USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 793 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 74 LYS NZ :NH3+ -115:sc= 0.54 (180deg=0.686) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0.517 USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 0.501 (180deg=0.398) USER MOD Single : A 9 SER OG : rot 180:sc= -0.745 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0889 X(o=0.089,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 72:sc= 0.689 USER MOD Single : A 19 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.247 (180deg=-1.89!) USER MOD Single : A 24 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-0.9) USER MOD Single : A 25 ASN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 26 TYR OH : rot 80:sc= 0.231 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -40:sc= 0.474 USER MOD Single : A 36 SER OG : rot 180:sc= 0.115 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -158:sc= -0.137 (180deg=-0.583) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.944 (180deg=0.341) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.149 USER MOD Single : A 63 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-0.85) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.382 F(o=-0.96,f=-0.38) USER MOD Single : A 70 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.58) USER MOD Single : A 71 ASN : amide:sc= -0.0733 X(o=-0.073,f=-0.34) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.308 (180deg=0.284) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 51:sc= 0.406 USER MOD Single : A 92 THR OG1 : rot 94:sc= 0.944 USER MOD Single : A 93 GLN : amide:sc= -0.0789 K(o=-0.079,f=-1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -74:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.257 1.735 12.971 1.00 31.42 N ATOM 21 CA GLY A 2 4.725 2.148 11.636 1.00 44.55 C ATOM 22 C GLY A 2 3.584 2.556 10.698 1.00 2.03 C ATOM 23 O GLY A 2 2.410 2.225 10.951 1.00 44.41 O ATOM 0 HA2 GLY A 2 5.416 2.984 11.743 1.00 44.55 H new ATOM 0 HA3 GLY A 2 5.283 1.328 11.184 1.00 44.55 H new ATOM 27 N LYS A 3 3.926 3.273 9.606 1.00 70.05 N ATOM 28 CA LYS A 3 2.938 3.804 8.641 1.00 63.31 C ATOM 29 C LYS A 3 3.008 3.055 7.298 1.00 40.10 C ATOM 30 O LYS A 3 4.078 2.608 6.887 1.00 63.24 O ATOM 31 CB LYS A 3 3.127 5.336 8.430 1.00 12.21 C ATOM 32 CG LYS A 3 2.131 5.946 7.408 1.00 33.42 C ATOM 33 CD LYS A 3 2.185 7.480 7.286 1.00 30.50 C ATOM 34 CE LYS A 3 1.484 8.211 8.442 1.00 44.22 C ATOM 35 NZ LYS A 3 1.351 9.667 8.174 1.00 64.20 N ATOM 0 H LYS A 3 4.892 3.500 9.369 1.00 70.05 H new ATOM 0 HA LYS A 3 1.947 3.640 9.064 1.00 63.31 H new ATOM 0 HB2 LYS A 3 3.010 5.844 9.387 1.00 12.21 H new ATOM 0 HB3 LYS A 3 4.145 5.525 8.091 1.00 12.21 H new ATOM 0 HG2 LYS A 3 2.327 5.511 6.428 1.00 33.42 H new ATOM 0 HG3 LYS A 3 1.119 5.654 7.690 1.00 33.42 H new ATOM 0 HD2 LYS A 3 3.227 7.797 7.245 1.00 30.50 H new ATOM 0 HD3 LYS A 3 1.724 7.778 6.345 1.00 30.50 H new ATOM 0 HE2 LYS A 3 0.496 7.779 8.600 1.00 44.22 H new ATOM 0 HE3 LYS A 3 2.048 8.061 9.362 1.00 44.22 H new ATOM 0 HZ1 LYS A 3 0.677 10.084 8.847 1.00 64.20 H new ATOM 0 HZ2 LYS A 3 2.278 10.126 8.283 1.00 64.20 H new ATOM 0 HZ3 LYS A 3 1.005 9.811 7.204 1.00 64.20 H new ATOM 49 N VAL A 4 1.838 2.927 6.632 1.00 50.13 N ATOM 50 CA VAL A 4 1.690 2.288 5.309 1.00 54.31 C ATOM 51 C VAL A 4 1.171 3.319 4.271 1.00 61.10 C ATOM 52 O VAL A 4 0.439 4.238 4.624 1.00 44.32 O ATOM 53 CB VAL A 4 0.675 1.083 5.393 1.00 3.11 C ATOM 54 CG1 VAL A 4 0.570 0.335 4.045 1.00 41.04 C ATOM 55 CG2 VAL A 4 1.045 0.104 6.539 1.00 42.15 C ATOM 0 H VAL A 4 0.955 3.272 7.008 1.00 50.13 H new ATOM 0 HA VAL A 4 2.666 1.917 4.997 1.00 54.31 H new ATOM 0 HB VAL A 4 -0.304 1.506 5.618 1.00 3.11 H new ATOM 0 HG11 VAL A 4 -0.138 -0.489 4.140 1.00 41.04 H new ATOM 0 HG12 VAL A 4 0.225 1.023 3.273 1.00 41.04 H new ATOM 0 HG13 VAL A 4 1.549 -0.058 3.770 1.00 41.04 H new ATOM 0 HG21 VAL A 4 0.324 -0.713 6.567 1.00 42.15 H new ATOM 0 HG22 VAL A 4 2.043 -0.298 6.366 1.00 42.15 H new ATOM 0 HG23 VAL A 4 1.028 0.635 7.491 1.00 42.15 H new ATOM 65 N LEU A 5 1.580 3.169 3.000 1.00 55.25 N ATOM 66 CA LEU A 5 0.989 3.894 1.858 1.00 30.05 C ATOM 67 C LEU A 5 0.088 2.917 1.085 1.00 34.25 C ATOM 68 O LEU A 5 0.587 1.991 0.441 1.00 55.02 O ATOM 69 CB LEU A 5 2.100 4.454 0.934 1.00 63.43 C ATOM 70 CG LEU A 5 1.617 5.294 -0.299 1.00 41.45 C ATOM 71 CD1 LEU A 5 0.877 6.573 0.141 1.00 12.20 C ATOM 72 CD2 LEU A 5 2.791 5.625 -1.242 1.00 41.44 C ATOM 0 H LEU A 5 2.335 2.537 2.732 1.00 55.25 H new ATOM 0 HA LEU A 5 0.402 4.739 2.217 1.00 30.05 H new ATOM 0 HB2 LEU A 5 2.763 5.077 1.534 1.00 63.43 H new ATOM 0 HB3 LEU A 5 2.694 3.617 0.567 1.00 63.43 H new ATOM 0 HG LEU A 5 0.906 4.681 -0.853 1.00 41.45 H new ATOM 0 HD11 LEU A 5 0.557 7.130 -0.740 1.00 12.20 H new ATOM 0 HD12 LEU A 5 0.005 6.302 0.736 1.00 12.20 H new ATOM 0 HD13 LEU A 5 1.545 7.193 0.739 1.00 12.20 H new ATOM 0 HD21 LEU A 5 2.425 6.208 -2.087 1.00 41.44 H new ATOM 0 HD22 LEU A 5 3.541 6.202 -0.701 1.00 41.44 H new ATOM 0 HD23 LEU A 5 3.238 4.700 -1.605 1.00 41.44 H new ATOM 84 N LEU A 6 -1.233 3.119 1.161 1.00 62.02 N ATOM 85 CA LEU A 6 -2.218 2.215 0.548 1.00 32.32 C ATOM 86 C LEU A 6 -2.540 2.694 -0.881 1.00 21.12 C ATOM 87 O LEU A 6 -3.349 3.603 -1.068 1.00 22.03 O ATOM 88 CB LEU A 6 -3.504 2.166 1.411 1.00 52.03 C ATOM 89 CG LEU A 6 -4.587 1.131 0.953 1.00 44.22 C ATOM 90 CD1 LEU A 6 -4.112 -0.324 1.180 1.00 71.01 C ATOM 91 CD2 LEU A 6 -5.937 1.406 1.636 1.00 54.24 C ATOM 0 H LEU A 6 -1.650 3.912 1.648 1.00 62.02 H new ATOM 0 HA LEU A 6 -1.802 1.209 0.496 1.00 32.32 H new ATOM 0 HB2 LEU A 6 -3.222 1.939 2.439 1.00 52.03 H new ATOM 0 HB3 LEU A 6 -3.955 3.158 1.416 1.00 52.03 H new ATOM 0 HG LEU A 6 -4.733 1.253 -0.120 1.00 44.22 H new ATOM 0 HD11 LEU A 6 -4.888 -1.015 0.851 1.00 71.01 H new ATOM 0 HD12 LEU A 6 -3.201 -0.503 0.609 1.00 71.01 H new ATOM 0 HD13 LEU A 6 -3.912 -0.480 2.240 1.00 71.01 H new ATOM 0 HD21 LEU A 6 -6.671 0.673 1.300 1.00 54.24 H new ATOM 0 HD22 LEU A 6 -5.819 1.333 2.717 1.00 54.24 H new ATOM 0 HD23 LEU A 6 -6.279 2.408 1.375 1.00 54.24 H new ATOM 103 N VAL A 7 -1.899 2.073 -1.879 1.00 41.43 N ATOM 104 CA VAL A 7 -2.017 2.468 -3.290 1.00 51.03 C ATOM 105 C VAL A 7 -3.193 1.730 -3.966 1.00 71.04 C ATOM 106 O VAL A 7 -3.145 0.514 -4.186 1.00 61.14 O ATOM 107 CB VAL A 7 -0.681 2.187 -4.070 1.00 73.21 C ATOM 108 CG1 VAL A 7 -0.810 2.560 -5.571 1.00 54.34 C ATOM 109 CG2 VAL A 7 0.512 2.926 -3.409 1.00 24.32 C ATOM 0 H VAL A 7 -1.279 1.277 -1.730 1.00 41.43 H new ATOM 0 HA VAL A 7 -2.212 3.540 -3.320 1.00 51.03 H new ATOM 0 HB VAL A 7 -0.485 1.116 -4.016 1.00 73.21 H new ATOM 0 HG11 VAL A 7 0.132 2.353 -6.080 1.00 54.34 H new ATOM 0 HG12 VAL A 7 -1.605 1.970 -6.026 1.00 54.34 H new ATOM 0 HG13 VAL A 7 -1.047 3.620 -5.663 1.00 54.34 H new ATOM 0 HG21 VAL A 7 1.424 2.716 -3.967 1.00 24.32 H new ATOM 0 HG22 VAL A 7 0.323 3.999 -3.414 1.00 24.32 H new ATOM 0 HG23 VAL A 7 0.628 2.583 -2.381 1.00 24.32 H new ATOM 119 N ILE A 8 -4.254 2.496 -4.255 1.00 1.24 N ATOM 120 CA ILE A 8 -5.450 2.043 -4.980 1.00 31.11 C ATOM 121 C ILE A 8 -5.439 2.657 -6.398 1.00 60.53 C ATOM 122 O ILE A 8 -5.022 3.809 -6.580 1.00 73.34 O ATOM 123 CB ILE A 8 -6.768 2.488 -4.235 1.00 3.32 C ATOM 124 CG1 ILE A 8 -6.705 2.108 -2.721 1.00 74.12 C ATOM 125 CG2 ILE A 8 -8.035 1.885 -4.907 1.00 30.51 C ATOM 126 CD1 ILE A 8 -7.906 2.553 -1.908 1.00 61.14 C ATOM 0 H ILE A 8 -4.306 3.478 -3.983 1.00 1.24 H new ATOM 0 HA ILE A 8 -5.434 0.954 -5.033 1.00 31.11 H new ATOM 0 HB ILE A 8 -6.841 3.573 -4.312 1.00 3.32 H new ATOM 0 HG12 ILE A 8 -6.605 1.026 -2.635 1.00 74.12 H new ATOM 0 HG13 ILE A 8 -5.806 2.546 -2.287 1.00 74.12 H new ATOM 0 HG21 ILE A 8 -8.924 2.213 -4.368 1.00 30.51 H new ATOM 0 HG22 ILE A 8 -8.094 2.223 -5.942 1.00 30.51 H new ATOM 0 HG23 ILE A 8 -7.977 0.797 -4.883 1.00 30.51 H new ATOM 0 HD11 ILE A 8 -7.776 2.247 -0.870 1.00 61.14 H new ATOM 0 HD12 ILE A 8 -7.997 3.638 -1.958 1.00 61.14 H new ATOM 0 HD13 ILE A 8 -8.809 2.094 -2.311 1.00 61.14 H new ATOM 138 N SER A 9 -5.899 1.880 -7.386 1.00 33.11 N ATOM 139 CA SER A 9 -6.057 2.335 -8.774 1.00 34.20 C ATOM 140 C SER A 9 -7.083 1.440 -9.476 1.00 52.22 C ATOM 141 O SER A 9 -7.174 0.240 -9.175 1.00 24.33 O ATOM 142 CB SER A 9 -4.702 2.293 -9.521 1.00 2.23 C ATOM 143 OG SER A 9 -4.805 2.774 -10.850 1.00 72.41 O ATOM 0 H SER A 9 -6.175 0.908 -7.244 1.00 33.11 H new ATOM 0 HA SER A 9 -6.408 3.367 -8.778 1.00 34.20 H new ATOM 0 HB2 SER A 9 -3.971 2.891 -8.976 1.00 2.23 H new ATOM 0 HB3 SER A 9 -4.329 1.269 -9.536 1.00 2.23 H new ATOM 0 HG SER A 9 -3.927 2.731 -11.283 1.00 72.41 H new ATOM 149 N THR A 10 -7.846 2.032 -10.405 1.00 14.10 N ATOM 150 CA THR A 10 -8.855 1.316 -11.208 1.00 1.04 C ATOM 151 C THR A 10 -8.184 0.283 -12.149 1.00 20.51 C ATOM 152 O THR A 10 -8.783 -0.739 -12.504 1.00 22.15 O ATOM 153 CB THR A 10 -9.690 2.334 -12.057 1.00 73.11 C ATOM 154 OG1 THR A 10 -10.191 3.375 -11.205 1.00 60.41 O ATOM 155 CG2 THR A 10 -10.878 1.675 -12.801 1.00 31.30 C ATOM 0 H THR A 10 -7.783 3.026 -10.624 1.00 14.10 H new ATOM 0 HA THR A 10 -9.516 0.785 -10.523 1.00 1.04 H new ATOM 0 HB THR A 10 -9.017 2.738 -12.813 1.00 73.11 H new ATOM 0 HG1 THR A 10 -10.712 4.012 -11.738 1.00 60.41 H new ATOM 0 HG21 THR A 10 -11.416 2.433 -13.370 1.00 31.30 H new ATOM 0 HG22 THR A 10 -10.502 0.909 -13.480 1.00 31.30 H new ATOM 0 HG23 THR A 10 -11.553 1.218 -12.077 1.00 31.30 H new ATOM 163 N ASP A 11 -6.914 0.548 -12.509 1.00 61.25 N ATOM 164 CA ASP A 11 -6.177 -0.251 -13.497 1.00 31.21 C ATOM 165 C ASP A 11 -5.121 -1.109 -12.770 1.00 20.32 C ATOM 166 O ASP A 11 -4.043 -0.616 -12.404 1.00 2.44 O ATOM 167 CB ASP A 11 -5.525 0.685 -14.557 1.00 31.23 C ATOM 168 CG ASP A 11 -5.056 -0.029 -15.848 1.00 12.32 C ATOM 169 OD1 ASP A 11 -4.555 -1.168 -15.779 1.00 41.21 O ATOM 170 OD2 ASP A 11 -5.191 0.556 -16.945 1.00 22.35 O ATOM 0 H ASP A 11 -6.374 1.322 -12.122 1.00 61.25 H new ATOM 0 HA ASP A 11 -6.859 -0.919 -14.022 1.00 31.21 H new ATOM 0 HB2 ASP A 11 -6.242 1.461 -14.827 1.00 31.23 H new ATOM 0 HB3 ASP A 11 -4.669 1.185 -14.103 1.00 31.23 H new ATOM 175 N THR A 12 -5.447 -2.400 -12.592 1.00 1.45 N ATOM 176 CA THR A 12 -4.600 -3.383 -11.892 1.00 1.30 C ATOM 177 C THR A 12 -3.253 -3.619 -12.625 1.00 11.34 C ATOM 178 O THR A 12 -2.266 -4.031 -12.001 1.00 60.15 O ATOM 179 CB THR A 12 -5.386 -4.727 -11.723 1.00 0.03 C ATOM 180 OG1 THR A 12 -6.684 -4.445 -11.168 1.00 12.43 O ATOM 181 CG2 THR A 12 -4.665 -5.734 -10.805 1.00 23.22 C ATOM 0 H THR A 12 -6.321 -2.798 -12.936 1.00 1.45 H new ATOM 0 HA THR A 12 -4.356 -2.981 -10.909 1.00 1.30 H new ATOM 0 HB THR A 12 -5.463 -5.181 -12.711 1.00 0.03 H new ATOM 0 HG1 THR A 12 -7.183 -5.282 -11.061 1.00 12.43 H new ATOM 0 HG21 THR A 12 -5.258 -6.645 -10.727 1.00 23.22 H new ATOM 0 HG22 THR A 12 -3.687 -5.973 -11.224 1.00 23.22 H new ATOM 0 HG23 THR A 12 -4.539 -5.297 -9.814 1.00 23.22 H new ATOM 189 N ASN A 13 -3.223 -3.340 -13.946 1.00 1.34 N ATOM 190 CA ASN A 13 -1.998 -3.460 -14.762 1.00 45.12 C ATOM 191 C ASN A 13 -1.045 -2.295 -14.449 1.00 43.11 C ATOM 192 O ASN A 13 0.175 -2.474 -14.481 1.00 1.24 O ATOM 193 CB ASN A 13 -2.314 -3.492 -16.279 1.00 11.45 C ATOM 194 CG ASN A 13 -3.321 -4.580 -16.650 1.00 73.11 C ATOM 195 OD1 ASN A 13 -2.952 -5.721 -16.920 1.00 23.45 O ATOM 196 ND2 ASN A 13 -4.604 -4.243 -16.651 1.00 13.52 N ATOM 0 H ASN A 13 -4.040 -3.028 -14.472 1.00 1.34 H new ATOM 0 HA ASN A 13 -1.520 -4.405 -14.505 1.00 45.12 H new ATOM 0 HB2 ASN A 13 -2.705 -2.522 -16.585 1.00 11.45 H new ATOM 0 HB3 ASN A 13 -1.390 -3.653 -16.835 1.00 11.45 H new ATOM 0 HD21 ASN A 13 -5.314 -4.939 -16.880 1.00 13.52 H new ATOM 0 HD22 ASN A 13 -4.881 -3.288 -16.423 1.00 13.52 H new ATOM 203 N ILE A 14 -1.618 -1.101 -14.134 1.00 21.55 N ATOM 204 CA ILE A 14 -0.823 0.072 -13.701 1.00 52.32 C ATOM 205 C ILE A 14 -0.238 -0.218 -12.305 1.00 31.25 C ATOM 206 O ILE A 14 0.945 0.029 -12.060 1.00 1.42 O ATOM 207 CB ILE A 14 -1.677 1.409 -13.696 1.00 72.24 C ATOM 208 CG1 ILE A 14 -2.098 1.816 -15.150 1.00 13.31 C ATOM 209 CG2 ILE A 14 -0.932 2.581 -12.998 1.00 4.03 C ATOM 210 CD1 ILE A 14 -0.962 2.241 -16.068 1.00 52.02 C ATOM 0 H ILE A 14 -2.623 -0.930 -14.173 1.00 21.55 H new ATOM 0 HA ILE A 14 -0.016 0.231 -14.417 1.00 52.32 H new ATOM 0 HB ILE A 14 -2.577 1.204 -13.117 1.00 72.24 H new ATOM 0 HG12 ILE A 14 -2.616 0.974 -15.608 1.00 13.31 H new ATOM 0 HG13 ILE A 14 -2.815 2.634 -15.086 1.00 13.31 H new ATOM 0 HG21 ILE A 14 -1.557 3.474 -13.020 1.00 4.03 H new ATOM 0 HG22 ILE A 14 -0.720 2.312 -11.963 1.00 4.03 H new ATOM 0 HG23 ILE A 14 0.004 2.780 -13.521 1.00 4.03 H new ATOM 0 HD11 ILE A 14 -1.364 2.501 -17.047 1.00 52.02 H new ATOM 0 HD12 ILE A 14 -0.455 3.107 -15.642 1.00 52.02 H new ATOM 0 HD13 ILE A 14 -0.253 1.420 -16.173 1.00 52.02 H new ATOM 222 N ILE A 15 -1.084 -0.797 -11.421 1.00 40.01 N ATOM 223 CA ILE A 15 -0.681 -1.257 -10.073 1.00 61.52 C ATOM 224 C ILE A 15 0.495 -2.249 -10.170 1.00 61.02 C ATOM 225 O ILE A 15 1.460 -2.131 -9.424 1.00 53.53 O ATOM 226 CB ILE A 15 -1.905 -1.924 -9.320 1.00 12.52 C ATOM 227 CG1 ILE A 15 -3.023 -0.866 -9.059 1.00 23.50 C ATOM 228 CG2 ILE A 15 -1.480 -2.622 -8.000 1.00 65.43 C ATOM 229 CD1 ILE A 15 -4.255 -1.386 -8.328 1.00 2.33 C ATOM 0 H ILE A 15 -2.070 -0.959 -11.625 1.00 40.01 H new ATOM 0 HA ILE A 15 -0.356 -0.389 -9.499 1.00 61.52 H new ATOM 0 HB ILE A 15 -2.301 -2.703 -9.971 1.00 12.52 H new ATOM 0 HG12 ILE A 15 -2.597 -0.047 -8.480 1.00 23.50 H new ATOM 0 HG13 ILE A 15 -3.337 -0.450 -10.016 1.00 23.50 H new ATOM 0 HG21 ILE A 15 -2.356 -3.063 -7.523 1.00 65.43 H new ATOM 0 HG22 ILE A 15 -0.754 -3.405 -8.220 1.00 65.43 H new ATOM 0 HG23 ILE A 15 -1.032 -1.889 -7.329 1.00 65.43 H new ATOM 0 HD11 ILE A 15 -4.970 -0.574 -8.197 1.00 2.33 H new ATOM 0 HD12 ILE A 15 -4.715 -2.183 -8.912 1.00 2.33 H new ATOM 0 HD13 ILE A 15 -3.963 -1.773 -7.352 1.00 2.33 H new ATOM 241 N SER A 16 0.403 -3.184 -11.134 1.00 13.11 N ATOM 242 CA SER A 16 1.404 -4.246 -11.343 1.00 32.31 C ATOM 243 C SER A 16 2.738 -3.674 -11.874 1.00 41.43 C ATOM 244 O SER A 16 3.817 -4.115 -11.456 1.00 12.21 O ATOM 245 CB SER A 16 0.844 -5.308 -12.321 1.00 52.31 C ATOM 246 OG SER A 16 1.728 -6.408 -12.448 1.00 22.33 O ATOM 0 H SER A 16 -0.374 -3.224 -11.794 1.00 13.11 H new ATOM 0 HA SER A 16 1.609 -4.714 -10.380 1.00 32.31 H new ATOM 0 HB2 SER A 16 -0.126 -5.657 -11.966 1.00 52.31 H new ATOM 0 HB3 SER A 16 0.681 -4.855 -13.299 1.00 52.31 H new ATOM 0 HG SER A 16 1.348 -7.063 -13.070 1.00 22.33 H new ATOM 252 N SER A 17 2.649 -2.691 -12.800 1.00 74.21 N ATOM 253 CA SER A 17 3.827 -2.022 -13.381 1.00 3.34 C ATOM 254 C SER A 17 4.621 -1.273 -12.296 1.00 14.32 C ATOM 255 O SER A 17 5.818 -1.498 -12.129 1.00 12.43 O ATOM 256 CB SER A 17 3.399 -1.058 -14.509 1.00 2.25 C ATOM 257 OG SER A 17 2.780 -1.762 -15.574 1.00 25.42 O ATOM 0 H SER A 17 1.761 -2.344 -13.161 1.00 74.21 H new ATOM 0 HA SER A 17 4.478 -2.785 -13.809 1.00 3.34 H new ATOM 0 HB2 SER A 17 2.710 -0.312 -14.113 1.00 2.25 H new ATOM 0 HB3 SER A 17 4.270 -0.520 -14.882 1.00 2.25 H new ATOM 0 HG SER A 17 1.891 -2.063 -15.294 1.00 25.42 H new ATOM 263 N VAL A 18 3.905 -0.426 -11.540 1.00 72.41 N ATOM 264 CA VAL A 18 4.484 0.417 -10.474 1.00 61.14 C ATOM 265 C VAL A 18 5.046 -0.438 -9.327 1.00 20.42 C ATOM 266 O VAL A 18 6.100 -0.121 -8.759 1.00 3.21 O ATOM 267 CB VAL A 18 3.406 1.406 -9.917 1.00 41.33 C ATOM 268 CG1 VAL A 18 3.959 2.250 -8.747 1.00 10.23 C ATOM 269 CG2 VAL A 18 2.867 2.302 -11.055 1.00 62.14 C ATOM 0 H VAL A 18 2.898 -0.304 -11.650 1.00 72.41 H new ATOM 0 HA VAL A 18 5.305 0.986 -10.911 1.00 61.14 H new ATOM 0 HB VAL A 18 2.578 0.819 -9.520 1.00 41.33 H new ATOM 0 HG11 VAL A 18 3.183 2.925 -8.386 1.00 10.23 H new ATOM 0 HG12 VAL A 18 4.271 1.590 -7.938 1.00 10.23 H new ATOM 0 HG13 VAL A 18 4.814 2.832 -9.090 1.00 10.23 H new ATOM 0 HG21 VAL A 18 2.118 2.986 -10.656 1.00 62.14 H new ATOM 0 HG22 VAL A 18 3.688 2.875 -11.487 1.00 62.14 H new ATOM 0 HG23 VAL A 18 2.415 1.678 -11.826 1.00 62.14 H new ATOM 279 N GLN A 19 4.303 -1.505 -9.001 1.00 12.34 N ATOM 280 CA GLN A 19 4.682 -2.503 -7.993 1.00 64.22 C ATOM 281 C GLN A 19 6.095 -3.017 -8.268 1.00 4.00 C ATOM 282 O GLN A 19 6.973 -2.909 -7.416 1.00 65.02 O ATOM 283 CB GLN A 19 3.668 -3.666 -8.033 1.00 22.22 C ATOM 284 CG GLN A 19 3.875 -4.784 -7.000 1.00 75.14 C ATOM 285 CD GLN A 19 2.927 -5.972 -7.194 1.00 60.03 C ATOM 286 OE1 GLN A 19 3.271 -7.104 -6.876 1.00 12.04 O ATOM 287 NE2 GLN A 19 1.710 -5.727 -7.682 1.00 41.14 N ATOM 0 H GLN A 19 3.404 -1.702 -9.440 1.00 12.34 H new ATOM 0 HA GLN A 19 4.672 -2.048 -7.003 1.00 64.22 H new ATOM 0 HB2 GLN A 19 2.668 -3.254 -7.895 1.00 22.22 H new ATOM 0 HB3 GLN A 19 3.695 -4.110 -9.028 1.00 22.22 H new ATOM 0 HG2 GLN A 19 4.905 -5.137 -7.058 1.00 75.14 H new ATOM 0 HG3 GLN A 19 3.734 -4.375 -5.999 1.00 75.14 H new ATOM 0 HE21 GLN A 19 1.446 -4.776 -7.940 1.00 41.14 H new ATOM 0 HE22 GLN A 19 1.043 -6.490 -7.797 1.00 41.14 H new ATOM 296 N GLU A 20 6.304 -3.499 -9.504 1.00 31.52 N ATOM 297 CA GLU A 20 7.578 -4.072 -9.934 1.00 44.10 C ATOM 298 C GLU A 20 8.672 -3.005 -10.098 1.00 52.23 C ATOM 299 O GLU A 20 9.832 -3.301 -9.834 1.00 43.54 O ATOM 300 CB GLU A 20 7.383 -4.888 -11.231 1.00 50.32 C ATOM 301 CG GLU A 20 6.569 -6.185 -11.034 1.00 50.10 C ATOM 302 CD GLU A 20 7.273 -7.195 -10.101 1.00 15.34 C ATOM 303 OE1 GLU A 20 8.158 -7.937 -10.578 1.00 45.45 O ATOM 304 OE2 GLU A 20 6.965 -7.245 -8.885 1.00 45.52 O ATOM 0 H GLU A 20 5.588 -3.500 -10.231 1.00 31.52 H new ATOM 0 HA GLU A 20 7.923 -4.744 -9.148 1.00 44.10 H new ATOM 0 HB2 GLU A 20 6.881 -4.264 -11.970 1.00 50.32 H new ATOM 0 HB3 GLU A 20 8.361 -5.142 -11.640 1.00 50.32 H new ATOM 0 HG2 GLU A 20 5.591 -5.936 -10.622 1.00 50.10 H new ATOM 0 HG3 GLU A 20 6.397 -6.652 -12.004 1.00 50.10 H new ATOM 311 N ARG A 21 8.302 -1.765 -10.510 1.00 2.24 N ATOM 312 CA ARG A 21 9.266 -0.639 -10.624 1.00 13.31 C ATOM 313 C ARG A 21 9.922 -0.387 -9.256 1.00 53.41 C ATOM 314 O ARG A 21 11.150 -0.348 -9.127 1.00 2.32 O ATOM 315 CB ARG A 21 8.570 0.670 -11.097 1.00 12.31 C ATOM 316 CG ARG A 21 8.092 0.687 -12.567 1.00 62.51 C ATOM 317 CD ARG A 21 7.358 1.998 -12.897 1.00 21.41 C ATOM 318 NE ARG A 21 6.900 2.082 -14.291 1.00 72.12 N ATOM 319 CZ ARG A 21 6.504 3.209 -14.906 1.00 14.12 C ATOM 320 NH1 ARG A 21 6.493 4.380 -14.264 1.00 41.23 N ATOM 321 NH2 ARG A 21 6.111 3.160 -16.164 1.00 70.25 N ATOM 0 H ARG A 21 7.346 -1.520 -10.768 1.00 2.24 H new ATOM 0 HA ARG A 21 10.015 -0.916 -11.366 1.00 13.31 H new ATOM 0 HB2 ARG A 21 7.710 0.854 -10.453 1.00 12.31 H new ATOM 0 HB3 ARG A 21 9.261 1.500 -10.950 1.00 12.31 H new ATOM 0 HG2 ARG A 21 8.948 0.569 -13.232 1.00 62.51 H new ATOM 0 HG3 ARG A 21 7.429 -0.159 -12.747 1.00 62.51 H new ATOM 0 HD2 ARG A 21 6.499 2.100 -12.234 1.00 21.41 H new ATOM 0 HD3 ARG A 21 8.021 2.838 -12.690 1.00 21.41 H new ATOM 0 HE ARG A 21 6.881 1.218 -14.833 1.00 72.12 H new ATOM 0 HH11 ARG A 21 6.789 4.430 -13.289 1.00 41.23 H new ATOM 0 HH12 ARG A 21 6.189 5.224 -14.749 1.00 41.23 H new ATOM 0 HH21 ARG A 21 6.109 2.271 -16.663 1.00 70.25 H new ATOM 0 HH22 ARG A 21 5.809 4.011 -16.637 1.00 70.25 H new ATOM 335 N ALA A 22 9.056 -0.295 -8.239 1.00 52.35 N ATOM 336 CA ALA A 22 9.438 -0.003 -6.859 1.00 2.43 C ATOM 337 C ALA A 22 10.175 -1.204 -6.235 1.00 71.03 C ATOM 338 O ALA A 22 11.082 -1.027 -5.426 1.00 34.25 O ATOM 339 CB ALA A 22 8.185 0.371 -6.058 1.00 53.54 C ATOM 0 H ALA A 22 8.051 -0.425 -8.359 1.00 52.35 H new ATOM 0 HA ALA A 22 10.127 0.841 -6.839 1.00 2.43 H new ATOM 0 HB1 ALA A 22 8.464 0.590 -5.027 1.00 53.54 H new ATOM 0 HB2 ALA A 22 7.718 1.250 -6.502 1.00 53.54 H new ATOM 0 HB3 ALA A 22 7.481 -0.461 -6.074 1.00 53.54 H new ATOM 345 N LYS A 23 9.780 -2.426 -6.643 1.00 3.32 N ATOM 346 CA LYS A 23 10.411 -3.686 -6.185 1.00 4.54 C ATOM 347 C LYS A 23 11.766 -3.938 -6.871 1.00 42.13 C ATOM 348 O LYS A 23 12.552 -4.752 -6.386 1.00 62.21 O ATOM 349 CB LYS A 23 9.442 -4.888 -6.399 1.00 14.23 C ATOM 350 CG LYS A 23 8.275 -4.919 -5.385 1.00 34.30 C ATOM 351 CD LYS A 23 7.190 -5.998 -5.652 1.00 61.12 C ATOM 352 CE LYS A 23 7.629 -7.438 -5.333 1.00 4.44 C ATOM 353 NZ LYS A 23 8.613 -7.969 -6.303 1.00 25.02 N ATOM 0 H LYS A 23 9.014 -2.571 -7.300 1.00 3.32 H new ATOM 0 HA LYS A 23 10.611 -3.585 -5.118 1.00 4.54 H new ATOM 0 HB2 LYS A 23 9.036 -4.843 -7.409 1.00 14.23 H new ATOM 0 HB3 LYS A 23 10.005 -5.818 -6.323 1.00 14.23 H new ATOM 0 HG2 LYS A 23 8.686 -5.080 -4.388 1.00 34.30 H new ATOM 0 HG3 LYS A 23 7.796 -3.940 -5.378 1.00 34.30 H new ATOM 0 HD2 LYS A 23 6.307 -5.761 -5.059 1.00 61.12 H new ATOM 0 HD3 LYS A 23 6.894 -5.946 -6.700 1.00 61.12 H new ATOM 0 HE2 LYS A 23 8.060 -7.468 -4.332 1.00 4.44 H new ATOM 0 HE3 LYS A 23 6.752 -8.086 -5.321 1.00 4.44 H new ATOM 0 HZ1 LYS A 23 8.395 -8.965 -6.509 1.00 25.02 H new ATOM 0 HZ2 LYS A 23 8.567 -7.415 -7.182 1.00 25.02 H new ATOM 0 HZ3 LYS A 23 9.569 -7.900 -5.900 1.00 25.02 H new ATOM 367 N HIS A 24 12.023 -3.267 -8.015 1.00 12.40 N ATOM 368 CA HIS A 24 13.349 -3.299 -8.675 1.00 52.14 C ATOM 369 C HIS A 24 14.297 -2.267 -8.033 1.00 22.43 C ATOM 370 O HIS A 24 15.500 -2.519 -7.920 1.00 40.23 O ATOM 371 CB HIS A 24 13.229 -3.051 -10.211 1.00 33.15 C ATOM 372 CG HIS A 24 12.484 -4.129 -10.962 1.00 24.11 C ATOM 373 ND1 HIS A 24 11.587 -3.865 -11.974 1.00 72.21 N ATOM 374 CD2 HIS A 24 12.502 -5.477 -10.833 1.00 55.41 C ATOM 375 CE1 HIS A 24 11.093 -4.995 -12.432 1.00 51.51 C ATOM 376 NE2 HIS A 24 11.630 -5.990 -11.757 1.00 33.11 N ATOM 0 H HIS A 24 11.331 -2.697 -8.501 1.00 12.40 H new ATOM 0 HA HIS A 24 13.767 -4.295 -8.532 1.00 52.14 H new ATOM 0 HB2 HIS A 24 12.726 -2.098 -10.374 1.00 33.15 H new ATOM 0 HB3 HIS A 24 14.231 -2.959 -10.631 1.00 33.15 H new ATOM 0 HD2 HIS A 24 13.095 -6.044 -10.131 1.00 55.41 H new ATOM 0 HE1 HIS A 24 10.369 -5.091 -13.228 1.00 51.51 H new ATOM 0 HE2 HIS A 24 11.430 -6.980 -11.899 1.00 33.11 H new ATOM 385 N ASN A 25 13.736 -1.109 -7.606 1.00 71.20 N ATOM 386 CA ASN A 25 14.521 -0.015 -6.983 1.00 52.43 C ATOM 387 C ASN A 25 14.769 -0.259 -5.485 1.00 23.21 C ATOM 388 O ASN A 25 15.748 0.241 -4.936 1.00 33.14 O ATOM 389 CB ASN A 25 13.842 1.373 -7.201 1.00 13.30 C ATOM 390 CG ASN A 25 14.102 1.944 -8.600 1.00 14.51 C ATOM 391 OD1 ASN A 25 15.114 2.605 -8.826 1.00 64.30 O ATOM 392 ND2 ASN A 25 13.210 1.699 -9.540 1.00 22.41 N ATOM 0 H ASN A 25 12.739 -0.908 -7.682 1.00 71.20 H new ATOM 0 HA ASN A 25 15.490 -0.007 -7.483 1.00 52.43 H new ATOM 0 HB2 ASN A 25 12.767 1.276 -7.046 1.00 13.30 H new ATOM 0 HB3 ASN A 25 14.210 2.075 -6.452 1.00 13.30 H new ATOM 0 HD21 ASN A 25 13.351 2.061 -10.483 1.00 22.41 H new ATOM 0 HD22 ASN A 25 12.380 1.147 -9.324 1.00 22.41 H new ATOM 399 N TYR A 26 13.882 -1.017 -4.827 1.00 43.03 N ATOM 400 CA TYR A 26 13.976 -1.306 -3.373 1.00 53.15 C ATOM 401 C TYR A 26 14.215 -2.810 -3.137 1.00 74.22 C ATOM 402 O TYR A 26 13.998 -3.608 -4.052 1.00 24.54 O ATOM 403 CB TYR A 26 12.679 -0.812 -2.651 1.00 51.45 C ATOM 404 CG TYR A 26 12.613 0.715 -2.535 1.00 23.41 C ATOM 405 CD1 TYR A 26 12.088 1.503 -3.567 1.00 50.43 C ATOM 406 CD2 TYR A 26 13.104 1.372 -1.400 1.00 40.13 C ATOM 407 CE1 TYR A 26 12.068 2.880 -3.475 1.00 22.40 C ATOM 408 CE2 TYR A 26 13.090 2.748 -1.311 1.00 70.01 C ATOM 409 CZ TYR A 26 12.564 3.495 -2.343 1.00 42.42 C ATOM 410 OH TYR A 26 12.556 4.866 -2.248 1.00 33.35 O ATOM 0 H TYR A 26 13.077 -1.451 -5.279 1.00 43.03 H new ATOM 0 HA TYR A 26 14.826 -0.769 -2.953 1.00 53.15 H new ATOM 0 HB2 TYR A 26 11.806 -1.169 -3.197 1.00 51.45 H new ATOM 0 HB3 TYR A 26 12.633 -1.251 -1.654 1.00 51.45 H new ATOM 0 HD1 TYR A 26 11.692 1.025 -4.450 1.00 50.43 H new ATOM 0 HD2 TYR A 26 13.500 0.791 -0.580 1.00 40.13 H new ATOM 0 HE1 TYR A 26 11.667 3.473 -4.284 1.00 22.40 H new ATOM 0 HE2 TYR A 26 13.490 3.239 -0.436 1.00 70.01 H new ATOM 0 HH TYR A 26 11.660 5.171 -1.995 1.00 33.35 H new ATOM 420 N PRO A 27 14.694 -3.223 -1.901 1.00 32.52 N ATOM 421 CA PRO A 27 14.853 -4.664 -1.529 1.00 11.11 C ATOM 422 C PRO A 27 13.529 -5.470 -1.612 1.00 11.42 C ATOM 423 O PRO A 27 13.557 -6.699 -1.635 1.00 53.25 O ATOM 424 CB PRO A 27 15.398 -4.607 -0.066 1.00 33.44 C ATOM 425 CG PRO A 27 15.060 -3.226 0.423 1.00 11.03 C ATOM 426 CD PRO A 27 15.178 -2.336 -0.794 1.00 30.42 C ATOM 0 HA PRO A 27 15.516 -5.186 -2.219 1.00 11.11 H new ATOM 0 HB2 PRO A 27 14.934 -5.371 0.558 1.00 33.44 H new ATOM 0 HB3 PRO A 27 16.473 -4.783 -0.039 1.00 33.44 H new ATOM 0 HG2 PRO A 27 14.054 -3.191 0.841 1.00 11.03 H new ATOM 0 HG3 PRO A 27 15.743 -2.909 1.211 1.00 11.03 H new ATOM 0 HD2 PRO A 27 14.568 -1.438 -0.699 1.00 30.42 H new ATOM 0 HD3 PRO A 27 16.205 -2.008 -0.958 1.00 30.42 H new ATOM 434 N GLY A 28 12.382 -4.755 -1.635 1.00 23.20 N ATOM 435 CA GLY A 28 11.059 -5.371 -1.806 1.00 24.12 C ATOM 436 C GLY A 28 10.331 -5.599 -0.487 1.00 54.22 C ATOM 437 O GLY A 28 9.155 -5.949 -0.493 1.00 54.03 O ATOM 0 H GLY A 28 12.353 -3.740 -1.536 1.00 23.20 H new ATOM 0 HA2 GLY A 28 10.448 -4.734 -2.446 1.00 24.12 H new ATOM 0 HA3 GLY A 28 11.173 -6.325 -2.321 1.00 24.12 H new ATOM 441 N ARG A 29 11.044 -5.409 0.643 1.00 22.51 N ATOM 442 CA ARG A 29 10.460 -5.536 1.998 1.00 15.42 C ATOM 443 C ARG A 29 9.462 -4.389 2.290 1.00 3.04 C ATOM 444 O ARG A 29 8.540 -4.550 3.093 1.00 4.14 O ATOM 445 CB ARG A 29 11.589 -5.570 3.075 1.00 14.14 C ATOM 446 CG ARG A 29 12.402 -4.270 3.195 1.00 12.11 C ATOM 447 CD ARG A 29 13.546 -4.350 4.214 1.00 21.22 C ATOM 448 NE ARG A 29 14.644 -5.228 3.767 1.00 3.14 N ATOM 449 CZ ARG A 29 15.938 -5.058 4.085 1.00 40.25 C ATOM 450 NH1 ARG A 29 16.326 -4.040 4.858 1.00 4.44 N ATOM 451 NH2 ARG A 29 16.843 -5.899 3.614 1.00 23.31 N ATOM 0 H ARG A 29 12.034 -5.165 0.644 1.00 22.51 H new ATOM 0 HA ARG A 29 9.908 -6.475 2.040 1.00 15.42 H new ATOM 0 HB2 ARG A 29 11.142 -5.794 4.044 1.00 14.14 H new ATOM 0 HB3 ARG A 29 12.270 -6.388 2.842 1.00 14.14 H new ATOM 0 HG2 ARG A 29 12.814 -4.018 2.218 1.00 12.11 H new ATOM 0 HG3 ARG A 29 11.732 -3.458 3.477 1.00 12.11 H new ATOM 0 HD2 ARG A 29 13.937 -3.349 4.395 1.00 21.22 H new ATOM 0 HD3 ARG A 29 13.157 -4.716 5.164 1.00 21.22 H new ATOM 0 HE ARG A 29 14.403 -6.022 3.173 1.00 3.14 H new ATOM 0 HH11 ARG A 29 15.636 -3.379 5.215 1.00 4.44 H new ATOM 0 HH12 ARG A 29 17.312 -3.924 5.091 1.00 4.44 H new ATOM 0 HH21 ARG A 29 16.557 -6.672 3.013 1.00 23.31 H new ATOM 0 HH22 ARG A 29 17.827 -5.775 3.852 1.00 23.31 H new ATOM 465 N TYR A 30 9.676 -3.237 1.622 1.00 72.33 N ATOM 466 CA TYR A 30 8.843 -2.030 1.786 1.00 12.33 C ATOM 467 C TYR A 30 7.570 -2.100 0.936 1.00 74.12 C ATOM 468 O TYR A 30 6.555 -1.492 1.285 1.00 32.44 O ATOM 469 CB TYR A 30 9.655 -0.765 1.418 1.00 5.11 C ATOM 470 CG TYR A 30 10.765 -0.436 2.419 1.00 12.05 C ATOM 471 CD1 TYR A 30 10.510 0.355 3.544 1.00 21.12 C ATOM 472 CD2 TYR A 30 12.054 -0.933 2.254 1.00 12.43 C ATOM 473 CE1 TYR A 30 11.497 0.630 4.467 1.00 30.04 C ATOM 474 CE2 TYR A 30 13.046 -0.661 3.173 1.00 61.35 C ATOM 475 CZ TYR A 30 12.764 0.121 4.281 1.00 44.43 C ATOM 476 OH TYR A 30 13.752 0.393 5.205 1.00 52.03 O ATOM 0 H TYR A 30 10.435 -3.118 0.951 1.00 72.33 H new ATOM 0 HA TYR A 30 8.544 -1.976 2.833 1.00 12.33 H new ATOM 0 HB2 TYR A 30 10.096 -0.901 0.431 1.00 5.11 H new ATOM 0 HB3 TYR A 30 8.976 0.085 1.349 1.00 5.11 H new ATOM 0 HD1 TYR A 30 9.519 0.759 3.693 1.00 21.12 H new ATOM 0 HD2 TYR A 30 12.282 -1.542 1.392 1.00 12.43 H new ATOM 0 HE1 TYR A 30 11.278 1.241 5.331 1.00 30.04 H new ATOM 0 HE2 TYR A 30 14.040 -1.057 3.029 1.00 61.35 H new ATOM 0 HH TYR A 30 14.587 -0.040 4.929 1.00 52.03 H new ATOM 486 N ILE A 31 7.633 -2.828 -0.187 1.00 71.31 N ATOM 487 CA ILE A 31 6.496 -2.970 -1.103 1.00 32.24 C ATOM 488 C ILE A 31 5.851 -4.341 -0.876 1.00 42.33 C ATOM 489 O ILE A 31 6.502 -5.379 -0.993 1.00 33.24 O ATOM 490 CB ILE A 31 6.897 -2.806 -2.621 1.00 2.12 C ATOM 491 CG1 ILE A 31 7.394 -1.355 -2.948 1.00 72.43 C ATOM 492 CG2 ILE A 31 5.709 -3.185 -3.550 1.00 35.35 C ATOM 493 CD1 ILE A 31 8.764 -0.983 -2.410 1.00 42.12 C ATOM 0 H ILE A 31 8.469 -3.332 -0.484 1.00 71.31 H new ATOM 0 HA ILE A 31 5.792 -2.167 -0.884 1.00 32.24 H new ATOM 0 HB ILE A 31 7.726 -3.489 -2.805 1.00 2.12 H new ATOM 0 HG12 ILE A 31 7.405 -1.232 -4.031 1.00 72.43 H new ATOM 0 HG13 ILE A 31 6.666 -0.646 -2.554 1.00 72.43 H new ATOM 0 HG21 ILE A 31 6.008 -3.064 -4.591 1.00 35.35 H new ATOM 0 HG22 ILE A 31 5.424 -4.222 -3.372 1.00 35.35 H new ATOM 0 HG23 ILE A 31 4.860 -2.535 -3.339 1.00 35.35 H new ATOM 0 HD11 ILE A 31 9.002 0.041 -2.697 1.00 42.12 H new ATOM 0 HD12 ILE A 31 8.762 -1.064 -1.323 1.00 42.12 H new ATOM 0 HD13 ILE A 31 9.513 -1.659 -2.823 1.00 42.12 H new ATOM 505 N ARG A 32 4.563 -4.314 -0.562 1.00 12.13 N ATOM 506 CA ARG A 32 3.743 -5.493 -0.308 1.00 52.51 C ATOM 507 C ARG A 32 2.407 -5.292 -1.041 1.00 71.32 C ATOM 508 O ARG A 32 2.078 -4.171 -1.435 1.00 60.44 O ATOM 509 CB ARG A 32 3.544 -5.664 1.233 1.00 20.02 C ATOM 510 CG ARG A 32 3.206 -7.101 1.684 1.00 5.22 C ATOM 511 CD ARG A 32 3.107 -7.243 3.214 1.00 42.32 C ATOM 512 NE ARG A 32 3.178 -8.649 3.654 1.00 34.21 N ATOM 513 CZ ARG A 32 2.196 -9.561 3.571 1.00 71.34 C ATOM 514 NH1 ARG A 32 1.001 -9.257 3.071 1.00 53.21 N ATOM 515 NH2 ARG A 32 2.433 -10.791 3.970 1.00 2.35 N ATOM 0 H ARG A 32 4.042 -3.442 -0.474 1.00 12.13 H new ATOM 0 HA ARG A 32 4.219 -6.402 -0.675 1.00 52.51 H new ATOM 0 HB2 ARG A 32 4.453 -5.343 1.741 1.00 20.02 H new ATOM 0 HB3 ARG A 32 2.745 -4.998 1.559 1.00 20.02 H new ATOM 0 HG2 ARG A 32 2.260 -7.404 1.234 1.00 5.22 H new ATOM 0 HG3 ARG A 32 3.970 -7.783 1.310 1.00 5.22 H new ATOM 0 HD2 ARG A 32 3.913 -6.678 3.682 1.00 42.32 H new ATOM 0 HD3 ARG A 32 2.170 -6.805 3.557 1.00 42.32 H new ATOM 0 HE ARG A 32 4.060 -8.959 4.062 1.00 34.21 H new ATOM 0 HH11 ARG A 32 0.813 -8.311 2.739 1.00 53.21 H new ATOM 0 HH12 ARG A 32 0.273 -9.970 3.020 1.00 53.21 H new ATOM 0 HH21 ARG A 32 3.352 -11.040 4.336 1.00 2.35 H new ATOM 0 HH22 ARG A 32 1.698 -11.496 3.914 1.00 2.35 H new ATOM 529 N THR A 33 1.667 -6.370 -1.278 1.00 2.14 N ATOM 530 CA THR A 33 0.311 -6.299 -1.850 1.00 13.21 C ATOM 531 C THR A 33 -0.701 -6.905 -0.885 1.00 15.53 C ATOM 532 O THR A 33 -0.345 -7.736 -0.040 1.00 32.11 O ATOM 533 CB THR A 33 0.231 -7.019 -3.237 1.00 13.22 C ATOM 534 OG1 THR A 33 0.815 -8.324 -3.146 1.00 24.23 O ATOM 535 CG2 THR A 33 0.941 -6.218 -4.335 1.00 51.13 C ATOM 0 H THR A 33 1.982 -7.320 -1.082 1.00 2.14 H new ATOM 0 HA THR A 33 0.073 -5.247 -2.007 1.00 13.21 H new ATOM 0 HB THR A 33 -0.823 -7.101 -3.504 1.00 13.22 H new ATOM 0 HG1 THR A 33 0.759 -8.769 -4.018 1.00 24.23 H new ATOM 0 HG21 THR A 33 0.863 -6.751 -5.282 1.00 51.13 H new ATOM 0 HG22 THR A 33 0.473 -5.238 -4.431 1.00 51.13 H new ATOM 0 HG23 THR A 33 1.992 -6.095 -4.074 1.00 51.13 H new ATOM 543 N ALA A 34 -1.945 -6.422 -0.981 1.00 34.41 N ATOM 544 CA ALA A 34 -3.095 -7.001 -0.294 1.00 44.12 C ATOM 545 C ALA A 34 -4.019 -7.636 -1.332 1.00 51.23 C ATOM 546 O ALA A 34 -4.469 -6.959 -2.264 1.00 75.43 O ATOM 547 CB ALA A 34 -3.839 -5.940 0.510 1.00 64.24 C ATOM 0 H ALA A 34 -2.180 -5.607 -1.547 1.00 34.41 H new ATOM 0 HA ALA A 34 -2.752 -7.762 0.407 1.00 44.12 H new ATOM 0 HB1 ALA A 34 -4.692 -6.396 1.013 1.00 64.24 H new ATOM 0 HB2 ALA A 34 -3.168 -5.509 1.253 1.00 64.24 H new ATOM 0 HB3 ALA A 34 -4.190 -5.155 -0.160 1.00 64.24 H new ATOM 553 N THR A 35 -4.253 -8.944 -1.185 1.00 52.03 N ATOM 554 CA THR A 35 -5.176 -9.712 -2.036 1.00 64.40 C ATOM 555 C THR A 35 -6.476 -10.040 -1.273 1.00 62.44 C ATOM 556 O THR A 35 -7.554 -10.128 -1.868 1.00 13.32 O ATOM 557 CB THR A 35 -4.478 -11.017 -2.527 1.00 1.51 C ATOM 558 OG1 THR A 35 -3.284 -10.673 -3.250 1.00 45.51 O ATOM 559 CG2 THR A 35 -5.387 -11.880 -3.419 1.00 14.43 C ATOM 0 H THR A 35 -3.803 -9.508 -0.464 1.00 52.03 H new ATOM 0 HA THR A 35 -5.442 -9.108 -2.904 1.00 64.40 H new ATOM 0 HB THR A 35 -4.239 -11.610 -1.644 1.00 1.51 H new ATOM 0 HG1 THR A 35 -3.455 -9.886 -3.809 1.00 45.51 H new ATOM 0 HG21 THR A 35 -4.848 -12.775 -3.730 1.00 14.43 H new ATOM 0 HG22 THR A 35 -6.277 -12.169 -2.860 1.00 14.43 H new ATOM 0 HG23 THR A 35 -5.681 -11.309 -4.299 1.00 14.43 H new ATOM 567 N SER A 36 -6.365 -10.192 0.044 1.00 44.42 N ATOM 568 CA SER A 36 -7.494 -10.537 0.920 1.00 74.40 C ATOM 569 C SER A 36 -7.450 -9.665 2.173 1.00 2.13 C ATOM 570 O SER A 36 -6.417 -9.067 2.479 1.00 21.42 O ATOM 571 CB SER A 36 -7.429 -12.042 1.293 1.00 3.44 C ATOM 572 OG SER A 36 -8.463 -12.409 2.194 1.00 54.11 O ATOM 0 H SER A 36 -5.483 -10.079 0.543 1.00 44.42 H new ATOM 0 HA SER A 36 -8.434 -10.353 0.399 1.00 74.40 H new ATOM 0 HB2 SER A 36 -7.506 -12.644 0.388 1.00 3.44 H new ATOM 0 HB3 SER A 36 -6.461 -12.263 1.742 1.00 3.44 H new ATOM 0 HG SER A 36 -8.390 -13.363 2.404 1.00 54.11 H new ATOM 578 N SER A 37 -8.586 -9.601 2.885 1.00 42.21 N ATOM 579 CA SER A 37 -8.680 -8.969 4.211 1.00 15.32 C ATOM 580 C SER A 37 -7.883 -9.784 5.246 1.00 4.51 C ATOM 581 O SER A 37 -7.444 -9.244 6.258 1.00 70.50 O ATOM 582 CB SER A 37 -10.160 -8.820 4.624 1.00 43.05 C ATOM 583 OG SER A 37 -10.845 -10.063 4.560 1.00 23.02 O ATOM 0 H SER A 37 -9.470 -9.988 2.555 1.00 42.21 H new ATOM 0 HA SER A 37 -8.243 -7.971 4.166 1.00 15.32 H new ATOM 0 HB2 SER A 37 -10.218 -8.423 5.637 1.00 43.05 H new ATOM 0 HB3 SER A 37 -10.651 -8.099 3.970 1.00 43.05 H new ATOM 0 HG SER A 37 -11.779 -9.936 4.829 1.00 23.02 H new ATOM 589 N GLN A 38 -7.710 -11.095 4.965 1.00 62.34 N ATOM 590 CA GLN A 38 -6.838 -11.984 5.745 1.00 52.30 C ATOM 591 C GLN A 38 -5.371 -11.557 5.581 1.00 73.31 C ATOM 592 O GLN A 38 -4.636 -11.422 6.569 1.00 25.55 O ATOM 593 CB GLN A 38 -7.012 -13.459 5.288 1.00 4.25 C ATOM 594 CG GLN A 38 -8.442 -14.012 5.406 1.00 71.34 C ATOM 595 CD GLN A 38 -8.985 -13.950 6.830 1.00 4.13 C ATOM 596 OE1 GLN A 38 -8.807 -14.876 7.615 1.00 54.21 O ATOM 597 NE2 GLN A 38 -9.654 -12.863 7.173 1.00 23.03 N ATOM 0 H GLN A 38 -8.176 -11.562 4.187 1.00 62.34 H new ATOM 0 HA GLN A 38 -7.119 -11.909 6.795 1.00 52.30 H new ATOM 0 HB2 GLN A 38 -6.691 -13.542 4.250 1.00 4.25 H new ATOM 0 HB3 GLN A 38 -6.346 -14.088 5.879 1.00 4.25 H new ATOM 0 HG2 GLN A 38 -9.101 -13.447 4.746 1.00 71.34 H new ATOM 0 HG3 GLN A 38 -8.456 -15.046 5.061 1.00 71.34 H new ATOM 0 HE21 GLN A 38 -9.785 -12.110 6.497 1.00 23.03 H new ATOM 0 HE22 GLN A 38 -10.039 -12.777 8.113 1.00 23.03 H new ATOM 606 N ASP A 39 -4.966 -11.363 4.304 1.00 11.45 N ATOM 607 CA ASP A 39 -3.618 -10.902 3.930 1.00 71.24 C ATOM 608 C ASP A 39 -3.311 -9.541 4.582 1.00 72.31 C ATOM 609 O ASP A 39 -2.222 -9.332 5.104 1.00 74.41 O ATOM 610 CB ASP A 39 -3.536 -10.800 2.381 1.00 2.35 C ATOM 611 CG ASP A 39 -2.121 -10.582 1.828 1.00 51.10 C ATOM 612 OD1 ASP A 39 -1.146 -11.110 2.406 1.00 63.32 O ATOM 613 OD2 ASP A 39 -1.988 -9.943 0.772 1.00 71.40 O ATOM 0 H ASP A 39 -5.574 -11.525 3.501 1.00 11.45 H new ATOM 0 HA ASP A 39 -2.875 -11.615 4.288 1.00 71.24 H new ATOM 0 HB2 ASP A 39 -3.944 -11.713 1.948 1.00 2.35 H new ATOM 0 HB3 ASP A 39 -4.172 -9.979 2.050 1.00 2.35 H new ATOM 618 N ILE A 40 -4.312 -8.643 4.528 1.00 32.54 N ATOM 619 CA ILE A 40 -4.283 -7.316 5.172 1.00 25.43 C ATOM 620 C ILE A 40 -3.969 -7.418 6.669 1.00 34.32 C ATOM 621 O ILE A 40 -3.066 -6.735 7.155 1.00 62.23 O ATOM 622 CB ILE A 40 -5.645 -6.550 4.931 1.00 12.52 C ATOM 623 CG1 ILE A 40 -5.731 -6.091 3.446 1.00 54.14 C ATOM 624 CG2 ILE A 40 -5.843 -5.364 5.901 1.00 12.20 C ATOM 625 CD1 ILE A 40 -6.989 -5.352 3.055 1.00 22.52 C ATOM 0 H ILE A 40 -5.181 -8.823 4.025 1.00 32.54 H new ATOM 0 HA ILE A 40 -3.478 -6.743 4.711 1.00 25.43 H new ATOM 0 HB ILE A 40 -6.459 -7.244 5.140 1.00 12.52 H new ATOM 0 HG12 ILE A 40 -4.875 -5.450 3.234 1.00 54.14 H new ATOM 0 HG13 ILE A 40 -5.636 -6.970 2.808 1.00 54.14 H new ATOM 0 HG21 ILE A 40 -6.794 -4.876 5.689 1.00 12.20 H new ATOM 0 HG22 ILE A 40 -5.844 -5.730 6.928 1.00 12.20 H new ATOM 0 HG23 ILE A 40 -5.031 -4.649 5.771 1.00 12.20 H new ATOM 0 HD11 ILE A 40 -6.939 -5.081 2.000 1.00 22.52 H new ATOM 0 HD12 ILE A 40 -7.855 -5.992 3.225 1.00 22.52 H new ATOM 0 HD13 ILE A 40 -7.082 -4.448 3.657 1.00 22.52 H new ATOM 637 N ARG A 41 -4.720 -8.275 7.388 1.00 40.21 N ATOM 638 CA ARG A 41 -4.519 -8.493 8.832 1.00 30.14 C ATOM 639 C ARG A 41 -3.079 -8.943 9.113 1.00 13.10 C ATOM 640 O ARG A 41 -2.457 -8.455 10.047 1.00 60.25 O ATOM 641 CB ARG A 41 -5.538 -9.523 9.381 1.00 13.40 C ATOM 642 CG ARG A 41 -6.981 -8.996 9.410 1.00 54.40 C ATOM 643 CD ARG A 41 -7.993 -10.044 9.871 1.00 23.25 C ATOM 644 NE ARG A 41 -9.330 -9.455 10.035 1.00 12.15 N ATOM 645 CZ ARG A 41 -10.441 -10.114 10.362 1.00 64.31 C ATOM 646 NH1 ARG A 41 -10.426 -11.430 10.565 1.00 31.30 N ATOM 647 NH2 ARG A 41 -11.573 -9.446 10.507 1.00 12.31 N ATOM 0 H ARG A 41 -5.476 -8.830 6.988 1.00 40.21 H new ATOM 0 HA ARG A 41 -4.687 -7.548 9.348 1.00 30.14 H new ATOM 0 HB2 ARG A 41 -5.500 -10.423 8.768 1.00 13.40 H new ATOM 0 HB3 ARG A 41 -5.244 -9.812 10.390 1.00 13.40 H new ATOM 0 HG2 ARG A 41 -7.033 -8.133 10.074 1.00 54.40 H new ATOM 0 HG3 ARG A 41 -7.255 -8.649 8.414 1.00 54.40 H new ATOM 0 HD2 ARG A 41 -8.037 -10.856 9.145 1.00 23.25 H new ATOM 0 HD3 ARG A 41 -7.666 -10.479 10.815 1.00 23.25 H new ATOM 0 HE ARG A 41 -9.415 -8.450 9.885 1.00 12.15 H new ATOM 0 HH11 ARG A 41 -9.554 -11.951 10.471 1.00 31.30 H new ATOM 0 HH12 ARG A 41 -11.287 -11.917 10.815 1.00 31.30 H new ATOM 0 HH21 ARG A 41 -11.590 -8.436 10.369 1.00 12.31 H new ATOM 0 HH22 ARG A 41 -12.429 -9.941 10.757 1.00 12.31 H new ATOM 661 N ASP A 42 -2.555 -9.839 8.249 1.00 31.14 N ATOM 662 CA ASP A 42 -1.167 -10.337 8.327 1.00 41.13 C ATOM 663 C ASP A 42 -0.153 -9.162 8.228 1.00 43.04 C ATOM 664 O ASP A 42 0.909 -9.194 8.862 1.00 0.34 O ATOM 665 CB ASP A 42 -0.932 -11.402 7.206 1.00 13.50 C ATOM 666 CG ASP A 42 0.459 -12.070 7.258 1.00 11.42 C ATOM 667 OD1 ASP A 42 0.670 -12.959 8.113 1.00 75.20 O ATOM 668 OD2 ASP A 42 1.338 -11.733 6.438 1.00 54.34 O ATOM 0 H ASP A 42 -3.086 -10.238 7.475 1.00 31.14 H new ATOM 0 HA ASP A 42 -1.007 -10.815 9.294 1.00 41.13 H new ATOM 0 HB2 ASP A 42 -1.698 -12.174 7.286 1.00 13.50 H new ATOM 0 HB3 ASP A 42 -1.059 -10.926 6.234 1.00 13.50 H new ATOM 673 N ILE A 43 -0.503 -8.125 7.430 1.00 54.00 N ATOM 674 CA ILE A 43 0.315 -6.897 7.289 1.00 12.40 C ATOM 675 C ILE A 43 0.256 -6.063 8.592 1.00 62.12 C ATOM 676 O ILE A 43 1.289 -5.768 9.201 1.00 54.42 O ATOM 677 CB ILE A 43 -0.173 -6.011 6.070 1.00 23.31 C ATOM 678 CG1 ILE A 43 -0.295 -6.868 4.774 1.00 1.14 C ATOM 679 CG2 ILE A 43 0.765 -4.803 5.843 1.00 0.25 C ATOM 680 CD1 ILE A 43 -0.855 -6.149 3.555 1.00 73.20 C ATOM 0 H ILE A 43 -1.355 -8.116 6.869 1.00 54.00 H new ATOM 0 HA ILE A 43 1.343 -7.205 7.098 1.00 12.40 H new ATOM 0 HB ILE A 43 -1.161 -5.623 6.317 1.00 23.31 H new ATOM 0 HG12 ILE A 43 0.693 -7.255 4.522 1.00 1.14 H new ATOM 0 HG13 ILE A 43 -0.929 -7.728 4.988 1.00 1.14 H new ATOM 0 HG21 ILE A 43 0.403 -4.215 5.000 1.00 0.25 H new ATOM 0 HG22 ILE A 43 0.781 -4.182 6.738 1.00 0.25 H new ATOM 0 HG23 ILE A 43 1.773 -5.160 5.631 1.00 0.25 H new ATOM 0 HD11 ILE A 43 -0.896 -6.839 2.712 1.00 73.20 H new ATOM 0 HD12 ILE A 43 -1.859 -5.786 3.776 1.00 73.20 H new ATOM 0 HD13 ILE A 43 -0.212 -5.306 3.303 1.00 73.20 H new ATOM 692 N ILE A 44 -0.986 -5.737 9.015 1.00 50.21 N ATOM 693 CA ILE A 44 -1.277 -4.805 10.129 1.00 33.42 C ATOM 694 C ILE A 44 -0.682 -5.312 11.462 1.00 32.00 C ATOM 695 O ILE A 44 -0.168 -4.513 12.250 1.00 22.51 O ATOM 696 CB ILE A 44 -2.839 -4.554 10.256 1.00 34.32 C ATOM 697 CG1 ILE A 44 -3.385 -3.882 8.947 1.00 5.50 C ATOM 698 CG2 ILE A 44 -3.203 -3.704 11.508 1.00 74.23 C ATOM 699 CD1 ILE A 44 -4.872 -3.563 8.956 1.00 13.10 C ATOM 0 H ILE A 44 -1.828 -6.120 8.585 1.00 50.21 H new ATOM 0 HA ILE A 44 -0.797 -3.853 9.902 1.00 33.42 H new ATOM 0 HB ILE A 44 -3.318 -5.525 10.386 1.00 34.32 H new ATOM 0 HG12 ILE A 44 -2.832 -2.959 8.774 1.00 5.50 H new ATOM 0 HG13 ILE A 44 -3.176 -4.541 8.105 1.00 5.50 H new ATOM 0 HG21 ILE A 44 -4.283 -3.561 11.549 1.00 74.23 H new ATOM 0 HG22 ILE A 44 -2.871 -4.221 12.408 1.00 74.23 H new ATOM 0 HG23 ILE A 44 -2.710 -2.734 11.445 1.00 74.23 H new ATOM 0 HD11 ILE A 44 -5.151 -3.102 8.009 1.00 13.10 H new ATOM 0 HD12 ILE A 44 -5.441 -4.483 9.093 1.00 13.10 H new ATOM 0 HD13 ILE A 44 -5.092 -2.875 9.773 1.00 13.10 H new ATOM 711 N LYS A 45 -0.719 -6.647 11.668 1.00 20.01 N ATOM 712 CA LYS A 45 -0.146 -7.308 12.861 1.00 64.51 C ATOM 713 C LYS A 45 1.337 -6.946 13.020 1.00 14.43 C ATOM 714 O LYS A 45 1.773 -6.545 14.108 1.00 71.25 O ATOM 715 CB LYS A 45 -0.311 -8.848 12.770 1.00 21.01 C ATOM 716 CG LYS A 45 -1.766 -9.336 12.871 1.00 2.22 C ATOM 717 CD LYS A 45 -1.901 -10.846 12.584 1.00 42.24 C ATOM 718 CE LYS A 45 -3.359 -11.308 12.536 1.00 33.31 C ATOM 719 NZ LYS A 45 -3.481 -12.762 12.256 1.00 34.05 N ATOM 0 H LYS A 45 -1.148 -7.298 11.010 1.00 20.01 H new ATOM 0 HA LYS A 45 -0.689 -6.952 13.736 1.00 64.51 H new ATOM 0 HB2 LYS A 45 0.110 -9.192 11.825 1.00 21.01 H new ATOM 0 HB3 LYS A 45 0.271 -9.312 13.566 1.00 21.01 H new ATOM 0 HG2 LYS A 45 -2.149 -9.123 13.869 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -2.383 -8.778 12.167 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -1.419 -11.076 11.634 1.00 42.24 H new ATOM 0 HD3 LYS A 45 -1.371 -11.407 13.354 1.00 42.24 H new ATOM 0 HE2 LYS A 45 -3.841 -11.082 13.487 1.00 33.31 H new ATOM 0 HE3 LYS A 45 -3.891 -10.746 11.768 1.00 33.31 H new ATOM 0 HZ1 LYS A 45 -4.486 -13.028 12.233 1.00 34.05 H new ATOM 0 HZ2 LYS A 45 -3.045 -12.976 11.336 1.00 34.05 H new ATOM 0 HZ3 LYS A 45 -2.997 -13.301 13.002 1.00 34.05 H new ATOM 733 N SER A 46 2.083 -7.045 11.904 1.00 3.31 N ATOM 734 CA SER A 46 3.513 -6.737 11.869 1.00 31.44 C ATOM 735 C SER A 46 3.730 -5.230 12.055 1.00 32.31 C ATOM 736 O SER A 46 4.644 -4.821 12.779 1.00 44.32 O ATOM 737 CB SER A 46 4.135 -7.218 10.531 1.00 52.44 C ATOM 738 OG SER A 46 5.532 -6.948 10.468 1.00 14.01 O ATOM 0 H SER A 46 1.705 -7.341 11.004 1.00 3.31 H new ATOM 0 HA SER A 46 4.008 -7.263 12.685 1.00 31.44 H new ATOM 0 HB2 SER A 46 3.967 -8.289 10.416 1.00 52.44 H new ATOM 0 HB3 SER A 46 3.632 -6.725 9.699 1.00 52.44 H new ATOM 0 HG SER A 46 5.888 -7.266 9.612 1.00 14.01 H new ATOM 744 N MET A 47 2.841 -4.419 11.447 1.00 24.12 N ATOM 745 CA MET A 47 2.977 -2.952 11.405 1.00 45.44 C ATOM 746 C MET A 47 2.713 -2.299 12.776 1.00 34.41 C ATOM 747 O MET A 47 3.020 -1.117 12.971 1.00 32.44 O ATOM 748 CB MET A 47 2.056 -2.350 10.318 1.00 1.31 C ATOM 749 CG MET A 47 2.444 -2.729 8.881 1.00 43.15 C ATOM 750 SD MET A 47 4.142 -2.274 8.451 1.00 42.12 S ATOM 751 CE MET A 47 4.131 -0.492 8.682 1.00 1.13 C ATOM 0 H MET A 47 2.008 -4.765 10.971 1.00 24.12 H new ATOM 0 HA MET A 47 4.013 -2.732 11.146 1.00 45.44 H new ATOM 0 HB2 MET A 47 1.033 -2.676 10.504 1.00 1.31 H new ATOM 0 HB3 MET A 47 2.066 -1.264 10.410 1.00 1.31 H new ATOM 0 HG2 MET A 47 2.320 -3.804 8.751 1.00 43.15 H new ATOM 0 HG3 MET A 47 1.759 -2.242 8.187 1.00 43.15 H new ATOM 0 HE1 MET A 47 4.939 -0.045 8.103 1.00 1.13 H new ATOM 0 HE2 MET A 47 3.177 -0.087 8.345 1.00 1.13 H new ATOM 0 HE3 MET A 47 4.270 -0.261 9.738 1.00 1.13 H new ATOM 761 N LYS A 48 2.116 -3.067 13.709 1.00 55.40 N ATOM 762 CA LYS A 48 1.953 -2.639 15.109 1.00 63.22 C ATOM 763 C LYS A 48 3.313 -2.621 15.824 1.00 2.52 C ATOM 764 O LYS A 48 3.667 -1.648 16.499 1.00 1.32 O ATOM 765 CB LYS A 48 0.979 -3.575 15.874 1.00 35.42 C ATOM 766 CG LYS A 48 -0.447 -3.606 15.304 1.00 72.33 C ATOM 767 CD LYS A 48 -1.456 -4.354 16.202 1.00 64.42 C ATOM 768 CE LYS A 48 -1.195 -5.858 16.328 1.00 33.14 C ATOM 769 NZ LYS A 48 -2.258 -6.530 17.125 1.00 14.41 N ATOM 0 H LYS A 48 1.737 -3.994 13.514 1.00 55.40 H new ATOM 0 HA LYS A 48 1.533 -1.633 15.100 1.00 63.22 H new ATOM 0 HB2 LYS A 48 1.384 -4.587 15.864 1.00 35.42 H new ATOM 0 HB3 LYS A 48 0.934 -3.260 16.916 1.00 35.42 H new ATOM 0 HG2 LYS A 48 -0.793 -2.583 15.157 1.00 72.33 H new ATOM 0 HG3 LYS A 48 -0.427 -4.079 14.322 1.00 72.33 H new ATOM 0 HD2 LYS A 48 -1.438 -3.910 17.197 1.00 64.42 H new ATOM 0 HD3 LYS A 48 -2.460 -4.204 15.804 1.00 64.42 H new ATOM 0 HE2 LYS A 48 -1.146 -6.305 15.335 1.00 33.14 H new ATOM 0 HE3 LYS A 48 -0.226 -6.022 16.800 1.00 33.14 H new ATOM 0 HZ1 LYS A 48 -2.417 -7.488 16.754 1.00 14.41 H new ATOM 0 HZ2 LYS A 48 -1.961 -6.589 18.120 1.00 14.41 H new ATOM 0 HZ3 LYS A 48 -3.140 -5.983 17.059 1.00 14.41 H new ATOM 816 N LYS A 52 9.549 2.113 10.547 1.00 43.22 N ATOM 817 CA LYS A 52 9.760 2.402 9.103 1.00 53.42 C ATOM 818 C LYS A 52 8.411 2.592 8.337 1.00 52.20 C ATOM 819 O LYS A 52 7.331 2.262 8.856 1.00 34.24 O ATOM 820 CB LYS A 52 10.677 1.325 8.397 1.00 42.52 C ATOM 821 CG LYS A 52 12.189 1.389 8.764 1.00 4.04 C ATOM 822 CD LYS A 52 12.546 0.662 10.086 1.00 42.40 C ATOM 823 CE LYS A 52 12.335 -0.862 9.991 1.00 24.32 C ATOM 824 NZ LYS A 52 12.692 -1.558 11.249 1.00 13.30 N ATOM 0 HA LYS A 52 10.295 3.351 9.060 1.00 53.42 H new ATOM 0 HB2 LYS A 52 10.302 0.333 8.648 1.00 42.52 H new ATOM 0 HB3 LYS A 52 10.578 1.440 7.318 1.00 42.52 H new ATOM 0 HG2 LYS A 52 12.769 0.951 7.952 1.00 4.04 H new ATOM 0 HG3 LYS A 52 12.490 2.434 8.843 1.00 4.04 H new ATOM 0 HD2 LYS A 52 13.585 0.867 10.342 1.00 42.40 H new ATOM 0 HD3 LYS A 52 11.934 1.062 10.895 1.00 42.40 H new ATOM 0 HE2 LYS A 52 11.293 -1.068 9.748 1.00 24.32 H new ATOM 0 HE3 LYS A 52 12.938 -1.260 9.175 1.00 24.32 H new ATOM 0 HZ1 LYS A 52 12.534 -2.580 11.137 1.00 13.30 H new ATOM 0 HZ2 LYS A 52 13.693 -1.385 11.469 1.00 13.30 H new ATOM 0 HZ3 LYS A 52 12.100 -1.199 12.025 1.00 13.30 H new ATOM 838 N PRO A 53 8.438 3.195 7.103 1.00 43.24 N ATOM 839 CA PRO A 53 7.257 3.232 6.224 1.00 73.24 C ATOM 840 C PRO A 53 7.077 1.910 5.451 1.00 51.23 C ATOM 841 O PRO A 53 7.991 1.078 5.373 1.00 11.52 O ATOM 842 CB PRO A 53 7.572 4.414 5.280 1.00 50.44 C ATOM 843 CG PRO A 53 9.066 4.401 5.146 1.00 62.44 C ATOM 844 CD PRO A 53 9.589 3.925 6.487 1.00 53.44 C ATOM 0 HA PRO A 53 6.320 3.356 6.767 1.00 73.24 H new ATOM 0 HB2 PRO A 53 7.086 4.289 4.312 1.00 50.44 H new ATOM 0 HB3 PRO A 53 7.219 5.358 5.695 1.00 50.44 H new ATOM 0 HG2 PRO A 53 9.382 3.735 4.343 1.00 62.44 H new ATOM 0 HG3 PRO A 53 9.447 5.394 4.906 1.00 62.44 H new ATOM 0 HD2 PRO A 53 10.454 3.272 6.366 1.00 53.44 H new ATOM 0 HD3 PRO A 53 9.906 4.762 7.109 1.00 53.44 H new ATOM 852 N LEU A 54 5.885 1.732 4.894 1.00 43.45 N ATOM 853 CA LEU A 54 5.535 0.579 4.057 1.00 24.34 C ATOM 854 C LEU A 54 4.689 1.094 2.881 1.00 13.22 C ATOM 855 O LEU A 54 4.274 2.254 2.884 1.00 54.25 O ATOM 856 CB LEU A 54 4.746 -0.466 4.901 1.00 12.30 C ATOM 857 CG LEU A 54 4.713 -1.927 4.337 1.00 30.30 C ATOM 858 CD1 LEU A 54 6.102 -2.586 4.433 1.00 41.43 C ATOM 859 CD2 LEU A 54 3.643 -2.781 5.034 1.00 74.02 C ATOM 0 H LEU A 54 5.118 2.394 5.010 1.00 43.45 H new ATOM 0 HA LEU A 54 6.430 0.087 3.677 1.00 24.34 H new ATOM 0 HB2 LEU A 54 5.178 -0.495 5.902 1.00 12.30 H new ATOM 0 HB3 LEU A 54 3.719 -0.116 5.007 1.00 12.30 H new ATOM 0 HG LEU A 54 4.441 -1.866 3.283 1.00 30.30 H new ATOM 0 HD11 LEU A 54 6.052 -3.600 4.035 1.00 41.43 H new ATOM 0 HD12 LEU A 54 6.821 -2.005 3.856 1.00 41.43 H new ATOM 0 HD13 LEU A 54 6.417 -2.621 5.476 1.00 41.43 H new ATOM 0 HD21 LEU A 54 3.651 -3.787 4.615 1.00 74.02 H new ATOM 0 HD22 LEU A 54 3.856 -2.831 6.102 1.00 74.02 H new ATOM 0 HD23 LEU A 54 2.662 -2.332 4.880 1.00 74.02 H new ATOM 871 N VAL A 55 4.424 0.234 1.893 1.00 45.31 N ATOM 872 CA VAL A 55 3.601 0.558 0.713 1.00 23.52 C ATOM 873 C VAL A 55 2.835 -0.708 0.328 1.00 63.12 C ATOM 874 O VAL A 55 3.444 -1.680 -0.109 1.00 4.14 O ATOM 875 CB VAL A 55 4.439 1.055 -0.531 1.00 41.03 C ATOM 876 CG1 VAL A 55 3.523 1.284 -1.758 1.00 33.23 C ATOM 877 CG2 VAL A 55 5.242 2.337 -0.218 1.00 33.33 C ATOM 0 H VAL A 55 4.778 -0.722 1.886 1.00 45.31 H new ATOM 0 HA VAL A 55 2.940 1.382 0.982 1.00 23.52 H new ATOM 0 HB VAL A 55 5.155 0.267 -0.766 1.00 41.03 H new ATOM 0 HG11 VAL A 55 4.123 1.626 -2.601 1.00 33.23 H new ATOM 0 HG12 VAL A 55 3.027 0.350 -2.021 1.00 33.23 H new ATOM 0 HG13 VAL A 55 2.774 2.038 -1.517 1.00 33.23 H new ATOM 0 HG21 VAL A 55 5.802 2.641 -1.102 1.00 33.33 H new ATOM 0 HG22 VAL A 55 4.557 3.135 0.069 1.00 33.33 H new ATOM 0 HG23 VAL A 55 5.935 2.142 0.601 1.00 33.33 H new ATOM 887 N VAL A 56 1.516 -0.709 0.532 1.00 74.20 N ATOM 888 CA VAL A 56 0.643 -1.831 0.152 1.00 52.04 C ATOM 889 C VAL A 56 -0.210 -1.453 -1.072 1.00 2.34 C ATOM 890 O VAL A 56 -1.029 -0.541 -1.013 1.00 64.12 O ATOM 891 CB VAL A 56 -0.256 -2.294 1.357 1.00 42.41 C ATOM 892 CG1 VAL A 56 -1.324 -3.328 0.918 1.00 43.45 C ATOM 893 CG2 VAL A 56 0.625 -2.872 2.498 1.00 33.34 C ATOM 0 H VAL A 56 1.018 0.068 0.966 1.00 74.20 H new ATOM 0 HA VAL A 56 1.274 -2.677 -0.119 1.00 52.04 H new ATOM 0 HB VAL A 56 -0.786 -1.416 1.728 1.00 42.41 H new ATOM 0 HG11 VAL A 56 -1.923 -3.621 1.780 1.00 43.45 H new ATOM 0 HG12 VAL A 56 -1.971 -2.884 0.161 1.00 43.45 H new ATOM 0 HG13 VAL A 56 -0.831 -4.207 0.503 1.00 43.45 H new ATOM 0 HG21 VAL A 56 -0.011 -3.188 3.325 1.00 33.34 H new ATOM 0 HG22 VAL A 56 1.187 -3.728 2.125 1.00 33.34 H new ATOM 0 HG23 VAL A 56 1.318 -2.106 2.846 1.00 33.34 H new ATOM 903 N PHE A 57 0.001 -2.192 -2.173 1.00 12.34 N ATOM 904 CA PHE A 57 -0.777 -2.066 -3.413 1.00 35.14 C ATOM 905 C PHE A 57 -2.006 -2.979 -3.306 1.00 31.41 C ATOM 906 O PHE A 57 -1.877 -4.151 -2.940 1.00 51.15 O ATOM 907 CB PHE A 57 0.070 -2.486 -4.643 1.00 41.25 C ATOM 908 CG PHE A 57 1.208 -1.533 -5.006 1.00 60.44 C ATOM 909 CD1 PHE A 57 2.439 -1.592 -4.355 1.00 22.40 C ATOM 910 CD2 PHE A 57 1.047 -0.581 -6.016 1.00 13.54 C ATOM 911 CE1 PHE A 57 3.464 -0.730 -4.698 1.00 33.21 C ATOM 912 CE2 PHE A 57 2.075 0.274 -6.354 1.00 70.42 C ATOM 913 CZ PHE A 57 3.282 0.199 -5.695 1.00 72.33 C ATOM 0 H PHE A 57 0.729 -2.905 -2.226 1.00 12.34 H new ATOM 0 HA PHE A 57 -1.077 -1.026 -3.545 1.00 35.14 H new ATOM 0 HB2 PHE A 57 0.491 -3.473 -4.454 1.00 41.25 H new ATOM 0 HB3 PHE A 57 -0.591 -2.581 -5.504 1.00 41.25 H new ATOM 0 HD1 PHE A 57 2.594 -2.320 -3.573 1.00 22.40 H new ATOM 0 HD2 PHE A 57 0.105 -0.514 -6.539 1.00 13.54 H new ATOM 0 HE1 PHE A 57 4.411 -0.787 -4.181 1.00 33.21 H new ATOM 0 HE2 PHE A 57 1.933 1.004 -7.137 1.00 70.42 H new ATOM 0 HZ PHE A 57 4.085 0.870 -5.961 1.00 72.33 H new ATOM 923 N VAL A 58 -3.189 -2.443 -3.621 1.00 5.22 N ATOM 924 CA VAL A 58 -4.440 -3.215 -3.612 1.00 54.00 C ATOM 925 C VAL A 58 -4.535 -4.033 -4.922 1.00 12.43 C ATOM 926 O VAL A 58 -5.086 -3.577 -5.932 1.00 5.42 O ATOM 927 CB VAL A 58 -5.690 -2.269 -3.411 1.00 21.31 C ATOM 928 CG1 VAL A 58 -7.018 -3.070 -3.354 1.00 2.43 C ATOM 929 CG2 VAL A 58 -5.513 -1.394 -2.140 1.00 2.15 C ATOM 0 H VAL A 58 -3.309 -1.466 -3.889 1.00 5.22 H new ATOM 0 HA VAL A 58 -4.438 -3.906 -2.769 1.00 54.00 H new ATOM 0 HB VAL A 58 -5.749 -1.612 -4.279 1.00 21.31 H new ATOM 0 HG11 VAL A 58 -7.852 -2.382 -3.215 1.00 2.43 H new ATOM 0 HG12 VAL A 58 -7.152 -3.619 -4.286 1.00 2.43 H new ATOM 0 HG13 VAL A 58 -6.984 -3.772 -2.521 1.00 2.43 H new ATOM 0 HG21 VAL A 58 -6.383 -0.749 -2.018 1.00 2.15 H new ATOM 0 HG22 VAL A 58 -5.413 -2.038 -1.266 1.00 2.15 H new ATOM 0 HG23 VAL A 58 -4.618 -0.780 -2.243 1.00 2.15 H new ATOM 939 N ASN A 59 -3.910 -5.219 -4.905 1.00 13.04 N ATOM 940 CA ASN A 59 -3.858 -6.146 -6.048 1.00 5.14 C ATOM 941 C ASN A 59 -4.519 -7.473 -5.652 1.00 40.51 C ATOM 942 O ASN A 59 -3.963 -8.233 -4.853 1.00 22.05 O ATOM 943 CB ASN A 59 -2.373 -6.359 -6.468 1.00 4.12 C ATOM 944 CG ASN A 59 -2.154 -7.431 -7.551 1.00 51.41 C ATOM 945 OD1 ASN A 59 -1.144 -8.133 -7.535 1.00 33.21 O ATOM 946 ND2 ASN A 59 -3.061 -7.546 -8.515 1.00 3.10 N ATOM 0 H ASN A 59 -3.417 -5.568 -4.083 1.00 13.04 H new ATOM 0 HA ASN A 59 -4.400 -5.732 -6.898 1.00 5.14 H new ATOM 0 HB2 ASN A 59 -1.973 -5.411 -6.829 1.00 4.12 H new ATOM 0 HB3 ASN A 59 -1.796 -6.633 -5.584 1.00 4.12 H new ATOM 0 HD21 ASN A 59 -2.927 -8.227 -9.262 1.00 3.10 H new ATOM 0 HD22 ASN A 59 -3.891 -6.953 -8.508 1.00 3.10 H new ATOM 953 N GLY A 60 -5.722 -7.721 -6.201 1.00 73.11 N ATOM 954 CA GLY A 60 -6.515 -8.915 -5.873 1.00 14.31 C ATOM 955 C GLY A 60 -7.610 -8.615 -4.850 1.00 11.01 C ATOM 956 O GLY A 60 -8.602 -9.348 -4.764 1.00 74.14 O ATOM 0 H GLY A 60 -6.167 -7.103 -6.879 1.00 73.11 H new ATOM 0 HA2 GLY A 60 -6.968 -9.310 -6.782 1.00 14.31 H new ATOM 0 HA3 GLY A 60 -5.857 -9.691 -5.482 1.00 14.31 H new ATOM 960 N ALA A 61 -7.413 -7.546 -4.052 1.00 1.33 N ATOM 961 CA ALA A 61 -8.401 -7.079 -3.061 1.00 23.31 C ATOM 962 C ALA A 61 -9.357 -6.043 -3.682 1.00 3.45 C ATOM 963 O ALA A 61 -9.059 -5.444 -4.723 1.00 62.22 O ATOM 964 CB ALA A 61 -7.681 -6.490 -1.833 1.00 34.10 C ATOM 0 H ALA A 61 -6.563 -6.982 -4.077 1.00 1.33 H new ATOM 0 HA ALA A 61 -8.998 -7.933 -2.740 1.00 23.31 H new ATOM 0 HB1 ALA A 61 -8.419 -6.148 -1.108 1.00 34.10 H new ATOM 0 HB2 ALA A 61 -7.052 -7.255 -1.378 1.00 34.10 H new ATOM 0 HB3 ALA A 61 -7.061 -5.649 -2.143 1.00 34.10 H new ATOM 970 N SER A 62 -10.501 -5.850 -3.018 1.00 0.41 N ATOM 971 CA SER A 62 -11.535 -4.871 -3.397 1.00 23.53 C ATOM 972 C SER A 62 -11.616 -3.763 -2.318 1.00 5.32 C ATOM 973 O SER A 62 -10.909 -3.821 -1.298 1.00 15.44 O ATOM 974 CB SER A 62 -12.900 -5.605 -3.548 1.00 50.44 C ATOM 975 OG SER A 62 -13.934 -4.722 -3.954 1.00 5.35 O ATOM 0 H SER A 62 -10.743 -6.381 -2.181 1.00 0.41 H new ATOM 0 HA SER A 62 -11.283 -4.404 -4.349 1.00 23.53 H new ATOM 0 HB2 SER A 62 -12.801 -6.408 -4.278 1.00 50.44 H new ATOM 0 HB3 SER A 62 -13.170 -6.068 -2.599 1.00 50.44 H new ATOM 0 HG SER A 62 -14.774 -5.219 -4.040 1.00 5.35 H new ATOM 981 N GLN A 63 -12.496 -2.761 -2.549 1.00 14.21 N ATOM 982 CA GLN A 63 -12.747 -1.661 -1.592 1.00 2.25 C ATOM 983 C GLN A 63 -13.321 -2.213 -0.265 1.00 5.33 C ATOM 984 O GLN A 63 -13.069 -1.642 0.789 1.00 10.20 O ATOM 985 CB GLN A 63 -13.677 -0.569 -2.212 1.00 60.42 C ATOM 986 CG GLN A 63 -14.090 0.585 -1.248 1.00 65.11 C ATOM 987 CD GLN A 63 -12.910 1.384 -0.667 1.00 20.12 C ATOM 988 OE1 GLN A 63 -11.882 1.580 -1.318 1.00 72.03 O ATOM 989 NE2 GLN A 63 -13.044 1.834 0.578 1.00 1.33 N ATOM 0 H GLN A 63 -13.050 -2.693 -3.403 1.00 14.21 H new ATOM 0 HA GLN A 63 -11.794 -1.181 -1.369 1.00 2.25 H new ATOM 0 HB2 GLN A 63 -13.173 -0.135 -3.076 1.00 60.42 H new ATOM 0 HB3 GLN A 63 -14.582 -1.053 -2.580 1.00 60.42 H new ATOM 0 HG2 GLN A 63 -14.748 1.270 -1.783 1.00 65.11 H new ATOM 0 HG3 GLN A 63 -14.668 0.165 -0.425 1.00 65.11 H new ATOM 0 HE21 GLN A 63 -13.906 1.657 1.094 1.00 1.33 H new ATOM 0 HE22 GLN A 63 -12.285 2.355 1.016 1.00 1.33 H new ATOM 998 N ASN A 64 -14.052 -3.351 -0.335 1.00 73.15 N ATOM 999 CA ASN A 64 -14.532 -4.097 0.860 1.00 32.14 C ATOM 1000 C ASN A 64 -13.361 -4.394 1.824 1.00 31.42 C ATOM 1001 O ASN A 64 -13.472 -4.199 3.037 1.00 72.45 O ATOM 1002 CB ASN A 64 -15.222 -5.428 0.434 1.00 25.41 C ATOM 1003 CG ASN A 64 -16.548 -5.215 -0.305 1.00 75.03 C ATOM 1004 OD1 ASN A 64 -17.288 -4.273 -0.022 1.00 31.22 O ATOM 1005 ND2 ASN A 64 -16.852 -6.069 -1.266 1.00 62.20 N ATOM 0 H ASN A 64 -14.327 -3.780 -1.219 1.00 73.15 H new ATOM 0 HA ASN A 64 -15.261 -3.474 1.378 1.00 32.14 H new ATOM 0 HB2 ASN A 64 -14.544 -5.992 -0.207 1.00 25.41 H new ATOM 0 HB3 ASN A 64 -15.402 -6.036 1.321 1.00 25.41 H new ATOM 0 HD21 ASN A 64 -17.718 -5.956 -1.794 1.00 62.20 H new ATOM 0 HD22 ASN A 64 -16.221 -6.841 -1.480 1.00 62.20 H new ATOM 1012 N ASP A 65 -12.221 -4.798 1.238 1.00 30.25 N ATOM 1013 CA ASP A 65 -10.987 -5.128 1.983 1.00 33.33 C ATOM 1014 C ASP A 65 -10.272 -3.843 2.423 1.00 32.33 C ATOM 1015 O ASP A 65 -9.690 -3.790 3.503 1.00 30.23 O ATOM 1016 CB ASP A 65 -10.029 -5.988 1.123 1.00 64.41 C ATOM 1017 CG ASP A 65 -10.705 -7.248 0.585 1.00 43.45 C ATOM 1018 OD1 ASP A 65 -11.380 -7.173 -0.462 1.00 1.24 O ATOM 1019 OD2 ASP A 65 -10.596 -8.315 1.214 1.00 52.41 O ATOM 0 H ASP A 65 -12.126 -4.906 0.228 1.00 30.25 H new ATOM 0 HA ASP A 65 -11.272 -5.703 2.864 1.00 33.33 H new ATOM 0 HB2 ASP A 65 -9.660 -5.392 0.288 1.00 64.41 H new ATOM 0 HB3 ASP A 65 -9.162 -6.270 1.721 1.00 64.41 H new ATOM 1024 N VAL A 66 -10.337 -2.811 1.562 1.00 63.33 N ATOM 1025 CA VAL A 66 -9.709 -1.497 1.812 1.00 54.32 C ATOM 1026 C VAL A 66 -10.315 -0.821 3.064 1.00 62.03 C ATOM 1027 O VAL A 66 -9.582 -0.224 3.865 1.00 4.31 O ATOM 1028 CB VAL A 66 -9.849 -0.561 0.555 1.00 71.10 C ATOM 1029 CG1 VAL A 66 -9.472 0.902 0.870 1.00 54.51 C ATOM 1030 CG2 VAL A 66 -9.008 -1.105 -0.628 1.00 52.51 C ATOM 0 H VAL A 66 -10.828 -2.863 0.669 1.00 63.33 H new ATOM 0 HA VAL A 66 -8.648 -1.664 1.998 1.00 54.32 H new ATOM 0 HB VAL A 66 -10.900 -0.564 0.267 1.00 71.10 H new ATOM 0 HG11 VAL A 66 -9.585 1.508 -0.029 1.00 54.51 H new ATOM 0 HG12 VAL A 66 -10.127 1.286 1.652 1.00 54.51 H new ATOM 0 HG13 VAL A 66 -8.437 0.946 1.210 1.00 54.51 H new ATOM 0 HG21 VAL A 66 -9.118 -0.444 -1.487 1.00 52.51 H new ATOM 0 HG22 VAL A 66 -7.958 -1.151 -0.338 1.00 52.51 H new ATOM 0 HG23 VAL A 66 -9.355 -2.104 -0.892 1.00 52.51 H new ATOM 1040 N ASN A 67 -11.657 -0.932 3.220 1.00 44.54 N ATOM 1041 CA ASN A 67 -12.370 -0.432 4.411 1.00 64.02 C ATOM 1042 C ASN A 67 -11.825 -1.143 5.657 1.00 2.54 C ATOM 1043 O ASN A 67 -11.486 -0.494 6.637 1.00 21.03 O ATOM 1044 CB ASN A 67 -13.918 -0.633 4.330 1.00 1.10 C ATOM 1045 CG ASN A 67 -14.603 0.169 3.213 1.00 72.23 C ATOM 1046 OD1 ASN A 67 -15.031 -0.499 2.161 1.00 52.33 O flip ATOM 1047 ND2 ASN A 67 -14.787 1.379 3.321 1.00 63.34 N flip ATOM 0 H ASN A 67 -12.267 -1.367 2.528 1.00 44.54 H new ATOM 0 HA ASN A 67 -12.195 0.642 4.465 1.00 64.02 H new ATOM 0 HB2 ASN A 67 -14.128 -1.692 4.181 1.00 1.10 H new ATOM 0 HB3 ASN A 67 -14.359 -0.352 5.286 1.00 1.10 H new ATOM 0 HD21 ASN A 67 -14.447 1.875 4.145 1.00 63.34 H new ATOM 0 HD22 ASN A 67 -15.280 1.887 2.587 1.00 63.34 H new ATOM 1054 N GLU A 68 -11.690 -2.485 5.553 1.00 50.13 N ATOM 1055 CA GLU A 68 -11.200 -3.354 6.641 1.00 24.33 C ATOM 1056 C GLU A 68 -9.768 -3.001 7.058 1.00 23.33 C ATOM 1057 O GLU A 68 -9.444 -3.046 8.245 1.00 43.20 O ATOM 1058 CB GLU A 68 -11.287 -4.841 6.211 1.00 35.24 C ATOM 1059 CG GLU A 68 -12.727 -5.337 5.978 1.00 50.24 C ATOM 1060 CD GLU A 68 -13.573 -5.365 7.267 1.00 31.51 C ATOM 1061 OE1 GLU A 68 -13.575 -6.403 7.958 1.00 31.33 O ATOM 1062 OE2 GLU A 68 -14.217 -4.346 7.613 1.00 51.34 O ATOM 0 H GLU A 68 -11.921 -2.997 4.702 1.00 50.13 H new ATOM 0 HA GLU A 68 -11.839 -3.190 7.509 1.00 24.33 H new ATOM 0 HB2 GLU A 68 -10.712 -4.979 5.295 1.00 35.24 H new ATOM 0 HB3 GLU A 68 -10.819 -5.459 6.977 1.00 35.24 H new ATOM 0 HG2 GLU A 68 -13.213 -4.692 5.246 1.00 50.24 H new ATOM 0 HG3 GLU A 68 -12.695 -6.339 5.550 1.00 50.24 H new ATOM 1069 N PHE A 69 -8.924 -2.647 6.062 1.00 62.40 N ATOM 1070 CA PHE A 69 -7.550 -2.190 6.301 1.00 31.43 C ATOM 1071 C PHE A 69 -7.574 -0.957 7.205 1.00 32.55 C ATOM 1072 O PHE A 69 -6.946 -0.943 8.250 1.00 22.11 O ATOM 1073 CB PHE A 69 -6.826 -1.869 4.955 1.00 54.23 C ATOM 1074 CG PHE A 69 -5.450 -1.197 5.113 1.00 25.24 C ATOM 1075 CD1 PHE A 69 -4.314 -1.942 5.441 1.00 52.22 C ATOM 1076 CD2 PHE A 69 -5.301 0.185 4.953 1.00 33.35 C ATOM 1077 CE1 PHE A 69 -3.083 -1.329 5.598 1.00 53.42 C ATOM 1078 CE2 PHE A 69 -4.074 0.790 5.107 1.00 11.21 C ATOM 1079 CZ PHE A 69 -2.966 0.037 5.431 1.00 72.14 C ATOM 0 H PHE A 69 -9.182 -2.673 5.076 1.00 62.40 H new ATOM 0 HA PHE A 69 -6.994 -2.987 6.794 1.00 31.43 H new ATOM 0 HB2 PHE A 69 -6.701 -2.796 4.395 1.00 54.23 H new ATOM 0 HB3 PHE A 69 -7.467 -1.220 4.359 1.00 54.23 H new ATOM 0 HD1 PHE A 69 -4.398 -3.011 5.574 1.00 52.22 H new ATOM 0 HD2 PHE A 69 -6.163 0.787 4.705 1.00 33.35 H new ATOM 0 HE1 PHE A 69 -2.214 -1.919 5.851 1.00 53.42 H new ATOM 0 HE2 PHE A 69 -3.979 1.858 4.974 1.00 11.21 H new ATOM 0 HZ PHE A 69 -2.006 0.515 5.554 1.00 72.14 H new ATOM 1089 N GLN A 70 -8.316 0.060 6.759 1.00 50.51 N ATOM 1090 CA GLN A 70 -8.414 1.355 7.434 1.00 75.53 C ATOM 1091 C GLN A 70 -9.026 1.239 8.851 1.00 10.10 C ATOM 1092 O GLN A 70 -8.565 1.915 9.775 1.00 65.54 O ATOM 1093 CB GLN A 70 -9.218 2.331 6.542 1.00 12.10 C ATOM 1094 CG GLN A 70 -8.555 2.601 5.174 1.00 74.33 C ATOM 1095 CD GLN A 70 -9.314 3.599 4.307 1.00 4.25 C ATOM 1096 OE1 GLN A 70 -9.987 4.493 4.814 1.00 3.31 O ATOM 1097 NE2 GLN A 70 -9.205 3.466 2.994 1.00 74.11 N ATOM 0 H GLN A 70 -8.873 0.005 5.906 1.00 50.51 H new ATOM 0 HA GLN A 70 -7.407 1.746 7.579 1.00 75.53 H new ATOM 0 HB2 GLN A 70 -10.216 1.924 6.379 1.00 12.10 H new ATOM 0 HB3 GLN A 70 -9.341 3.276 7.070 1.00 12.10 H new ATOM 0 HG2 GLN A 70 -7.544 2.973 5.338 1.00 74.33 H new ATOM 0 HG3 GLN A 70 -8.465 1.659 4.633 1.00 74.33 H new ATOM 0 HE21 GLN A 70 -8.639 2.713 2.603 1.00 74.11 H new ATOM 0 HE22 GLN A 70 -9.687 4.116 2.374 1.00 74.11 H new ATOM 1106 N ASN A 71 -10.054 0.375 9.001 1.00 24.04 N ATOM 1107 CA ASN A 71 -10.736 0.123 10.295 1.00 4.52 C ATOM 1108 C ASN A 71 -9.746 -0.448 11.312 1.00 1.35 C ATOM 1109 O ASN A 71 -9.492 0.153 12.373 1.00 50.21 O ATOM 1110 CB ASN A 71 -11.931 -0.876 10.133 1.00 50.31 C ATOM 1111 CG ASN A 71 -13.059 -0.401 9.211 1.00 0.05 C ATOM 1112 OD1 ASN A 71 -13.316 0.795 9.074 1.00 3.22 O ATOM 1113 ND2 ASN A 71 -13.756 -1.337 8.577 1.00 44.43 N ATOM 0 H ASN A 71 -10.437 -0.170 8.228 1.00 24.04 H new ATOM 0 HA ASN A 71 -11.126 1.078 10.647 1.00 4.52 H new ATOM 0 HB2 ASN A 71 -11.544 -1.821 9.751 1.00 50.31 H new ATOM 0 HB3 ASN A 71 -12.350 -1.079 11.119 1.00 50.31 H new ATOM 0 HD21 ASN A 71 -14.524 -1.071 7.960 1.00 44.43 H new ATOM 0 HD22 ASN A 71 -13.524 -2.322 8.707 1.00 44.43 H new ATOM 1120 N GLU A 72 -9.183 -1.614 10.969 1.00 31.34 N ATOM 1121 CA GLU A 72 -8.290 -2.359 11.855 1.00 24.01 C ATOM 1122 C GLU A 72 -6.992 -1.588 12.122 1.00 12.22 C ATOM 1123 O GLU A 72 -6.557 -1.533 13.251 1.00 72.31 O ATOM 1124 CB GLU A 72 -8.035 -3.777 11.287 1.00 22.34 C ATOM 1125 CG GLU A 72 -9.346 -4.561 11.074 1.00 73.13 C ATOM 1126 CD GLU A 72 -9.149 -6.003 10.606 1.00 12.25 C ATOM 1127 OE1 GLU A 72 -9.055 -6.236 9.384 1.00 72.34 O ATOM 1128 OE2 GLU A 72 -9.103 -6.912 11.466 1.00 72.23 O ATOM 0 H GLU A 72 -9.337 -2.065 10.067 1.00 31.34 H new ATOM 0 HA GLU A 72 -8.776 -2.476 12.824 1.00 24.01 H new ATOM 0 HB2 GLU A 72 -7.503 -3.697 10.339 1.00 22.34 H new ATOM 0 HB3 GLU A 72 -7.389 -4.330 11.969 1.00 22.34 H new ATOM 0 HG2 GLU A 72 -9.907 -4.568 12.009 1.00 73.13 H new ATOM 0 HG3 GLU A 72 -9.956 -4.034 10.340 1.00 73.13 H new ATOM 1135 N ALA A 73 -6.423 -0.930 11.096 1.00 21.02 N ATOM 1136 CA ALA A 73 -5.169 -0.158 11.237 1.00 54.31 C ATOM 1137 C ALA A 73 -5.334 0.992 12.247 1.00 52.15 C ATOM 1138 O ALA A 73 -4.552 1.090 13.198 1.00 62.51 O ATOM 1139 CB ALA A 73 -4.665 0.367 9.877 1.00 20.31 C ATOM 0 H ALA A 73 -6.813 -0.916 10.153 1.00 21.02 H new ATOM 0 HA ALA A 73 -4.412 -0.840 11.624 1.00 54.31 H new ATOM 0 HB1 ALA A 73 -3.742 0.929 10.023 1.00 20.31 H new ATOM 0 HB2 ALA A 73 -4.476 -0.474 9.210 1.00 20.31 H new ATOM 0 HB3 ALA A 73 -5.420 1.018 9.436 1.00 20.31 H new ATOM 1145 N LYS A 74 -6.381 1.838 12.061 1.00 23.10 N ATOM 1146 CA LYS A 74 -6.618 2.991 12.954 1.00 63.31 C ATOM 1147 C LYS A 74 -6.882 2.552 14.411 1.00 41.23 C ATOM 1148 O LYS A 74 -6.466 3.246 15.345 1.00 75.35 O ATOM 1149 CB LYS A 74 -7.769 3.924 12.455 1.00 72.02 C ATOM 1150 CG LYS A 74 -9.203 3.349 12.587 1.00 72.05 C ATOM 1151 CD LYS A 74 -10.312 4.415 12.422 1.00 3.41 C ATOM 1152 CE LYS A 74 -10.322 5.092 11.042 1.00 2.35 C ATOM 1153 NZ LYS A 74 -10.519 4.116 9.941 1.00 25.34 N ATOM 0 H LYS A 74 -7.064 1.741 11.309 1.00 23.10 H new ATOM 0 HA LYS A 74 -5.695 3.570 12.929 1.00 63.31 H new ATOM 0 HB2 LYS A 74 -7.720 4.860 13.011 1.00 72.02 H new ATOM 0 HB3 LYS A 74 -7.589 4.165 11.407 1.00 72.02 H new ATOM 0 HG2 LYS A 74 -9.344 2.570 11.838 1.00 72.05 H new ATOM 0 HG3 LYS A 74 -9.308 2.875 13.563 1.00 72.05 H new ATOM 0 HD2 LYS A 74 -11.281 3.947 12.594 1.00 3.41 H new ATOM 0 HD3 LYS A 74 -10.186 5.178 13.190 1.00 3.41 H new ATOM 0 HE2 LYS A 74 -11.116 5.838 11.011 1.00 2.35 H new ATOM 0 HE3 LYS A 74 -9.381 5.622 10.892 1.00 2.35 H new ATOM 0 HZ1 LYS A 74 -9.666 4.086 9.347 1.00 25.34 H new ATOM 0 HZ2 LYS A 74 -10.696 3.172 10.341 1.00 25.34 H new ATOM 0 HZ3 LYS A 74 -11.334 4.405 9.363 1.00 25.34 H new ATOM 1167 N LYS A 75 -7.570 1.399 14.624 1.00 41.04 N ATOM 1168 CA LYS A 75 -7.877 0.932 15.996 1.00 22.51 C ATOM 1169 C LYS A 75 -6.675 0.192 16.629 1.00 30.24 C ATOM 1170 O LYS A 75 -6.555 0.144 17.858 1.00 11.32 O ATOM 1171 CB LYS A 75 -9.154 0.046 16.035 1.00 44.32 C ATOM 1172 CG LYS A 75 -9.017 -1.365 15.413 1.00 65.40 C ATOM 1173 CD LYS A 75 -10.222 -2.291 15.723 1.00 45.13 C ATOM 1174 CE LYS A 75 -11.588 -1.663 15.369 1.00 14.34 C ATOM 1175 NZ LYS A 75 -11.686 -1.296 13.931 1.00 11.13 N ATOM 0 H LYS A 75 -7.914 0.791 13.881 1.00 41.04 H new ATOM 0 HA LYS A 75 -8.075 1.822 16.593 1.00 22.51 H new ATOM 0 HB2 LYS A 75 -9.464 -0.065 17.074 1.00 44.32 H new ATOM 0 HB3 LYS A 75 -9.955 0.574 15.517 1.00 44.32 H new ATOM 0 HG2 LYS A 75 -8.909 -1.269 14.333 1.00 65.40 H new ATOM 0 HG3 LYS A 75 -8.104 -1.831 15.784 1.00 65.40 H new ATOM 0 HD2 LYS A 75 -10.105 -3.223 15.170 1.00 45.13 H new ATOM 0 HD3 LYS A 75 -10.212 -2.545 16.783 1.00 45.13 H new ATOM 0 HE2 LYS A 75 -12.383 -2.366 15.617 1.00 14.34 H new ATOM 0 HE3 LYS A 75 -11.746 -0.774 15.980 1.00 14.34 H new ATOM 0 HZ1 LYS A 75 -12.593 -0.817 13.756 1.00 11.13 H new ATOM 0 HZ2 LYS A 75 -10.904 -0.658 13.682 1.00 11.13 H new ATOM 0 HZ3 LYS A 75 -11.630 -2.156 13.349 1.00 11.13 H new ATOM 1189 N GLU A 76 -5.789 -0.377 15.787 1.00 55.30 N ATOM 1190 CA GLU A 76 -4.592 -1.117 16.242 1.00 23.33 C ATOM 1191 C GLU A 76 -3.359 -0.196 16.362 1.00 21.31 C ATOM 1192 O GLU A 76 -2.272 -0.659 16.729 1.00 32.23 O ATOM 1193 CB GLU A 76 -4.291 -2.303 15.282 1.00 62.00 C ATOM 1194 CG GLU A 76 -5.343 -3.442 15.278 1.00 41.42 C ATOM 1195 CD GLU A 76 -5.523 -4.129 16.643 1.00 5.13 C ATOM 1196 OE1 GLU A 76 -4.768 -5.079 16.948 1.00 20.24 O ATOM 1197 OE2 GLU A 76 -6.422 -3.724 17.417 1.00 1.11 O ATOM 0 H GLU A 76 -5.882 -0.337 14.772 1.00 55.30 H new ATOM 0 HA GLU A 76 -4.807 -1.509 17.236 1.00 23.33 H new ATOM 0 HB2 GLU A 76 -4.200 -1.913 14.268 1.00 62.00 H new ATOM 0 HB3 GLU A 76 -3.323 -2.727 15.549 1.00 62.00 H new ATOM 0 HG2 GLU A 76 -6.302 -3.036 14.957 1.00 41.42 H new ATOM 0 HG3 GLU A 76 -5.051 -4.190 14.541 1.00 41.42 H new ATOM 1204 N GLY A 77 -3.525 1.100 16.038 1.00 51.35 N ATOM 1205 CA GLY A 77 -2.447 2.090 16.188 1.00 53.43 C ATOM 1206 C GLY A 77 -1.466 2.108 15.019 1.00 41.44 C ATOM 1207 O GLY A 77 -0.394 2.723 15.109 1.00 22.14 O ATOM 0 H GLY A 77 -4.396 1.484 15.671 1.00 51.35 H new ATOM 0 HA2 GLY A 77 -2.888 3.081 16.297 1.00 53.43 H new ATOM 0 HA3 GLY A 77 -1.900 1.882 17.107 1.00 53.43 H new ATOM 1211 N VAL A 78 -1.820 1.407 13.933 1.00 15.13 N ATOM 1212 CA VAL A 78 -1.050 1.412 12.684 1.00 0.43 C ATOM 1213 C VAL A 78 -1.464 2.624 11.843 1.00 64.52 C ATOM 1214 O VAL A 78 -2.643 2.785 11.504 1.00 24.42 O ATOM 1215 CB VAL A 78 -1.277 0.093 11.868 1.00 33.12 C ATOM 1216 CG1 VAL A 78 -0.541 0.123 10.502 1.00 41.34 C ATOM 1217 CG2 VAL A 78 -0.854 -1.129 12.710 1.00 13.42 C ATOM 0 H VAL A 78 -2.652 0.818 13.897 1.00 15.13 H new ATOM 0 HA VAL A 78 0.010 1.473 12.930 1.00 0.43 H new ATOM 0 HB VAL A 78 -2.341 0.011 11.646 1.00 33.12 H new ATOM 0 HG11 VAL A 78 -0.725 -0.810 9.969 1.00 41.34 H new ATOM 0 HG12 VAL A 78 -0.910 0.959 9.908 1.00 41.34 H new ATOM 0 HG13 VAL A 78 0.530 0.241 10.668 1.00 41.34 H new ATOM 0 HG21 VAL A 78 -1.015 -2.041 12.135 1.00 13.42 H new ATOM 0 HG22 VAL A 78 0.202 -1.045 12.968 1.00 13.42 H new ATOM 0 HG23 VAL A 78 -1.449 -1.166 13.623 1.00 13.42 H new ATOM 1227 N SER A 79 -0.490 3.477 11.530 1.00 24.41 N ATOM 1228 CA SER A 79 -0.705 4.681 10.727 1.00 45.20 C ATOM 1229 C SER A 79 -0.775 4.310 9.231 1.00 23.12 C ATOM 1230 O SER A 79 -0.225 3.278 8.821 1.00 41.53 O ATOM 1231 CB SER A 79 0.437 5.667 11.006 1.00 34.30 C ATOM 1232 OG SER A 79 0.515 5.994 12.386 1.00 32.33 O ATOM 0 H SER A 79 0.477 3.352 11.828 1.00 24.41 H new ATOM 0 HA SER A 79 -1.651 5.152 10.994 1.00 45.20 H new ATOM 0 HB2 SER A 79 1.382 5.233 10.680 1.00 34.30 H new ATOM 0 HB3 SER A 79 0.285 6.576 10.423 1.00 34.30 H new ATOM 0 HG SER A 79 1.253 6.622 12.532 1.00 32.33 H new ATOM 1238 N TYR A 80 -1.451 5.149 8.427 1.00 20.02 N ATOM 1239 CA TYR A 80 -1.611 4.919 6.978 1.00 3.13 C ATOM 1240 C TYR A 80 -2.041 6.209 6.254 1.00 61.41 C ATOM 1241 O TYR A 80 -2.713 7.063 6.841 1.00 4.24 O ATOM 1242 CB TYR A 80 -2.637 3.778 6.699 1.00 21.41 C ATOM 1243 CG TYR A 80 -4.058 4.031 7.253 1.00 1.43 C ATOM 1244 CD1 TYR A 80 -4.389 3.699 8.573 1.00 73.13 C ATOM 1245 CD2 TYR A 80 -5.058 4.619 6.463 1.00 42.10 C ATOM 1246 CE1 TYR A 80 -5.654 3.926 9.073 1.00 2.33 C ATOM 1247 CE2 TYR A 80 -6.323 4.850 6.967 1.00 63.22 C ATOM 1248 CZ TYR A 80 -6.612 4.508 8.270 1.00 24.21 C ATOM 1249 OH TYR A 80 -7.877 4.733 8.766 1.00 2.12 O ATOM 0 H TYR A 80 -1.900 6.002 8.760 1.00 20.02 H new ATOM 0 HA TYR A 80 -0.640 4.613 6.588 1.00 3.13 H new ATOM 0 HB2 TYR A 80 -2.705 3.625 5.622 1.00 21.41 H new ATOM 0 HB3 TYR A 80 -2.255 2.852 7.129 1.00 21.41 H new ATOM 0 HD1 TYR A 80 -3.639 3.257 9.212 1.00 73.13 H new ATOM 0 HD2 TYR A 80 -4.834 4.896 5.443 1.00 42.10 H new ATOM 0 HE1 TYR A 80 -5.893 3.649 10.089 1.00 2.33 H new ATOM 0 HE2 TYR A 80 -7.082 5.297 6.342 1.00 63.22 H new ATOM 0 HH TYR A 80 -8.431 5.150 8.073 1.00 2.12 H new ATOM 1259 N ASP A 81 -1.637 6.324 4.978 1.00 40.02 N ATOM 1260 CA ASP A 81 -2.131 7.340 4.029 1.00 74.54 C ATOM 1261 C ASP A 81 -2.569 6.614 2.756 1.00 73.02 C ATOM 1262 O ASP A 81 -1.786 5.860 2.169 1.00 62.12 O ATOM 1263 CB ASP A 81 -1.045 8.406 3.694 1.00 74.43 C ATOM 1264 CG ASP A 81 -0.773 9.396 4.845 1.00 45.31 C ATOM 1265 OD1 ASP A 81 -1.714 10.107 5.263 1.00 3.34 O ATOM 1266 OD2 ASP A 81 0.380 9.492 5.320 1.00 3.44 O ATOM 0 H ASP A 81 -0.943 5.700 4.567 1.00 40.02 H new ATOM 0 HA ASP A 81 -2.965 7.876 4.481 1.00 74.54 H new ATOM 0 HB2 ASP A 81 -0.116 7.897 3.437 1.00 74.43 H new ATOM 0 HB3 ASP A 81 -1.357 8.965 2.812 1.00 74.43 H new ATOM 1271 N VAL A 82 -3.827 6.826 2.353 1.00 12.42 N ATOM 1272 CA VAL A 82 -4.418 6.207 1.156 1.00 42.30 C ATOM 1273 C VAL A 82 -4.163 7.101 -0.073 1.00 43.04 C ATOM 1274 O VAL A 82 -4.435 8.302 -0.044 1.00 10.44 O ATOM 1275 CB VAL A 82 -5.963 5.966 1.346 1.00 1.30 C ATOM 1276 CG1 VAL A 82 -6.592 5.275 0.108 1.00 71.51 C ATOM 1277 CG2 VAL A 82 -6.238 5.152 2.636 1.00 44.33 C ATOM 0 H VAL A 82 -4.472 7.438 2.852 1.00 12.42 H new ATOM 0 HA VAL A 82 -3.945 5.238 1.000 1.00 42.30 H new ATOM 0 HB VAL A 82 -6.438 6.942 1.449 1.00 1.30 H new ATOM 0 HG11 VAL A 82 -7.658 5.126 0.277 1.00 71.51 H new ATOM 0 HG12 VAL A 82 -6.448 5.903 -0.771 1.00 71.51 H new ATOM 0 HG13 VAL A 82 -6.112 4.310 -0.053 1.00 71.51 H new ATOM 0 HG21 VAL A 82 -7.311 4.998 2.747 1.00 44.33 H new ATOM 0 HG22 VAL A 82 -5.737 4.186 2.570 1.00 44.33 H new ATOM 0 HG23 VAL A 82 -5.859 5.699 3.499 1.00 44.33 H new ATOM 1287 N LEU A 83 -3.637 6.494 -1.137 1.00 11.44 N ATOM 1288 CA LEU A 83 -3.314 7.155 -2.406 1.00 41.25 C ATOM 1289 C LEU A 83 -4.154 6.520 -3.526 1.00 14.53 C ATOM 1290 O LEU A 83 -3.998 5.338 -3.810 1.00 72.00 O ATOM 1291 CB LEU A 83 -1.803 6.978 -2.703 1.00 64.54 C ATOM 1292 CG LEU A 83 -1.286 7.565 -4.061 1.00 63.34 C ATOM 1293 CD1 LEU A 83 -1.355 9.105 -4.077 1.00 50.21 C ATOM 1294 CD2 LEU A 83 0.134 7.051 -4.373 1.00 42.21 C ATOM 0 H LEU A 83 -3.416 5.498 -1.142 1.00 11.44 H new ATOM 0 HA LEU A 83 -3.541 8.219 -2.346 1.00 41.25 H new ATOM 0 HB2 LEU A 83 -1.239 7.442 -1.894 1.00 64.54 H new ATOM 0 HB3 LEU A 83 -1.573 5.913 -2.682 1.00 64.54 H new ATOM 0 HG LEU A 83 -1.947 7.213 -4.853 1.00 63.34 H new ATOM 0 HD11 LEU A 83 -0.988 9.476 -5.034 1.00 50.21 H new ATOM 0 HD12 LEU A 83 -2.387 9.424 -3.935 1.00 50.21 H new ATOM 0 HD13 LEU A 83 -0.738 9.505 -3.273 1.00 50.21 H new ATOM 0 HD21 LEU A 83 0.473 7.471 -5.320 1.00 42.21 H new ATOM 0 HD22 LEU A 83 0.814 7.355 -3.577 1.00 42.21 H new ATOM 0 HD23 LEU A 83 0.120 5.963 -4.443 1.00 42.21 H new ATOM 1306 N LYS A 84 -5.052 7.303 -4.142 1.00 73.33 N ATOM 1307 CA LYS A 84 -5.858 6.856 -5.294 1.00 42.11 C ATOM 1308 C LYS A 84 -5.422 7.639 -6.540 1.00 1.43 C ATOM 1309 O LYS A 84 -5.665 8.851 -6.624 1.00 11.43 O ATOM 1310 CB LYS A 84 -7.376 7.057 -5.055 1.00 61.13 C ATOM 1311 CG LYS A 84 -7.966 6.313 -3.835 1.00 55.31 C ATOM 1312 CD LYS A 84 -9.519 6.279 -3.872 1.00 52.12 C ATOM 1313 CE LYS A 84 -10.153 5.711 -2.591 1.00 20.24 C ATOM 1314 NZ LYS A 84 -9.974 6.612 -1.426 1.00 22.12 N ATOM 0 H LYS A 84 -5.242 8.264 -3.858 1.00 73.33 H new ATOM 0 HA LYS A 84 -5.689 5.788 -5.434 1.00 42.11 H new ATOM 0 HB2 LYS A 84 -7.568 8.123 -4.935 1.00 61.13 H new ATOM 0 HB3 LYS A 84 -7.912 6.735 -5.948 1.00 61.13 H new ATOM 0 HG2 LYS A 84 -7.581 5.293 -3.811 1.00 55.31 H new ATOM 0 HG3 LYS A 84 -7.635 6.800 -2.918 1.00 55.31 H new ATOM 0 HD2 LYS A 84 -9.892 7.290 -4.035 1.00 52.12 H new ATOM 0 HD3 LYS A 84 -9.841 5.679 -4.723 1.00 52.12 H new ATOM 0 HE2 LYS A 84 -11.217 5.544 -2.758 1.00 20.24 H new ATOM 0 HE3 LYS A 84 -9.709 4.741 -2.368 1.00 20.24 H new ATOM 0 HZ1 LYS A 84 -10.461 6.211 -0.599 1.00 22.12 H new ATOM 0 HZ2 LYS A 84 -8.960 6.711 -1.216 1.00 22.12 H new ATOM 0 HZ3 LYS A 84 -10.375 7.546 -1.645 1.00 22.12 H new ATOM 1328 N SER A 85 -4.760 6.951 -7.482 1.00 25.33 N ATOM 1329 CA SER A 85 -4.258 7.559 -8.734 1.00 53.44 C ATOM 1330 C SER A 85 -4.143 6.483 -9.836 1.00 12.42 C ATOM 1331 O SER A 85 -3.705 5.363 -9.569 1.00 20.25 O ATOM 1332 CB SER A 85 -2.880 8.235 -8.493 1.00 61.45 C ATOM 1333 OG SER A 85 -2.960 9.269 -7.527 1.00 43.04 O ATOM 0 H SER A 85 -4.555 5.955 -7.402 1.00 25.33 H new ATOM 0 HA SER A 85 -4.964 8.322 -9.061 1.00 53.44 H new ATOM 0 HB2 SER A 85 -2.161 7.485 -8.164 1.00 61.45 H new ATOM 0 HB3 SER A 85 -2.507 8.644 -9.432 1.00 61.45 H new ATOM 0 HG SER A 85 -2.074 9.669 -7.402 1.00 43.04 H new ATOM 1339 N THR A 86 -4.551 6.834 -11.074 1.00 63.15 N ATOM 1340 CA THR A 86 -4.403 5.967 -12.260 1.00 62.23 C ATOM 1341 C THR A 86 -3.342 6.589 -13.193 1.00 3.13 C ATOM 1342 O THR A 86 -3.681 7.370 -14.100 1.00 63.13 O ATOM 1343 CB THR A 86 -5.771 5.776 -13.016 1.00 35.50 C ATOM 1344 OG1 THR A 86 -6.352 7.059 -13.313 1.00 32.22 O ATOM 1345 CG2 THR A 86 -6.787 4.951 -12.200 1.00 31.31 C ATOM 0 H THR A 86 -4.994 7.730 -11.279 1.00 63.15 H new ATOM 0 HA THR A 86 -4.082 4.976 -11.939 1.00 62.23 H new ATOM 0 HB THR A 86 -5.550 5.230 -13.933 1.00 35.50 H new ATOM 0 HG1 THR A 86 -5.683 7.628 -13.749 1.00 32.22 H new ATOM 0 HG21 THR A 86 -7.712 4.849 -12.767 1.00 31.31 H new ATOM 0 HG22 THR A 86 -6.375 3.962 -11.998 1.00 31.31 H new ATOM 0 HG23 THR A 86 -6.993 5.457 -11.257 1.00 31.31 H new ATOM 1353 N ASP A 87 -2.058 6.281 -12.937 1.00 61.34 N ATOM 1354 CA ASP A 87 -0.925 6.866 -13.678 1.00 75.43 C ATOM 1355 C ASP A 87 0.373 6.148 -13.253 1.00 30.42 C ATOM 1356 O ASP A 87 0.692 6.133 -12.056 1.00 14.13 O ATOM 1357 CB ASP A 87 -0.806 8.394 -13.418 1.00 0.53 C ATOM 1358 CG ASP A 87 0.190 9.082 -14.368 1.00 22.42 C ATOM 1359 OD1 ASP A 87 1.402 9.089 -14.078 1.00 52.34 O ATOM 1360 OD2 ASP A 87 -0.238 9.608 -15.419 1.00 72.40 O ATOM 0 H ASP A 87 -1.776 5.621 -12.212 1.00 61.34 H new ATOM 0 HA ASP A 87 -1.094 6.729 -14.746 1.00 75.43 H new ATOM 0 HB2 ASP A 87 -1.787 8.855 -13.531 1.00 0.53 H new ATOM 0 HB3 ASP A 87 -0.492 8.560 -12.387 1.00 0.53 H new ATOM 1365 N PRO A 88 1.156 5.566 -14.218 1.00 14.35 N ATOM 1366 CA PRO A 88 2.314 4.703 -13.890 1.00 52.21 C ATOM 1367 C PRO A 88 3.493 5.464 -13.232 1.00 43.42 C ATOM 1368 O PRO A 88 4.135 4.929 -12.334 1.00 72.23 O ATOM 1369 CB PRO A 88 2.705 4.098 -15.264 1.00 72.23 C ATOM 1370 CG PRO A 88 2.255 5.121 -16.264 1.00 54.13 C ATOM 1371 CD PRO A 88 0.978 5.708 -15.692 1.00 33.21 C ATOM 0 HA PRO A 88 2.061 3.953 -13.141 1.00 52.21 H new ATOM 0 HB2 PRO A 88 3.779 3.923 -15.330 1.00 72.23 H new ATOM 0 HB3 PRO A 88 2.215 3.138 -15.429 1.00 72.23 H new ATOM 0 HG2 PRO A 88 3.013 5.892 -16.406 1.00 54.13 H new ATOM 0 HG3 PRO A 88 2.077 4.666 -17.238 1.00 54.13 H new ATOM 0 HD2 PRO A 88 0.851 6.751 -15.982 1.00 33.21 H new ATOM 0 HD3 PRO A 88 0.097 5.170 -16.043 1.00 33.21 H new ATOM 1379 N GLU A 89 3.748 6.728 -13.642 1.00 61.24 N ATOM 1380 CA GLU A 89 4.933 7.479 -13.153 1.00 74.00 C ATOM 1381 C GLU A 89 4.606 8.216 -11.847 1.00 31.32 C ATOM 1382 O GLU A 89 5.482 8.404 -10.993 1.00 30.43 O ATOM 1383 CB GLU A 89 5.487 8.466 -14.215 1.00 2.12 C ATOM 1384 CG GLU A 89 4.521 9.576 -14.660 1.00 70.42 C ATOM 1385 CD GLU A 89 5.138 10.642 -15.578 1.00 43.12 C ATOM 1386 OE1 GLU A 89 6.125 10.348 -16.287 1.00 42.14 O ATOM 1387 OE2 GLU A 89 4.623 11.781 -15.609 1.00 13.44 O ATOM 0 H GLU A 89 3.162 7.244 -14.298 1.00 61.24 H new ATOM 0 HA GLU A 89 5.717 6.747 -12.958 1.00 74.00 H new ATOM 0 HB2 GLU A 89 6.388 8.932 -13.816 1.00 2.12 H new ATOM 0 HB3 GLU A 89 5.786 7.895 -15.094 1.00 2.12 H new ATOM 0 HG2 GLU A 89 3.677 9.118 -15.176 1.00 70.42 H new ATOM 0 HG3 GLU A 89 4.123 10.068 -13.773 1.00 70.42 H new ATOM 1394 N GLU A 90 3.328 8.618 -11.702 1.00 34.05 N ATOM 1395 CA GLU A 90 2.833 9.317 -10.511 1.00 53.35 C ATOM 1396 C GLU A 90 2.825 8.369 -9.311 1.00 74.33 C ATOM 1397 O GLU A 90 3.317 8.712 -8.239 1.00 64.00 O ATOM 1398 CB GLU A 90 1.421 9.883 -10.764 1.00 2.13 C ATOM 1399 CG GLU A 90 0.749 10.552 -9.546 1.00 73.20 C ATOM 1400 CD GLU A 90 -0.630 11.146 -9.869 1.00 63.32 C ATOM 1401 OE1 GLU A 90 -1.454 10.446 -10.487 1.00 33.01 O ATOM 1402 OE2 GLU A 90 -0.897 12.310 -9.508 1.00 2.14 O ATOM 0 H GLU A 90 2.612 8.464 -12.412 1.00 34.05 H new ATOM 0 HA GLU A 90 3.500 10.151 -10.292 1.00 53.35 H new ATOM 0 HB2 GLU A 90 1.480 10.613 -11.572 1.00 2.13 H new ATOM 0 HB3 GLU A 90 0.780 9.073 -11.112 1.00 2.13 H new ATOM 0 HG2 GLU A 90 0.643 9.817 -8.748 1.00 73.20 H new ATOM 0 HG3 GLU A 90 1.399 11.342 -9.168 1.00 73.20 H new ATOM 1409 N LEU A 91 2.296 7.151 -9.516 1.00 14.21 N ATOM 1410 CA LEU A 91 2.271 6.130 -8.462 1.00 70.44 C ATOM 1411 C LEU A 91 3.710 5.757 -8.039 1.00 0.21 C ATOM 1412 O LEU A 91 3.988 5.633 -6.849 1.00 45.15 O ATOM 1413 CB LEU A 91 1.473 4.881 -8.907 1.00 2.13 C ATOM 1414 CG LEU A 91 -0.071 5.049 -9.028 1.00 12.24 C ATOM 1415 CD1 LEU A 91 -0.744 3.736 -9.482 1.00 35.41 C ATOM 1416 CD2 LEU A 91 -0.672 5.549 -7.700 1.00 60.42 C ATOM 0 H LEU A 91 1.882 6.853 -10.399 1.00 14.21 H new ATOM 0 HA LEU A 91 1.759 6.548 -7.595 1.00 70.44 H new ATOM 0 HB2 LEU A 91 1.858 4.557 -9.874 1.00 2.13 H new ATOM 0 HB3 LEU A 91 1.674 4.077 -8.199 1.00 2.13 H new ATOM 0 HG LEU A 91 -0.267 5.800 -9.793 1.00 12.24 H new ATOM 0 HD11 LEU A 91 -1.821 3.886 -9.557 1.00 35.41 H new ATOM 0 HD12 LEU A 91 -0.350 3.443 -10.455 1.00 35.41 H new ATOM 0 HD13 LEU A 91 -0.537 2.951 -8.755 1.00 35.41 H new ATOM 0 HD21 LEU A 91 -1.751 5.659 -7.808 1.00 60.42 H new ATOM 0 HD22 LEU A 91 -0.458 4.829 -6.910 1.00 60.42 H new ATOM 0 HD23 LEU A 91 -0.233 6.513 -7.442 1.00 60.42 H new ATOM 1428 N THR A 92 4.626 5.641 -9.031 1.00 65.04 N ATOM 1429 CA THR A 92 6.039 5.280 -8.785 1.00 62.50 C ATOM 1430 C THR A 92 6.752 6.341 -7.929 1.00 22.02 C ATOM 1431 O THR A 92 7.439 5.994 -6.955 1.00 42.52 O ATOM 1432 CB THR A 92 6.814 5.055 -10.130 1.00 31.30 C ATOM 1433 OG1 THR A 92 6.171 4.006 -10.861 1.00 23.35 O ATOM 1434 CG2 THR A 92 8.299 4.680 -9.919 1.00 41.15 C ATOM 0 H THR A 92 4.406 5.794 -10.015 1.00 65.04 H new ATOM 0 HA THR A 92 6.036 4.342 -8.230 1.00 62.50 H new ATOM 0 HB THR A 92 6.795 5.997 -10.677 1.00 31.30 H new ATOM 0 HG1 THR A 92 5.529 4.393 -11.492 1.00 23.35 H new ATOM 0 HG21 THR A 92 8.779 4.538 -10.887 1.00 41.15 H new ATOM 0 HG22 THR A 92 8.803 5.481 -9.378 1.00 41.15 H new ATOM 0 HG23 THR A 92 8.363 3.757 -9.343 1.00 41.15 H new ATOM 1442 N GLN A 93 6.546 7.633 -8.275 1.00 42.41 N ATOM 1443 CA GLN A 93 7.220 8.746 -7.592 1.00 43.43 C ATOM 1444 C GLN A 93 6.721 8.871 -6.142 1.00 4.20 C ATOM 1445 O GLN A 93 7.525 9.110 -5.246 1.00 72.32 O ATOM 1446 CB GLN A 93 7.060 10.097 -8.364 1.00 12.14 C ATOM 1447 CG GLN A 93 5.674 10.761 -8.290 1.00 0.13 C ATOM 1448 CD GLN A 93 5.573 12.055 -9.098 1.00 60.03 C ATOM 1449 OE1 GLN A 93 5.207 12.042 -10.272 1.00 52.24 O ATOM 1450 NE2 GLN A 93 5.913 13.178 -8.480 1.00 33.32 N ATOM 0 H GLN A 93 5.917 7.924 -9.024 1.00 42.41 H new ATOM 0 HA GLN A 93 8.286 8.520 -7.573 1.00 43.43 H new ATOM 0 HB2 GLN A 93 7.798 10.801 -7.980 1.00 12.14 H new ATOM 0 HB3 GLN A 93 7.301 9.923 -9.413 1.00 12.14 H new ATOM 0 HG2 GLN A 93 4.923 10.058 -8.650 1.00 0.13 H new ATOM 0 HG3 GLN A 93 5.437 10.974 -7.248 1.00 0.13 H new ATOM 0 HE21 GLN A 93 6.212 13.153 -7.505 1.00 33.32 H new ATOM 0 HE22 GLN A 93 5.875 14.067 -8.979 1.00 33.32 H new ATOM 1459 N ARG A 94 5.399 8.652 -5.917 1.00 51.22 N ATOM 1460 CA ARG A 94 4.782 8.799 -4.581 1.00 22.04 C ATOM 1461 C ARG A 94 5.227 7.667 -3.637 1.00 14.11 C ATOM 1462 O ARG A 94 5.451 7.910 -2.452 1.00 34.21 O ATOM 1463 CB ARG A 94 3.236 8.851 -4.669 1.00 51.11 C ATOM 1464 CG ARG A 94 2.668 10.022 -5.510 1.00 1.54 C ATOM 1465 CD ARG A 94 3.119 11.413 -5.030 1.00 11.11 C ATOM 1466 NE ARG A 94 2.657 12.482 -5.939 1.00 31.43 N ATOM 1467 CZ ARG A 94 3.349 13.582 -6.275 1.00 15.20 C ATOM 1468 NH1 ARG A 94 4.569 13.803 -5.792 1.00 0.52 N ATOM 1469 NH2 ARG A 94 2.802 14.466 -7.084 1.00 12.22 N ATOM 0 H ARG A 94 4.743 8.373 -6.647 1.00 51.22 H new ATOM 0 HA ARG A 94 5.127 9.748 -4.170 1.00 22.04 H new ATOM 0 HB2 ARG A 94 2.879 7.912 -5.093 1.00 51.11 H new ATOM 0 HB3 ARG A 94 2.831 8.919 -3.659 1.00 51.11 H new ATOM 0 HG2 ARG A 94 2.972 9.891 -6.549 1.00 1.54 H new ATOM 0 HG3 ARG A 94 1.579 9.977 -5.488 1.00 1.54 H new ATOM 0 HD2 ARG A 94 2.731 11.595 -4.028 1.00 11.11 H new ATOM 0 HD3 ARG A 94 4.206 11.439 -4.961 1.00 11.11 H new ATOM 0 HE ARG A 94 1.729 12.375 -6.348 1.00 31.43 H new ATOM 0 HH11 ARG A 94 4.995 13.130 -5.154 1.00 0.52 H new ATOM 0 HH12 ARG A 94 5.079 14.645 -6.060 1.00 0.52 H new ATOM 0 HH21 ARG A 94 1.862 14.311 -7.448 1.00 12.22 H new ATOM 0 HH22 ARG A 94 3.318 15.306 -7.346 1.00 12.22 H new ATOM 1483 N VAL A 95 5.354 6.443 -4.187 1.00 2.15 N ATOM 1484 CA VAL A 95 5.850 5.264 -3.451 1.00 40.32 C ATOM 1485 C VAL A 95 7.290 5.499 -2.963 1.00 44.42 C ATOM 1486 O VAL A 95 7.569 5.430 -1.758 1.00 51.41 O ATOM 1487 CB VAL A 95 5.760 3.965 -4.349 1.00 22.43 C ATOM 1488 CG1 VAL A 95 6.550 2.769 -3.756 1.00 55.20 C ATOM 1489 CG2 VAL A 95 4.280 3.571 -4.589 1.00 75.14 C ATOM 0 H VAL A 95 5.114 6.244 -5.158 1.00 2.15 H new ATOM 0 HA VAL A 95 5.217 5.112 -2.577 1.00 40.32 H new ATOM 0 HB VAL A 95 6.226 4.210 -5.303 1.00 22.43 H new ATOM 0 HG11 VAL A 95 6.452 1.906 -4.415 1.00 55.20 H new ATOM 0 HG12 VAL A 95 7.602 3.038 -3.664 1.00 55.20 H new ATOM 0 HG13 VAL A 95 6.151 2.522 -2.772 1.00 55.20 H new ATOM 0 HG21 VAL A 95 4.238 2.675 -5.209 1.00 75.14 H new ATOM 0 HG22 VAL A 95 3.796 3.374 -3.632 1.00 75.14 H new ATOM 0 HG23 VAL A 95 3.764 4.387 -5.095 1.00 75.14 H new ATOM 1499 N ARG A 96 8.185 5.829 -3.909 1.00 43.22 N ATOM 1500 CA ARG A 96 9.623 5.919 -3.636 1.00 60.43 C ATOM 1501 C ARG A 96 9.972 7.150 -2.765 1.00 51.14 C ATOM 1502 O ARG A 96 10.914 7.096 -1.963 1.00 54.43 O ATOM 1503 CB ARG A 96 10.438 5.890 -4.961 1.00 73.21 C ATOM 1504 CG ARG A 96 10.308 7.130 -5.869 1.00 21.31 C ATOM 1505 CD ARG A 96 11.039 6.946 -7.216 1.00 64.32 C ATOM 1506 NE ARG A 96 12.477 6.654 -7.033 1.00 42.21 N ATOM 1507 CZ ARG A 96 13.315 6.185 -7.977 1.00 53.34 C ATOM 1508 NH1 ARG A 96 12.894 5.942 -9.213 1.00 21.15 N ATOM 1509 NH2 ARG A 96 14.579 5.949 -7.673 1.00 71.34 N ATOM 0 H ARG A 96 7.932 6.038 -4.875 1.00 43.22 H new ATOM 0 HA ARG A 96 9.907 5.042 -3.054 1.00 60.43 H new ATOM 0 HB2 ARG A 96 11.491 5.756 -4.712 1.00 73.21 H new ATOM 0 HB3 ARG A 96 10.132 5.014 -5.532 1.00 73.21 H new ATOM 0 HG2 ARG A 96 9.253 7.333 -6.055 1.00 21.31 H new ATOM 0 HG3 ARG A 96 10.714 8.000 -5.353 1.00 21.31 H new ATOM 0 HD2 ARG A 96 10.573 6.133 -7.773 1.00 64.32 H new ATOM 0 HD3 ARG A 96 10.926 7.849 -7.816 1.00 64.32 H new ATOM 0 HE ARG A 96 12.870 6.823 -6.107 1.00 42.21 H new ATOM 0 HH11 ARG A 96 11.919 6.111 -9.462 1.00 21.15 H new ATOM 0 HH12 ARG A 96 13.545 5.587 -9.913 1.00 21.15 H new ATOM 0 HH21 ARG A 96 14.917 6.122 -6.726 1.00 71.34 H new ATOM 0 HH22 ARG A 96 15.217 5.594 -8.385 1.00 71.34 H new ATOM 1523 N GLU A 97 9.210 8.258 -2.913 1.00 44.10 N ATOM 1524 CA GLU A 97 9.422 9.464 -2.088 1.00 34.51 C ATOM 1525 C GLU A 97 8.906 9.245 -0.654 1.00 72.53 C ATOM 1526 O GLU A 97 9.509 9.740 0.297 1.00 61.15 O ATOM 1527 CB GLU A 97 8.780 10.730 -2.715 1.00 22.41 C ATOM 1528 CG GLU A 97 7.245 10.823 -2.611 1.00 22.12 C ATOM 1529 CD GLU A 97 6.677 12.049 -3.335 1.00 13.52 C ATOM 1530 OE1 GLU A 97 6.431 11.963 -4.554 1.00 34.00 O ATOM 1531 OE2 GLU A 97 6.501 13.109 -2.698 1.00 70.23 O ATOM 0 H GLU A 97 8.451 8.340 -3.589 1.00 44.10 H new ATOM 0 HA GLU A 97 10.498 9.637 -2.050 1.00 34.51 H new ATOM 0 HB2 GLU A 97 9.212 11.609 -2.236 1.00 22.41 H new ATOM 0 HB3 GLU A 97 9.058 10.772 -3.768 1.00 22.41 H new ATOM 0 HG2 GLU A 97 6.801 9.920 -3.030 1.00 22.12 H new ATOM 0 HG3 GLU A 97 6.958 10.861 -1.560 1.00 22.12 H new ATOM 1538 N PHE A 98 7.793 8.494 -0.507 1.00 52.30 N ATOM 1539 CA PHE A 98 7.217 8.144 0.805 1.00 10.42 C ATOM 1540 C PHE A 98 8.224 7.316 1.621 1.00 64.22 C ATOM 1541 O PHE A 98 8.437 7.566 2.807 1.00 74.41 O ATOM 1542 CB PHE A 98 5.897 7.351 0.590 1.00 51.21 C ATOM 1543 CG PHE A 98 5.150 6.949 1.865 1.00 73.40 C ATOM 1544 CD1 PHE A 98 4.306 7.855 2.515 1.00 53.30 C ATOM 1545 CD2 PHE A 98 5.281 5.665 2.406 1.00 12.33 C ATOM 1546 CE1 PHE A 98 3.625 7.489 3.661 1.00 23.55 C ATOM 1547 CE2 PHE A 98 4.598 5.310 3.553 1.00 11.50 C ATOM 1548 CZ PHE A 98 3.775 6.217 4.175 1.00 21.20 C ATOM 0 H PHE A 98 7.270 8.114 -1.296 1.00 52.30 H new ATOM 0 HA PHE A 98 6.997 9.054 1.363 1.00 10.42 H new ATOM 0 HB2 PHE A 98 5.229 7.953 -0.026 1.00 51.21 H new ATOM 0 HB3 PHE A 98 6.125 6.448 0.024 1.00 51.21 H new ATOM 0 HD1 PHE A 98 4.185 8.852 2.117 1.00 53.30 H new ATOM 0 HD2 PHE A 98 5.923 4.944 1.922 1.00 12.33 H new ATOM 0 HE1 PHE A 98 2.976 8.198 4.154 1.00 23.55 H new ATOM 0 HE2 PHE A 98 4.711 4.317 3.962 1.00 11.50 H new ATOM 0 HZ PHE A 98 3.243 5.933 5.071 1.00 21.20 H new ATOM 1558 N LEU A 99 8.861 6.351 0.946 1.00 44.13 N ATOM 1559 CA LEU A 99 9.831 5.440 1.574 1.00 24.54 C ATOM 1560 C LEU A 99 11.129 6.161 1.986 1.00 70.24 C ATOM 1561 O LEU A 99 11.791 5.740 2.947 1.00 23.45 O ATOM 1562 CB LEU A 99 10.123 4.253 0.628 1.00 25.53 C ATOM 1563 CG LEU A 99 8.901 3.331 0.334 1.00 70.13 C ATOM 1564 CD1 LEU A 99 9.249 2.252 -0.705 1.00 12.01 C ATOM 1565 CD2 LEU A 99 8.345 2.714 1.643 1.00 21.32 C ATOM 0 H LEU A 99 8.720 6.178 -0.049 1.00 44.13 H new ATOM 0 HA LEU A 99 9.387 5.059 2.494 1.00 24.54 H new ATOM 0 HB2 LEU A 99 10.500 4.645 -0.317 1.00 25.53 H new ATOM 0 HB3 LEU A 99 10.919 3.649 1.062 1.00 25.53 H new ATOM 0 HG LEU A 99 8.112 3.946 -0.099 1.00 70.13 H new ATOM 0 HD11 LEU A 99 8.375 1.627 -0.887 1.00 12.01 H new ATOM 0 HD12 LEU A 99 9.554 2.729 -1.636 1.00 12.01 H new ATOM 0 HD13 LEU A 99 10.065 1.635 -0.329 1.00 12.01 H new ATOM 0 HD21 LEU A 99 7.493 2.075 1.411 1.00 21.32 H new ATOM 0 HD22 LEU A 99 9.123 2.121 2.125 1.00 21.32 H new ATOM 0 HD23 LEU A 99 8.028 3.511 2.315 1.00 21.32 H new ATOM 1577 N LYS A 100 11.481 7.261 1.285 1.00 33.12 N ATOM 1578 CA LYS A 100 12.725 8.001 1.576 1.00 4.14 C ATOM 1579 C LYS A 100 12.480 9.064 2.675 1.00 51.33 C ATOM 1580 O LYS A 100 13.378 9.333 3.476 1.00 14.02 O ATOM 1581 CB LYS A 100 13.344 8.641 0.292 1.00 2.30 C ATOM 1582 CG LYS A 100 12.691 9.954 -0.199 1.00 62.44 C ATOM 1583 CD LYS A 100 13.349 10.519 -1.481 1.00 12.14 C ATOM 1584 CE LYS A 100 13.212 9.582 -2.696 1.00 51.30 C ATOM 1585 NZ LYS A 100 13.910 10.119 -3.888 1.00 73.30 N ATOM 0 H LYS A 100 10.927 7.651 0.522 1.00 33.12 H new ATOM 0 HA LYS A 100 13.455 7.283 1.949 1.00 4.14 H new ATOM 0 HB2 LYS A 100 14.400 8.833 0.480 1.00 2.30 H new ATOM 0 HB3 LYS A 100 13.292 7.910 -0.515 1.00 2.30 H new ATOM 0 HG2 LYS A 100 11.632 9.777 -0.389 1.00 62.44 H new ATOM 0 HG3 LYS A 100 12.752 10.701 0.593 1.00 62.44 H new ATOM 0 HD2 LYS A 100 12.897 11.482 -1.720 1.00 12.14 H new ATOM 0 HD3 LYS A 100 14.406 10.702 -1.289 1.00 12.14 H new ATOM 0 HE2 LYS A 100 13.620 8.602 -2.447 1.00 51.30 H new ATOM 0 HE3 LYS A 100 12.156 9.439 -2.927 1.00 51.30 H new ATOM 0 HZ1 LYS A 100 13.794 9.460 -4.684 1.00 73.30 H new ATOM 0 HZ2 LYS A 100 13.504 11.042 -4.141 1.00 73.30 H new ATOM 0 HZ3 LYS A 100 14.922 10.232 -3.676 1.00 73.30 H new ATOM 1599 N THR A 101 11.251 9.640 2.736 1.00 60.40 N ATOM 1600 CA THR A 101 10.943 10.768 3.640 1.00 42.04 C ATOM 1601 C THR A 101 10.335 10.269 4.953 1.00 50.31 C ATOM 1602 O THR A 101 10.867 10.567 6.023 1.00 54.24 O ATOM 1603 CB THR A 101 9.981 11.814 2.981 1.00 34.34 C ATOM 1604 OG1 THR A 101 8.776 11.164 2.532 1.00 54.14 O ATOM 1605 CG2 THR A 101 10.657 12.532 1.802 1.00 22.20 C ATOM 0 H THR A 101 10.460 9.338 2.167 1.00 60.40 H new ATOM 0 HA THR A 101 11.891 11.265 3.846 1.00 42.04 H new ATOM 0 HB THR A 101 9.732 12.561 3.735 1.00 34.34 H new ATOM 0 HG1 THR A 101 8.965 10.648 1.720 1.00 54.14 H new ATOM 0 HG21 THR A 101 9.962 13.251 1.367 1.00 22.20 H new ATOM 0 HG22 THR A 101 11.546 13.054 2.155 1.00 22.20 H new ATOM 0 HG23 THR A 101 10.943 11.801 1.046 1.00 22.20 H new ATOM 1613 N ALA A 102 9.226 9.484 4.867 1.00 44.41 N ATOM 1614 CA ALA A 102 8.509 8.944 6.053 1.00 63.34 C ATOM 1615 C ALA A 102 9.413 8.027 6.900 1.00 54.50 C ATOM 1616 O ALA A 102 9.116 7.768 8.072 1.00 31.13 O ATOM 1617 CB ALA A 102 7.217 8.221 5.632 1.00 23.43 C ATOM 0 H ALA A 102 8.807 9.210 3.978 1.00 44.41 H new ATOM 0 HA ALA A 102 8.233 9.790 6.682 1.00 63.34 H new ATOM 0 HB1 ALA A 102 6.711 7.835 6.517 1.00 23.43 H new ATOM 0 HB2 ALA A 102 6.561 8.921 5.115 1.00 23.43 H new ATOM 0 HB3 ALA A 102 7.463 7.394 4.966 1.00 23.43 H new