.959 1.00 0.00 C ATOM 1472 NZ LYS A 99 93.342 18.296 14.075 1.00 0.00 N ATOM 0 H LYS A 99 98.298 20.617 12.788 1.00 0.00 H new ATOM 0 HA LYS A 99 97.862 20.482 15.724 1.00 0.00 H new ATOM 0 HB2 LYS A 99 96.066 21.618 14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 99 95.882 20.149 13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 99 95.284 18.872 15.465 1.00 0.00 H new ATOM 0 HG3 LYS A 99 95.573 20.283 16.464 1.00 0.00 H new ATOM 0 HD2 LYS A 99 93.176 20.174 16.082 1.00 0.00 H new ATOM 0 HD3 LYS A 99 93.780 21.516 15.131 1.00 0.00 H new ATOM 0 HE2 LYS A 99 92.214 20.079 13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 99 93.812 20.121 13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 92.636 17.855 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 94.294 17.984 13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 93.159 18.013 15.059 1.00 0.00 H new ATOM 1486 N HIS A 100 98.121 18.011 15.752 1.00 0.00 N ATOM 1487 CA HIS A 100 98.279 16.555 15.812 1.00 0.00 C ATOM 1488 C HIS A 100 99.094 16.004 14.639 1.00 0.00 C ATOM 1489 O HIS A 100 98.895 14.862 14.223 1.00 0.00 O ATOM 1490 CB HIS A 100 96.902 15.890 15.827 1.00 0.00 C ATOM 1491 CG HIS A 100 96.023 16.360 16.955 1.00 0.00 C ATOM 1492 ND1 HIS A 100 94.654 16.145 16.965 1.00 0.00 N ATOM 1493 CD2 HIS A 100 96.306 17.035 18.117 1.00 0.00 C ATOM 1494 CE1 HIS A 100 94.168 16.681 18.098 1.00 0.00 C ATOM 1495 NE2 HIS A 100 95.131 17.237 18.838 1.00 0.00 N ATOM 0 H HIS A 100 98.300 18.489 16.635 1.00 0.00 H new ATOM 0 HA HIS A 100 98.825 16.327 16.727 1.00 0.00 H new ATOM 0 HB2 HIS A 100 96.401 16.088 14.879 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.029 14.810 15.901 1.00 0.00 H new ATOM 0 HD2 HIS A 100 97.289 17.360 18.425 1.00 0.00 H new ATOM 0 HE1 HIS A 100 93.125 16.664 18.376 1.00 0.00 H new ATOM 0 HE2 HIS A 100 95.028 17.708 19.737 1.00 0.00 H new ATOM 1503 N ASP A 101 100.010 16.812 14.108 1.00 0.00 N ATOM 1504 CA ASP A 101 100.820 16.386 12.971 1.00 0.00 C ATOM 1505 C ASP A 101 102.225 16.976 13.055 1.00 0.00 C ATOM 1506 O ASP A 101 102.418 18.071 13.582 1.00 0.00 O ATOM 1507 CB ASP A 101 100.158 16.827 11.664 1.00 0.00 C ATOM 1508 CG ASP A 101 100.906 16.236 10.475 1.00 0.00 C ATOM 1509 OD1 ASP A 101 100.628 15.100 10.129 1.00 0.00 O ATOM 1510 OD2 ASP A 101 101.749 16.928 9.927 1.00 0.00 O ATOM 0 H ASP A 101 100.208 17.755 14.443 1.00 0.00 H new ATOM 0 HA ASP A 101 100.895 15.299 12.994 1.00 0.00 H new ATOM 0 HB2 ASP A 101 99.117 16.503 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 101 100.155 17.915 11.598 1.00 0.00 H new ATOM 1515 N THR A 102 103.204 16.242 12.532 1.00 0.00 N ATOM 1516 CA THR A 102 104.589 16.706 12.559 1.00 0.00 C ATOM 1517 C THR A 102 105.348 16.321 11.288 1.00 0.00 C ATOM 1518 O THR A 102 106.257 17.036 10.867 1.00 0.00 O ATOM 1519 CB THR A 102 105.307 16.117 13.775 1.00 0.00 C ATOM 1520 OG1 THR A 102 105.300 14.699 13.685 1.00 0.00 O ATOM 1521 CG2 THR A 102 104.590 16.553 15.055 1.00 0.00 C ATOM 0 H THR A 102 103.067 15.333 12.089 1.00 0.00 H new ATOM 0 HA THR A 102 104.569 17.794 12.621 1.00 0.00 H new ATOM 0 HB THR A 102 106.336 16.475 13.799 1.00 0.00 H new ATOM 0 HG1 THR A 102 105.761 14.320 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 102 105.103 16.133 15.920 1.00 0.00 H new ATOM 0 HG22 THR A 102 104.596 17.641 15.123 1.00 0.00 H new ATOM 0 HG23 THR A 102 103.560 16.196 15.035 1.00 0.00 H new ATOM 1529 N SER A 103 104.980 15.195 10.676 1.00 0.00 N ATOM 1530 CA SER A 103 105.678 14.711 9.487 1.00 0.00 C ATOM 1531 C SER A 103 104.688 14.354 8.382 1.00 0.00 C ATOM 1532 O SER A 103 103.481 14.288 8.616 1.00 0.00 O ATOM 1533 CB SER A 103 106.510 13.478 9.841 1.00 0.00 C ATOM 1534 OG SER A 103 105.639 12.404 10.165 1.00 0.00 O ATOM 0 H SER A 103 104.207 14.605 10.983 1.00 0.00 H new ATOM 0 HA SER A 103 106.331 15.506 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 103 107.149 13.203 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 103 107.166 13.697 10.684 1.00 0.00 H new ATOM 0 HG SER A 103 104.890 12.740 10.700 1.00 0.00 H new ATOM 1540 N ASP A 104 105.206 14.125 7.179 1.00 0.00 N ATOM 1541 CA ASP A 104 104.356 13.777 6.044 1.00 0.00 C ATOM 1542 C ASP A 104 104.303 12.262 5.870 1.00 0.00 C ATOM 1543 O ASP A 104 105.340 11.602 5.851 1.00 0.00 O ATOM 1544 CB ASP A 104 104.900 14.422 4.767 1.00 0.00 C ATOM 1545 CG ASP A 104 103.943 14.170 3.608 1.00 0.00 C ATOM 1546 OD1 ASP A 104 102.995 14.925 3.473 1.00 0.00 O ATOM 1547 OD2 ASP A 104 104.173 13.225 2.871 1.00 0.00 O ATOM 0 H ASP A 104 106.202 14.173 6.965 1.00 0.00 H new ATOM 0 HA ASP A 104 103.349 14.148 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 104 105.028 15.494 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 104 105.883 14.013 4.533 1.00 0.00 H new ATOM 1552 N TYR A 105 103.091 11.723 5.749 1.00 0.00 N ATOM 1553 CA TYR A 105 102.904 10.275 5.667 1.00 0.00 C ATOM 1554 C TYR A 105 102.389 9.863 4.290 1.00 0.00 C ATOM 1555 O TYR A 105 101.533 10.533 3.711 1.00 0.00 O ATOM 1556 CB TYR A 105 101.893 9.831 6.726 1.00 0.00 C ATOM 1557 CG TYR A 105 102.224 10.313 8.119 1.00 0.00 C ATOM 1558 CD1 TYR A 105 101.730 11.543 8.568 1.00 0.00 C ATOM 1559 CD2 TYR A 105 103.021 9.529 8.962 1.00 0.00 C ATOM 1560 CE1 TYR A 105 102.033 11.991 9.860 1.00 0.00 C ATOM 1561 CE2 TYR A 105 103.325 9.977 10.252 1.00 0.00 C ATOM 1562 CZ TYR A 105 102.831 11.207 10.701 1.00 0.00 C ATOM 1563 OH TYR A 105 103.130 11.649 11.975 1.00 0.00 O ATOM 0 H TYR A 105 102.227 12.264 5.706 1.00 0.00 H new ATOM 0 HA TYR A 105 103.869 9.798 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 105 100.905 10.198 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 105 101.839 8.742 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 105 101.115 12.147 7.918 1.00 0.00 H new ATOM 0 HD2 TYR A 105 103.401 8.579 8.617 1.00 0.00 H new ATOM 0 HE1 TYR A 105 101.651 12.940 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 105 103.941 9.373 10.902 1.00 0.00 H new ATOM 0 HH TYR A 105 103.693 10.986 12.428 1.00 0.00 H new ATOM 1573 N GLY A 106 102.916 8.757 3.770 1.00 0.00 N ATOM 1574 CA GLY A 106 102.450 8.221 2.494 1.00 0.00 C ATOM 1575 C GLY A 106 102.330 6.700 2.548 1.00 0.00 C ATOM 1576 O GLY A 106 102.989 6.052 3.359 1.00 0.00 O ATOM 0 H GLY A 106 103.662 8.217 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 106 101.482 8.657 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 106 103.142 8.506 1.702 1.00 0.00 H new ATOM 1580 N PHE A 107 101.494 6.139 1.676 1.00 0.00 N ATOM 1581 CA PHE A 107 101.279 4.689 1.641 1.00 0.00 C ATOM 1582 C PHE A 107 101.821 4.096 0.343 1.00 0.00 C ATOM 1583 O PHE A 107 101.682 4.706 -0.716 1.00 0.00 O ATOM 1584 CB PHE A 107 99.786 4.383 1.759 1.00 0.00 C ATOM 1585 CG PHE A 107 99.177 4.847 3.061 1.00 0.00 C ATOM 1586 CD1 PHE A 107 99.252 4.033 4.197 1.00 0.00 C ATOM 1587 CD2 PHE A 107 98.537 6.090 3.131 1.00 0.00 C ATOM 1588 CE1 PHE A 107 98.688 4.463 5.404 1.00 0.00 C ATOM 1589 CE2 PHE A 107 97.973 6.520 4.338 1.00 0.00 C ATOM 1590 CZ PHE A 107 98.048 5.706 5.475 1.00 0.00 C ATOM 0 H PHE A 107 100.955 6.662 0.986 1.00 0.00 H new ATOM 0 HA PHE A 107 101.811 4.241 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 107 99.259 4.858 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 107 99.634 3.308 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 107 99.745 3.074 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 107 98.478 6.717 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 107 98.747 3.835 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 107 97.480 7.479 4.392 1.00 0.00 H new ATOM 0 HZ PHE A 107 97.612 6.037 6.406 1.00 0.00 H new ATOM 1600 N SER A 108 102.428 2.910 0.415 1.00 0.00 N ATOM 1601 CA SER A 108 103.010 2.290 -0.776 1.00 0.00 C ATOM 1602 C SER A 108 102.630 0.816 -0.873 1.00 0.00 C ATOM 1603 O SER A 108 102.430 0.155 0.144 1.00 0.00 O ATOM 1604 CB SER A 108 104.533 2.421 -0.734 1.00 0.00 C ATOM 1605 OG SER A 108 104.881 3.794 -0.626 1.00 0.00 O ATOM 0 H SER A 108 102.529 2.366 1.272 1.00 0.00 H new ATOM 0 HA SER A 108 102.617 2.805 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 108 104.935 1.864 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.972 1.992 -1.635 1.00 0.00 H new ATOM 0 HG SER A 108 105.857 3.883 -0.597 1.00 0.00 H new ATOM 1611 N TYR A 109 102.534 0.310 -2.101 1.00 0.00 N ATOM 1612 CA TYR A 109 102.257 -1.107 -2.320 1.00 0.00 C ATOM 1613 C TYR A 109 102.811 -1.560 -3.671 1.00 0.00 C ATOM 1614 O TYR A 109 103.049 -0.736 -4.554 1.00 0.00 O ATOM 1615 CB TYR A 109 100.746 -1.360 -2.246 1.00 0.00 C ATOM 1616 CG TYR A 109 99.961 -0.768 -3.396 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.740 -1.523 -4.554 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.457 0.535 -3.301 1.00 0.00 C ATOM 1619 CE1 TYR A 109 99.013 -0.974 -5.618 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.730 1.082 -4.365 1.00 0.00 C ATOM 1621 CZ TYR A 109 98.508 0.328 -5.524 1.00 0.00 C ATOM 1622 OH TYR A 109 97.792 0.868 -6.572 1.00 0.00 O ATOM 0 H TYR A 109 102.643 0.857 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 109 102.750 -1.687 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.570 -2.435 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 109 100.365 -0.949 -1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 109 100.130 -2.528 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.629 1.117 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 109 98.842 -1.556 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.340 2.086 -4.292 1.00 0.00 H new ATOM 0 HH TYR A 109 97.513 1.779 -6.343 1.00 0.00 H new ATOM 1632 N GLY A 110 103.015 -2.866 -3.828 1.00 0.00 N ATOM 1633 CA GLY A 110 103.507 -3.398 -5.098 1.00 0.00 C ATOM 1634 C GLY A 110 103.711 -4.909 -5.032 1.00 0.00 C ATOM 1635 O GLY A 110 103.407 -5.538 -4.023 1.00 0.00 O ATOM 0 H GLY A 110 102.851 -3.566 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 110 102.799 -3.160 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.449 -2.914 -5.356 1.00 0.00 H new ATOM 1639 N ALA A 111 104.240 -5.479 -6.112 1.00 0.00 N ATOM 1640 CA ALA A 111 104.486 -6.917 -6.170 1.00 0.00 C ATOM 1641 C ALA A 111 105.793 -7.204 -6.904 1.00 0.00 C ATOM 1642 O ALA A 111 106.281 -6.364 -7.660 1.00 0.00 O ATOM 1643 CB ALA A 111 103.330 -7.618 -6.887 1.00 0.00 C ATOM 0 H ALA A 111 104.505 -4.970 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 111 104.562 -7.296 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.522 -8.690 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 111 102.402 -7.435 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.241 -7.229 -7.901 1.00 0.00 H new ATOM 1649 N GLY A 112 106.358 -8.390 -6.681 1.00 0.00 N ATOM 1650 CA GLY A 112 107.635 -8.735 -7.298 1.00 0.00 C ATOM 1651 C GLY A 112 107.712 -10.217 -7.645 1.00 0.00 C ATOM 1652 O GLY A 112 106.995 -11.037 -7.071 1.00 0.00 O ATOM 0 H GLY A 112 105.958 -9.117 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 112 107.774 -8.142 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 112 108.448 -8.478 -6.619 1.00 0.00 H new ATOM 1656 N LEU A 113 108.598 -10.541 -8.584 1.00 0.00 N ATOM 1657 CA LEU A 113 108.804 -11.921 -9.014 1.00 0.00 C ATOM 1658 C LEU A 113 110.262 -12.312 -8.791 1.00 0.00 C ATOM 1659 O LEU A 113 111.159 -11.493 -8.991 1.00 0.00 O ATOM 1660 CB LEU A 113 108.463 -12.071 -10.501 1.00 0.00 C ATOM 1661 CG LEU A 113 107.035 -11.586 -10.772 1.00 0.00 C ATOM 1662 CD1 LEU A 113 106.757 -11.641 -12.276 1.00 0.00 C ATOM 1663 CD2 LEU A 113 106.038 -12.491 -10.045 1.00 0.00 C ATOM 0 H LEU A 113 109.188 -9.861 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 113 108.152 -12.572 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 113 109.169 -11.498 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 113 108.563 -13.114 -10.800 1.00 0.00 H new ATOM 0 HG LEU A 113 106.928 -10.562 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 113 105.741 -11.296 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 113 107.465 -10.999 -12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 113 106.866 -12.666 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 113 105.023 -12.144 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 113 106.147 -13.514 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 113 106.233 -12.460 -8.973 1.00 0.00 H new ATOM 1675 N GLN A 114 110.492 -13.556 -8.375 1.00 0.00 N ATOM 1676 CA GLN A 114 111.849 -14.042 -8.138 1.00 0.00 C ATOM 1677 C GLN A 114 112.209 -15.127 -9.149 1.00 0.00 C ATOM 1678 O GLN A 114 111.430 -16.051 -9.381 1.00 0.00 O ATOM 1679 CB GLN A 114 111.957 -14.610 -6.720 1.00 0.00 C ATOM 1680 CG GLN A 114 113.413 -14.985 -6.427 1.00 0.00 C ATOM 1681 CD GLN A 114 113.566 -15.506 -4.998 1.00 0.00 C ATOM 1682 OE1 GLN A 114 112.632 -15.445 -4.196 1.00 0.00 O ATOM 1683 NE2 GLN A 114 114.707 -16.022 -4.627 1.00 0.00 N ATOM 0 H GLN A 114 109.759 -14.243 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 114 112.542 -13.208 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.607 -13.875 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 114 111.317 -15.487 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 114 113.746 -15.746 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 114 114.053 -14.114 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 114 115.482 -16.074 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 114 114.823 -16.373 -3.676 1.00 0.00 H new ATOM 1692 N PHE A 115 113.392 -15.010 -9.751 1.00 0.00 N ATOM 1693 CA PHE A 115 113.844 -15.994 -10.732 1.00 0.00 C ATOM 1694 C PHE A 115 115.178 -16.592 -10.302 1.00 0.00 C ATOM 1695 O PHE A 115 116.053 -15.877 -9.815 1.00 0.00 O ATOM 1696 CB PHE A 115 114.000 -15.329 -12.101 1.00 0.00 C ATOM 1697 CG PHE A 115 112.706 -14.774 -12.649 1.00 0.00 C ATOM 1698 CD1 PHE A 115 111.881 -15.579 -13.444 1.00 0.00 C ATOM 1699 CD2 PHE A 115 112.333 -13.456 -12.362 1.00 0.00 C ATOM 1700 CE1 PHE A 115 110.682 -15.065 -13.952 1.00 0.00 C ATOM 1701 CE2 PHE A 115 111.133 -12.942 -12.870 1.00 0.00 C ATOM 1702 CZ PHE A 115 110.308 -13.747 -13.665 1.00 0.00 C ATOM 0 H PHE A 115 114.050 -14.250 -9.578 1.00 0.00 H new ATOM 0 HA PHE A 115 113.102 -16.789 -10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 115 114.729 -14.522 -12.024 1.00 0.00 H new ATOM 0 HB3 PHE A 115 114.403 -16.056 -12.806 1.00 0.00 H new ATOM 0 HD1 PHE A 115 112.170 -16.596 -13.665 1.00 0.00 H new ATOM 0 HD2 PHE A 115 112.970 -12.835 -11.749 1.00 0.00 H new ATOM 0 HE1 PHE A 115 110.045 -15.685 -14.565 1.00 0.00 H new ATOM 0 HE2 PHE A 115 110.844 -11.925 -12.649 1.00 0.00 H new ATOM 0 HZ PHE A 115 109.383 -13.351 -14.057 1.00 0.00 H new ATOM 1712 N ASN A 116 115.328 -17.900 -10.494 1.00 0.00 N ATOM 1713 CA ASN A 116 116.551 -18.597 -10.106 1.00 0.00 C ATOM 1714 C ASN A 116 117.093 -19.428 -11.275 1.00 0.00 C ATOM 1715 O ASN A 116 116.828 -20.630 -11.350 1.00 0.00 O ATOM 1716 CB ASN A 116 116.276 -19.503 -8.901 1.00 0.00 C ATOM 1717 CG ASN A 116 115.129 -20.461 -9.211 1.00 0.00 C ATOM 1718 OD1 ASN A 116 113.990 -20.030 -9.388 1.00 0.00 O ATOM 1719 ND2 ASN A 116 115.363 -21.742 -9.287 1.00 0.00 N ATOM 0 H ASN A 116 114.618 -18.499 -10.916 1.00 0.00 H new ATOM 0 HA ASN A 116 117.301 -17.855 -9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 116 117.173 -20.068 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 116 116.027 -18.896 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 116 114.601 -22.388 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 116 116.308 -22.097 -9.140 1.00 0.00 H new ATOM 1726 N PRO A 117 117.833 -18.830 -12.187 1.00 0.00 N ATOM 1727 CA PRO A 117 118.401 -19.585 -13.345 1.00 0.00 C ATOM 1728 C PRO A 117 119.587 -20.452 -12.927 1.00 0.00 C ATOM 1729 O PRO A 117 119.797 -20.696 -11.739 1.00 0.00 O ATOM 1730 CB PRO A 117 118.824 -18.486 -14.325 1.00 0.00 C ATOM 1731 CG PRO A 117 119.136 -17.305 -13.473 1.00 0.00 C ATOM 1732 CD PRO A 117 118.230 -17.405 -12.245 1.00 0.00 C ATOM 0 HA PRO A 117 117.685 -20.282 -13.780 1.00 0.00 H new ATOM 0 HB2 PRO A 117 119.692 -18.791 -14.909 1.00 0.00 H new ATOM 0 HB3 PRO A 117 118.027 -18.261 -15.033 1.00 0.00 H new ATOM 0 HG2 PRO A 117 120.186 -17.304 -13.181 1.00 0.00 H new ATOM 0 HG3 PRO A 117 118.954 -16.377 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 117 118.756 -17.103 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 117 117.360 -16.755 -12.340 1.00 0.00 H new ATOM 1740 N MET A 118 120.360 -20.917 -13.904 1.00 0.00 N ATOM 1741 CA MET A 118 121.523 -21.756 -13.618 1.00 0.00 C ATOM 1742 C MET A 118 122.468 -21.068 -12.631 1.00 0.00 C ATOM 1743 O MET A 118 123.088 -21.728 -11.798 1.00 0.00 O ATOM 1744 CB MET A 118 122.280 -22.052 -14.917 1.00 0.00 C ATOM 1745 CG MET A 118 121.386 -22.816 -15.902 1.00 0.00 C ATOM 1746 SD MET A 118 120.839 -24.388 -15.186 1.00 0.00 S ATOM 1747 CE MET A 118 122.472 -25.153 -15.023 1.00 0.00 C ATOM 0 H MET A 118 120.205 -20.730 -14.895 1.00 0.00 H new ATOM 0 HA MET A 118 121.169 -22.686 -13.172 1.00 0.00 H new ATOM 0 HB2 MET A 118 122.614 -21.119 -15.370 1.00 0.00 H new ATOM 0 HB3 MET A 118 123.173 -22.638 -14.698 1.00 0.00 H new ATOM 0 HG2 MET A 118 120.519 -22.208 -16.161 1.00 0.00 H new ATOM 0 HG3 MET A 118 121.932 -23.003 -16.827 1.00 0.00 H new ATOM 0 HE1 MET A 118 122.371 -26.238 -15.064 1.00 0.00 H new ATOM 0 HE2 MET A 118 123.114 -24.817 -15.837 1.00 0.00 H new ATOM 0 HE3 MET A 118 122.915 -24.866 -14.069 1.00 0.00 H new ATOM 1757 N GLU A 119 122.576 -19.745 -12.728 1.00 0.00 N ATOM 1758 CA GLU A 119 123.435 -18.983 -11.827 1.00 0.00 C ATOM 1759 C GLU A 119 123.071 -19.256 -10.371 1.00 0.00 C ATOM 1760 O GLU A 119 121.921 -19.564 -10.056 1.00 0.00 O ATOM 1761 CB GLU A 119 123.298 -17.487 -12.117 1.00 0.00 C ATOM 1762 CG GLU A 119 123.763 -17.196 -13.549 1.00 0.00 C ATOM 1763 CD GLU A 119 123.727 -15.698 -13.866 1.00 0.00 C ATOM 1764 OE1 GLU A 119 123.177 -14.934 -13.084 1.00 0.00 O ATOM 1765 OE2 GLU A 119 124.258 -15.330 -14.900 1.00 0.00 O ATOM 0 H GLU A 119 122.081 -19.181 -13.419 1.00 0.00 H new ATOM 0 HA GLU A 119 124.466 -19.294 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 119 122.261 -17.175 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 119 123.893 -16.913 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 119 124.777 -17.572 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 119 123.127 -17.732 -14.254 1.00 0.00 H new ATOM 1772 N ASN A 120 124.057 -19.139 -9.488 1.00 0.00 N ATOM 1773 CA ASN A 120 123.835 -19.393 -8.063 1.00 0.00 C ATOM 1774 C ASN A 120 123.204 -18.197 -7.335 1.00 0.00 C ATOM 1775 O ASN A 120 123.164 -18.179 -6.105 1.00 0.00 O ATOM 1776 CB ASN A 120 125.166 -19.742 -7.393 1.00 0.00 C ATOM 1777 CG ASN A 120 125.746 -21.014 -8.005 1.00 0.00 C ATOM 1778 OD1 ASN A 120 125.012 -21.833 -8.559 1.00 0.00 O ATOM 1779 ND2 ASN A 120 127.032 -21.230 -7.937 1.00 0.00 N ATOM 0 H ASN A 120 125.012 -18.872 -9.728 1.00 0.00 H new ATOM 0 HA ASN A 120 123.134 -20.225 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 120 125.869 -18.918 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 120 125.017 -19.880 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 120 127.429 -22.077 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 120 127.640 -20.551 -7.478 1.00 0.00 H new ATOM 1786 N VAL A 121 122.711 -17.203 -8.076 1.00 0.00 N ATOM 1787 CA VAL A 121 122.091 -16.028 -7.471 1.00 0.00 C ATOM 1788 C VAL A 121 120.671 -15.848 -8.000 1.00 0.00 C ATOM 1789 O VAL A 121 120.337 -16.335 -9.080 1.00 0.00 O ATOM 1790 CB VAL A 121 122.925 -14.782 -7.784 1.00 0.00 C ATOM 1791 CG1 VAL A 121 124.324 -14.946 -7.189 1.00 0.00 C ATOM 1792 CG2 VAL A 121 123.041 -14.605 -9.300 1.00 0.00 C ATOM 0 H VAL A 121 122.730 -17.190 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 121 122.048 -16.170 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 121 122.440 -13.907 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 121 124.920 -14.060 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 121 124.248 -15.071 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 121 124.803 -15.823 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 121 123.635 -13.718 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 121 123.525 -15.481 -9.733 1.00 0.00 H new ATOM 0 HG23 VAL A 121 122.046 -14.490 -9.730 1.00 0.00 H new ATOM 1802 N ALA A 122 119.835 -15.149 -7.235 1.00 0.00 N ATOM 1803 CA ALA A 122 118.443 -14.940 -7.626 1.00 0.00 C ATOM 1804 C ALA A 122 118.189 -13.461 -7.888 1.00 0.00 C ATOM 1805 O ALA A 122 118.778 -12.603 -7.235 1.00 0.00 O ATOM 1806 CB ALA A 122 117.512 -15.428 -6.514 1.00 0.00 C ATOM 0 H ALA A 122 120.095 -14.720 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 122 118.246 -15.504 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.475 -15.269 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 122 117.681 -16.490 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 122 117.716 -14.872 -5.599 1.00 0.00 H new ATOM 1812 N LEU A 123 117.303 -13.174 -8.839 1.00 0.00 N ATOM 1813 CA LEU A 123 117.009 -11.793 -9.217 1.00 0.00 C ATOM 1814 C LEU A 123 115.573 -11.447 -8.847 1.00 0.00 C ATOM 1815 O LEU A 123 114.679 -12.279 -8.987 1.00 0.00 O ATOM 1816 CB LEU A 123 117.208 -11.607 -10.724 1.00 0.00 C ATOM 1817 CG LEU A 123 118.635 -12.001 -11.119 1.00 0.00 C ATOM 1818 CD1 LEU A 123 118.787 -11.899 -12.638 1.00 0.00 C ATOM 1819 CD2 LEU A 123 119.636 -11.056 -10.449 1.00 0.00 C ATOM 0 H LEU A 123 116.778 -13.876 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 123 117.689 -11.131 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 123 116.489 -12.217 -11.272 1.00 0.00 H new ATOM 0 HB3 LEU A 123 117.020 -10.569 -10.998 1.00 0.00 H new ATOM 0 HG LEU A 123 118.829 -13.024 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 123 119.802 -12.179 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 123 118.077 -12.571 -13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 123 118.591 -10.875 -12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 123 120.650 -11.339 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 123 119.442 -10.033 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 123 119.530 -11.122 -9.366 1.00 0.00 H new ATOM 1831 N ASP A 124 115.357 -10.222 -8.372 1.00 0.00 N ATOM 1832 CA ASP A 124 114.020 -9.786 -7.978 1.00 0.00 C ATOM 1833 C ASP A 124 113.628 -8.531 -8.746 1.00 0.00 C ATOM 1834 O ASP A 124 114.375 -7.552 -8.763 1.00 0.00 O ATOM 1835 CB ASP A 124 113.990 -9.496 -6.476 1.00 0.00 C ATOM 1836 CG ASP A 124 114.299 -10.762 -5.680 1.00 0.00 C ATOM 1837 OD1 ASP A 124 113.958 -11.838 -6.148 1.00 0.00 O ATOM 1838 OD2 ASP A 124 114.874 -10.638 -4.612 1.00 0.00 O ATOM 0 H ASP A 124 116.085 -9.518 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 124 113.311 -10.581 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 124 114.718 -8.721 -6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 124 113.010 -9.112 -6.193 1.00 0.00 H new ATOM 1843 N PHE A 125 112.465 -8.580 -9.390 1.00 0.00 N ATOM 1844 CA PHE A 125 111.935 -7.427 -10.111 1.00 0.00 C ATOM 1845 C PHE A 125 110.569 -7.063 -9.544 1.00 0.00 C ATOM 1846 O PHE A 125 109.710 -7.931 -9.410 1.00 0.00 O ATOM 1847 CB PHE A 125 111.806 -7.752 -11.599 1.00 0.00 C ATOM 1848 CG PHE A 125 111.370 -6.574 -12.439 1.00 0.00 C ATOM 1849 CD1 PHE A 125 112.320 -5.660 -12.910 1.00 0.00 C ATOM 1850 CD2 PHE A 125 110.016 -6.398 -12.746 1.00 0.00 C ATOM 1851 CE1 PHE A 125 111.915 -4.569 -13.689 1.00 0.00 C ATOM 1852 CE2 PHE A 125 109.611 -5.306 -13.523 1.00 0.00 C ATOM 1853 CZ PHE A 125 110.561 -4.393 -13.995 1.00 0.00 C ATOM 0 H PHE A 125 111.871 -9.408 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 125 112.617 -6.585 -9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 125 112.765 -8.115 -11.968 1.00 0.00 H new ATOM 0 HB3 PHE A 125 111.088 -8.563 -11.725 1.00 0.00 H new ATOM 0 HD1 PHE A 125 113.365 -5.796 -12.673 1.00 0.00 H new ATOM 0 HD2 PHE A 125 109.284 -7.104 -12.384 1.00 0.00 H new ATOM 0 HE1 PHE A 125 112.647 -3.864 -14.053 1.00 0.00 H new ATOM 0 HE2 PHE A 125 108.566 -5.168 -13.758 1.00 0.00 H new ATOM 0 HZ PHE A 125 110.249 -3.552 -14.596 1.00 0.00 H new ATOM 1863 N SER A 126 110.372 -5.793 -9.207 1.00 0.00 N ATOM 1864 CA SER A 126 109.120 -5.372 -8.587 1.00 0.00 C ATOM 1865 C SER A 126 108.692 -3.993 -9.075 1.00 0.00 C ATOM 1866 O SER A 126 109.525 -3.122 -9.327 1.00 0.00 O ATOM 1867 CB SER A 126 109.281 -5.344 -7.066 1.00 0.00 C ATOM 1868 OG SER A 126 108.030 -5.027 -6.470 1.00 0.00 O ATOM 0 H SER A 126 111.052 -5.046 -9.350 1.00 0.00 H new ATOM 0 HA SER A 126 108.349 -6.089 -8.869 1.00 0.00 H new ATOM 0 HB2 SER A 126 109.634 -6.311 -6.708 1.00 0.00 H new ATOM 0 HB3 SER A 126 110.031 -4.606 -6.781 1.00 0.00 H new ATOM 0 HG SER A 126 107.309 -5.203 -7.110 1.00 0.00 H new ATOM 1874 N TYR A 127 107.382 -3.808 -9.205 1.00 0.00 N ATOM 1875 CA TYR A 127 106.822 -2.512 -9.569 1.00 0.00 C ATOM 1876 C TYR A 127 106.040 -1.947 -8.389 1.00 0.00 C ATOM 1877 O TYR A 127 105.081 -2.559 -7.919 1.00 0.00 O ATOM 1878 CB TYR A 127 105.898 -2.671 -10.778 1.00 0.00 C ATOM 1879 CG TYR A 127 105.294 -1.370 -11.249 1.00 0.00 C ATOM 1880 CD1 TYR A 127 104.071 -0.937 -10.724 1.00 0.00 C ATOM 1881 CD2 TYR A 127 105.955 -0.597 -12.212 1.00 0.00 C ATOM 1882 CE1 TYR A 127 103.509 0.266 -11.160 1.00 0.00 C ATOM 1883 CE2 TYR A 127 105.392 0.609 -12.648 1.00 0.00 C ATOM 1884 CZ TYR A 127 104.169 1.040 -12.122 1.00 0.00 C ATOM 1885 OH TYR A 127 103.614 2.229 -12.552 1.00 0.00 O ATOM 0 H TYR A 127 106.687 -4.541 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 127 107.629 -1.827 -9.826 1.00 0.00 H new ATOM 0 HB2 TYR A 127 106.459 -3.120 -11.598 1.00 0.00 H new ATOM 0 HB3 TYR A 127 105.096 -3.364 -10.524 1.00 0.00 H new ATOM 0 HD1 TYR A 127 103.561 -1.533 -9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 127 106.898 -0.931 -12.618 1.00 0.00 H new ATOM 0 HE1 TYR A 127 102.565 0.599 -10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 127 105.902 1.206 -13.390 1.00 0.00 H new ATOM 0 HH TYR A 127 104.201 2.641 -13.220 1.00 0.00 H new ATOM 1895 N GLU A 128 106.452 -0.775 -7.911 1.00 0.00 N ATOM 1896 CA GLU A 128 105.858 -0.190 -6.712 1.00 0.00 C ATOM 1897 C GLU A 128 105.338 1.219 -6.979 1.00 0.00 C ATOM 1898 O GLU A 128 105.988 2.017 -7.654 1.00 0.00 O ATOM 1899 CB GLU A 128 106.905 -0.142 -5.597 1.00 0.00 C ATOM 1900 CG GLU A 128 106.242 0.286 -4.282 1.00 0.00 C ATOM 1901 CD GLU A 128 107.265 0.435 -3.148 1.00 0.00 C ATOM 1902 OE1 GLU A 128 108.452 0.249 -3.382 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.839 0.736 -2.046 1.00 0.00 O ATOM 0 H GLU A 128 107.192 -0.214 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 128 105.015 -0.813 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 128 107.370 -1.121 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 128 107.698 0.558 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.722 1.233 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 128 105.490 -0.450 -3.998 1.00 0.00 H new ATOM 1910 N GLN A 129 104.158 1.513 -6.438 1.00 0.00 N ATOM 1911 CA GLN A 129 103.580 2.849 -6.534 1.00 0.00 C ATOM 1912 C GLN A 129 103.224 3.352 -5.140 1.00 0.00 C ATOM 1913 O GLN A 129 102.891 2.560 -4.259 1.00 0.00 O ATOM 1914 CB GLN A 129 102.321 2.834 -7.403 1.00 0.00 C ATOM 1915 CG GLN A 129 102.689 2.513 -8.853 1.00 0.00 C ATOM 1916 CD GLN A 129 101.430 2.427 -9.712 1.00 0.00 C ATOM 1917 OE1 GLN A 129 100.334 2.198 -9.196 1.00 0.00 O ATOM 1918 NE2 GLN A 129 101.517 2.614 -11.001 1.00 0.00 N ATOM 0 H GLN A 129 103.583 0.842 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 129 104.314 3.511 -6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 129 101.617 2.092 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 129 101.822 3.802 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 129 103.354 3.283 -9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 129 103.233 1.569 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 129 102.423 2.804 -11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 129 100.679 2.571 -11.580 1.00 0.00 H new ATOM 1927 N SER A 130 103.306 4.663 -4.942 1.00 0.00 N ATOM 1928 CA SER A 130 102.977 5.246 -3.647 1.00 0.00 C ATOM 1929 C SER A 130 102.225 6.560 -3.823 1.00 0.00 C ATOM 1930 O SER A 130 102.451 7.291 -4.787 1.00 0.00 O ATOM 1931 CB SER A 130 104.255 5.489 -2.843 1.00 0.00 C ATOM 1932 OG SER A 130 105.005 6.526 -3.458 1.00 0.00 O ATOM 0 H SER A 130 103.594 5.335 -5.653 1.00 0.00 H new ATOM 0 HA SER A 130 102.337 4.547 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.007 5.763 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.847 4.575 -2.795 1.00 0.00 H new ATOM 0 HG SER A 130 105.824 6.686 -2.945 1.00 0.00 H new ATOM 1938 N ARG A 131 101.336 6.851 -2.879 1.00 0.00 N ATOM 1939 CA ARG A 131 100.569 8.092 -2.904 1.00 0.00 C ATOM 1940 C ARG A 131 100.926 8.947 -1.694 1.00 0.00 C ATOM 1941 O ARG A 131 100.861 8.479 -0.555 1.00 0.00 O ATOM 1942 CB ARG A 131 99.071 7.782 -2.892 1.00 0.00 C ATOM 1943 CG ARG A 131 98.277 9.080 -3.055 1.00 0.00 C ATOM 1944 CD ARG A 131 96.781 8.786 -2.934 1.00 0.00 C ATOM 1945 NE ARG A 131 96.362 7.855 -3.986 1.00 0.00 N ATOM 1946 CZ ARG A 131 96.312 8.182 -5.287 1.00 0.00 C ATOM 1947 NH1 ARG A 131 96.635 9.376 -5.720 1.00 0.00 N ATOM 1948 NH2 ARG A 131 95.927 7.281 -6.149 1.00 0.00 N ATOM 0 H ARG A 131 101.128 6.244 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 131 100.813 8.639 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.826 7.090 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.798 7.292 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 131 98.579 9.800 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.492 9.530 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.565 8.360 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.213 9.713 -3.011 1.00 0.00 H new ATOM 0 HE ARG A 131 96.094 6.909 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.937 10.093 -5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 131 96.585 9.588 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 131 95.670 6.347 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 131 95.883 7.511 -7.142 1.00 0.00 H new ATOM 1962 N ILE A 132 101.327 10.187 -1.960 1.00 0.00 N ATOM 1963 CA ILE A 132 101.722 11.110 -0.904 1.00 0.00 C ATOM 1964 C ILE A 132 100.923 12.384 -1.097 1.00 0.00 C ATOM 1965 O ILE A 132 101.325 13.246 -1.877 1.00 0.00 O ATOM 1966 CB ILE A 132 103.221 11.411 -0.990 1.00 0.00 C ATOM 1967 CG1 ILE A 132 104.010 10.103 -0.882 1.00 0.00 C ATOM 1968 CG2 ILE A 132 103.625 12.341 0.157 1.00 0.00 C ATOM 1969 CD1 ILE A 132 105.494 10.378 -1.127 1.00 0.00 C ATOM 0 H ILE A 132 101.387 10.575 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 132 101.527 10.675 0.076 1.00 0.00 H new ATOM 0 HB ILE A 132 103.438 11.893 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.870 9.662 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 132 103.639 9.381 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 132 104.692 12.554 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 132 103.064 13.273 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.407 11.859 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 132 106.054 9.446 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.626 10.799 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.861 11.085 -0.383 1.00 0.00 H new ATOM 1981 N ARG A 133 99.796 12.482 -0.385 1.00 0.00 N ATOM 1982 CA ARG A 133 98.728 13.463 -0.643 1.00 0.00 C ATOM 1983 C ARG A 133 98.780 14.137 -2.025 1.00 0.00 C ATOM 1984 O ARG A 133 99.511 15.096 -2.258 1.00 0.00 O ATOM 1985 CB ARG A 133 98.709 14.496 0.494 1.00 0.00 C ATOM 1986 CG ARG A 133 100.030 15.269 0.574 1.00 0.00 C ATOM 1987 CD ARG A 133 100.077 16.050 1.889 1.00 0.00 C ATOM 1988 NE ARG A 133 101.278 16.889 1.935 1.00 0.00 N ATOM 1989 CZ ARG A 133 101.733 17.471 3.055 1.00 0.00 C ATOM 1990 NH1 ARG A 133 101.125 17.338 4.209 1.00 0.00 N ATOM 1991 NH2 ARG A 133 102.818 18.194 2.993 1.00 0.00 N ATOM 0 H ARG A 133 99.593 11.870 0.405 1.00 0.00 H new ATOM 0 HA ARG A 133 97.792 12.905 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 133 97.887 15.194 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.524 13.991 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 133 100.873 14.580 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.118 15.951 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 133 99.186 16.671 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 133 100.075 15.359 2.732 1.00 0.00 H new ATOM 0 HE ARG A 133 101.796 17.038 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 133 100.276 16.777 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 133 101.501 17.796 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 133 103.304 18.309 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 133 103.179 18.644 3.834 1.00 0.00 H new ATOM 2005 N SER A 134 98.017 13.572 -2.959 1.00 0.00 N ATOM 2006 CA SER A 134 97.775 14.187 -4.272 1.00 0.00 C ATOM 2007 C SER A 134 98.969 14.073 -5.225 1.00 0.00 C ATOM 2008 O SER A 134 98.821 14.353 -6.416 1.00 0.00 O ATOM 2009 CB SER A 134 97.377 15.661 -4.136 1.00 0.00 C ATOM 2010 OG SER A 134 96.316 15.774 -3.196 1.00 0.00 O ATOM 0 H SER A 134 97.547 12.676 -2.831 1.00 0.00 H new ATOM 0 HA SER A 134 96.950 13.622 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.232 16.252 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 134 97.066 16.057 -5.103 1.00 0.00 H new ATOM 0 HG SER A 134 96.059 16.715 -3.104 1.00 0.00 H new ATOM 2016 N VAL A 135 100.145 13.671 -4.734 1.00 0.00 N ATOM 2017 CA VAL A 135 101.306 13.499 -5.605 1.00 0.00 C ATOM 2018 C VAL A 135 101.537 12.011 -5.852 1.00 0.00 C ATOM 2019 O VAL A 135 101.510 11.215 -4.915 1.00 0.00 O ATOM 2020 CB VAL A 135 102.553 14.119 -4.963 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.738 14.013 -5.924 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.293 15.596 -4.652 1.00 0.00 C ATOM 0 H VAL A 135 100.315 13.461 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 135 101.117 14.003 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 135 102.780 13.583 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.621 14.455 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 135 103.932 12.964 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.506 14.544 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.181 16.034 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.060 16.127 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.452 15.680 -3.963 1.00 0.00 H new ATOM 2032 N ASP A 136 101.753 11.640 -7.112 1.00 0.00 N ATOM 2033 CA ASP A 136 101.924 10.231 -7.461 1.00 0.00 C ATOM 2034 C ASP A 136 103.392 9.917 -7.722 1.00 0.00 C ATOM 2035 O ASP A 136 104.043 10.587 -8.520 1.00 0.00 O ATOM 2036 CB ASP A 136 101.095 9.897 -8.704 1.00 0.00 C ATOM 2037 CG ASP A 136 99.604 10.056 -8.413 1.00 0.00 C ATOM 2038 OD1 ASP A 136 99.209 9.843 -7.278 1.00 0.00 O ATOM 2039 OD2 ASP A 136 98.877 10.391 -9.333 1.00 0.00 O ATOM 0 H ASP A 136 101.813 12.286 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 136 101.581 9.624 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 136 101.383 10.552 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 136 101.302 8.875 -9.022 1.00 0.00 H new ATOM 2044 N VAL A 137 103.915 8.891 -7.058 1.00 0.00 N ATOM 2045 CA VAL A 137 105.318 8.513 -7.224 1.00 0.00 C ATOM 2046 C VAL A 137 105.412 7.088 -7.761 1.00 0.00 C ATOM 2047 O VAL A 137 104.769 6.179 -7.237 1.00 0.00 O ATOM 2048 CB VAL A 137 106.049 8.613 -5.879 1.00 0.00 C ATOM 2049 CG1 VAL A 137 107.535 8.303 -6.069 1.00 0.00 C ATOM 2050 CG2 VAL A 137 105.907 10.029 -5.313 1.00 0.00 C ATOM 0 H VAL A 137 103.394 8.308 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 137 105.787 9.193 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 137 105.609 7.894 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 137 108.047 8.376 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 137 107.648 7.294 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 137 107.969 9.018 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 137 106.428 10.093 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 137 106.340 10.745 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.851 10.258 -5.166 1.00 0.00 H new ATOM 2060 N GLY A 138 106.215 6.902 -8.806 1.00 0.00 N ATOM 2061 CA GLY A 138 106.395 5.581 -9.406 1.00 0.00 C ATOM 2062 C GLY A 138 107.862 5.175 -9.360 1.00 0.00 C ATOM 2063 O GLY A 138 108.730 5.940 -9.775 1.00 0.00 O ATOM 0 H GLY A 138 106.750 7.646 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 138 105.791 4.847 -8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 138 106.046 5.592 -10.439 1.00 0.00 H new ATOM 2067 N THR A 139 108.142 3.979 -8.848 1.00 0.00 N ATOM 2068 CA THR A 139 109.522 3.516 -8.728 1.00 0.00 C ATOM 2069 C THR A 139 109.672 2.078 -9.219 1.00 0.00 C ATOM 2070 O THR A 139 108.781 1.249 -9.035 1.00 0.00 O ATOM 2071 CB THR A 139 109.977 3.624 -7.268 1.00 0.00 C ATOM 2072 OG1 THR A 139 111.340 3.237 -7.168 1.00 0.00 O ATOM 2073 CG2 THR A 139 109.116 2.725 -6.373 1.00 0.00 C ATOM 0 H THR A 139 107.440 3.319 -8.513 1.00 0.00 H new ATOM 0 HA THR A 139 110.150 4.149 -9.355 1.00 0.00 H new ATOM 0 HB THR A 139 109.865 4.656 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 139 111.861 3.690 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 139 109.451 2.812 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 139 108.073 3.033 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 139 109.211 1.689 -6.699 1.00 0.00 H new ATOM 2081 N TRP A 140 110.811 1.794 -9.846 1.00 0.00 N ATOM 2082 CA TRP A 140 111.133 0.434 -10.266 1.00 0.00 C ATOM 2083 C TRP A 140 112.236 -0.126 -9.376 1.00 0.00 C ATOM 2084 O TRP A 140 113.232 0.548 -9.114 1.00 0.00 O ATOM 2085 CB TRP A 140 111.597 0.428 -11.724 1.00 0.00 C ATOM 2086 CG TRP A 140 110.528 0.829 -12.692 1.00 0.00 C ATOM 2087 CD1 TRP A 140 109.438 0.088 -12.994 1.00 0.00 C ATOM 2088 CD2 TRP A 140 110.432 2.044 -13.489 1.00 0.00 C ATOM 2089 NE1 TRP A 140 108.676 0.772 -13.924 1.00 0.00 N ATOM 2090 CE2 TRP A 140 109.246 1.982 -14.261 1.00 0.00 C ATOM 2091 CE3 TRP A 140 111.246 3.183 -13.616 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 108.884 3.016 -15.129 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 110.886 4.222 -14.487 1.00 0.00 C ATOM 2094 CH2 TRP A 140 109.709 4.140 -15.241 1.00 0.00 C ATOM 0 H TRP A 140 111.525 2.486 -10.074 1.00 0.00 H new ATOM 0 HA TRP A 140 110.241 -0.186 -10.176 1.00 0.00 H new ATOM 0 HB2 TRP A 140 112.445 1.105 -11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 140 111.952 -0.570 -11.980 1.00 0.00 H new ATOM 0 HD1 TRP A 140 109.201 -0.880 -12.577 1.00 0.00 H new ATOM 0 HE1 TRP A 140 107.800 0.424 -14.313 1.00 0.00 H new ATOM 0 HE3 TRP A 140 112.156 3.259 -13.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 107.975 2.948 -15.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 111.521 5.091 -14.577 1.00 0.00 H new ATOM 0 HH2 TRP A 140 109.438 4.944 -15.909 1.00 0.00 H new ATOM 2105 N ILE A 141 112.059 -1.361 -8.913 1.00 0.00 N ATOM 2106 CA ILE A 141 113.014 -1.970 -7.987 1.00 0.00 C ATOM 2107 C ILE A 141 113.643 -3.213 -8.608 1.00 0.00 C ATOM 2108 O ILE A 141 112.941 -4.098 -9.097 1.00 0.00 O ATOM 2109 CB ILE A 141 112.306 -2.352 -6.679 1.00 0.00 C ATOM 2110 CG1 ILE A 141 111.616 -1.123 -6.077 1.00 0.00 C ATOM 2111 CG2 ILE A 141 113.328 -2.886 -5.672 1.00 0.00 C ATOM 2112 CD1 ILE A 141 110.766 -1.548 -4.878 1.00 0.00 C ATOM 0 H ILE A 141 111.269 -1.957 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 141 113.800 -1.245 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 141 111.564 -3.120 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 141 112.361 -0.391 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 141 110.989 -0.641 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 141 112.820 -3.155 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 141 113.820 -3.766 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 141 114.073 -2.117 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 141 110.276 -0.673 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.011 -2.264 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 141 111.404 -2.010 -4.125 1.00 0.00 H new ATOM 2124 N ALA A 142 114.970 -3.271 -8.588 1.00 0.00 N ATOM 2125 CA ALA A 142 115.681 -4.464 -9.038 1.00 0.00 C ATOM 2126 C ALA A 142 116.827 -4.775 -8.080 1.00 0.00 C ATOM 2127 O ALA A 142 117.542 -3.867 -7.655 1.00 0.00 O ATOM 2128 CB ALA A 142 116.234 -4.247 -10.447 1.00 0.00 C ATOM 0 H ALA A 142 115.572 -2.513 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 142 114.986 -5.303 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 142 116.762 -5.143 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 142 115.412 -4.041 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 142 116.922 -3.402 -10.442 1.00 0.00 H new ATOM 2134 N GLY A 143 116.995 -6.052 -7.737 1.00 0.00 N ATOM 2135 CA GLY A 143 118.048 -6.434 -6.801 1.00 0.00 C ATOM 2136 C GLY A 143 118.457 -7.892 -6.966 1.00 0.00 C ATOM 2137 O GLY A 143 117.908 -8.613 -7.798 1.00 0.00 O ATOM 0 H GLY A 143 116.427 -6.824 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 143 118.917 -5.794 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 143 117.704 -6.267 -5.780 1.00 0.00 H new ATOM 2141 N VAL A 144 119.405 -8.321 -6.139 1.00 0.00 N ATOM 2142 CA VAL A 144 119.929 -9.680 -6.207 1.00 0.00 C ATOM 2143 C VAL A 144 120.094 -10.230 -4.793 1.00 0.00 C ATOM 2144 O VAL A 144 120.326 -9.465 -3.858 1.00 0.00 O ATOM 2145 CB VAL A 144 121.268 -9.688 -6.957 1.00 0.00 C ATOM 2146 CG1 VAL A 144 122.297 -8.831 -6.214 1.00 0.00 C ATOM 2147 CG2 VAL A 144 121.788 -11.123 -7.071 1.00 0.00 C ATOM 0 H VAL A 144 119.827 -7.744 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 144 119.231 -10.316 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 144 121.114 -9.275 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 144 123.242 -8.845 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 144 121.934 -7.806 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 144 122.448 -9.231 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 144 122.739 -11.124 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 144 121.931 -11.539 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 144 121.065 -11.730 -7.617 1.00 0.00 H new ATOM 2157 N GLY A 145 119.947 -11.543 -4.634 1.00 0.00 N ATOM 2158 CA GLY A 145 120.034 -12.146 -3.308 1.00 0.00 C ATOM 2159 C GLY A 145 120.766 -13.483 -3.334 1.00 0.00 C ATOM 2160 O GLY A 145 120.856 -14.134 -4.374 1.00 0.00 O ATOM 0 H GLY A 145 119.770 -12.200 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 145 120.550 -11.463 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 145 119.030 -12.290 -2.909 1.00 0.00 H new ATOM 2164 N TYR A 146 121.267 -13.881 -2.167 1.00 0.00 N ATOM 2165 CA TYR A 146 121.990 -15.140 -2.025 1.00 0.00 C ATOM 2166 C TYR A 146 121.320 -15.998 -0.957 1.00 0.00 C ATOM 2167 O TYR A 146 120.842 -15.476 0.049 1.00 0.00 O ATOM 2168 CB TYR A 146 123.439 -14.867 -1.618 1.00 0.00 C ATOM 2169 CG TYR A 146 124.173 -13.950 -2.568 1.00 0.00 C ATOM 2170 CD1 TYR A 146 124.797 -14.473 -3.707 1.00 0.00 C ATOM 2171 CD2 TYR A 146 124.230 -12.576 -2.306 1.00 0.00 C ATOM 2172 CE1 TYR A 146 125.478 -13.621 -4.585 1.00 0.00 C ATOM 2173 CE2 TYR A 146 124.911 -11.724 -3.185 1.00 0.00 C ATOM 2174 CZ TYR A 146 125.534 -12.247 -4.324 1.00 0.00 C ATOM 2175 OH TYR A 146 126.207 -11.407 -5.190 1.00 0.00 O ATOM 0 H TYR A 146 121.184 -13.346 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 146 121.976 -15.666 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 146 123.450 -14.427 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 146 123.974 -15.814 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 146 124.753 -15.533 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 146 123.749 -12.173 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 146 125.960 -14.024 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 146 124.955 -10.664 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 146 126.149 -10.485 -4.863 1.00 0.00 H new ATOM 2185 N ARG A 147 121.290 -17.310 -1.178 1.00 0.00 N ATOM 2186 CA ARG A 147 120.659 -18.228 -0.233 1.00 0.00 C ATOM 2187 C ARG A 147 121.705 -19.110 0.439 1.00 0.00 C ATOM 2188 O ARG A 147 122.607 -19.629 -0.219 1.00 0.00 O ATOM 2189 CB ARG A 147 119.646 -19.108 -0.968 1.00 0.00 C ATOM 2190 CG ARG A 147 118.873 -19.957 0.044 1.00 0.00 C ATOM 2191 CD ARG A 147 117.809 -20.778 -0.687 1.00 0.00 C ATOM 2192 NE ARG A 147 118.445 -21.809 -1.514 1.00 0.00 N ATOM 2193 CZ ARG A 147 117.809 -22.909 -1.944 1.00 0.00 C ATOM 2194 NH1 ARG A 147 116.553 -23.150 -1.652 1.00 0.00 N ATOM 2195 NH2 ARG A 147 118.463 -23.769 -2.676 1.00 0.00 N ATOM 0 H ARG A 147 121.693 -17.760 -2.000 1.00 0.00 H new ATOM 0 HA ARG A 147 120.150 -17.642 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 147 118.956 -18.487 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 147 120.159 -19.752 -1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 147 119.556 -20.619 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 147 118.404 -19.316 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 147 117.138 -21.243 0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 147 117.200 -20.124 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 147 119.423 -21.683 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 147 116.027 -22.490 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 147 116.103 -23.998 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 147 119.441 -23.599 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 147 117.996 -24.611 -3.012 1.00 0.00 H new ATOM 2209 N PHE A 148 121.580 -19.277 1.752 1.00 0.00 N ATOM 2210 CA PHE A 148 122.517 -20.107 2.499 1.00 0.00 C ATOM 2211 C PHE A 148 121.789 -20.889 3.587 1.00 0.00 C ATOM 2212 O PHE A 148 120.770 -20.407 4.053 1.00 0.00 O ATOM 2213 CB PHE A 148 123.598 -19.232 3.135 1.00 0.00 C ATOM 2214 CG PHE A 148 124.676 -20.022 3.837 1.00 0.00 C ATOM 2215 CD1 PHE A 148 124.537 -20.347 5.192 1.00 0.00 C ATOM 2216 CD2 PHE A 148 125.816 -20.431 3.133 1.00 0.00 C ATOM 2217 CE1 PHE A 148 125.536 -21.081 5.843 1.00 0.00 C ATOM 2218 CE2 PHE A 148 126.815 -21.165 3.784 1.00 0.00 C ATOM 2219 CZ PHE A 148 126.675 -21.489 5.139 1.00 0.00 C ATOM 2220 OXT PHE A 148 122.261 -21.958 3.938 1.00 0.00 O ATOM 0 H PHE A 148 120.845 -18.852 2.317 1.00 0.00 H new ATOM 0 HA PHE A 148 122.980 -20.811 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 148 124.056 -18.615 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 148 123.132 -18.554 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 148 123.659 -20.031 5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 148 125.924 -20.180 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 148 125.428 -21.332 6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 148 127.693 -21.481 3.241 1.00 0.00 H new ATOM 0 HZ PHE A 148 127.446 -22.054 5.641 1.00 0.00 H new TER 2230 PHE A 148