USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 667 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot -160:sc= -0.0471 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= -0.0437 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.168 K(o=-1.7,f=-2.2) USER MOD Set 2.3: A 41 THR OG1 : rot 180:sc= 0.0428 USER MOD Set 2.4: A 57 GLN : amide:sc= -2.04 K(o=-1.7,f=-4.3!) USER MOD Set 2.5: A 81 THR OG1 : rot -42:sc= 0.528 USER MOD Set 3.1: A 21 ASN : amide:sc= -1.27 K(o=-2.7,f=0.16) USER MOD Set 3.2: A 25 GLN : amide:sc= -1.39 K(o=-2.7,f=-0.016) USER MOD Set 4.1: A 12 SER OG : rot 99:sc= 0.0278 USER MOD Set 4.2: A 14 SER OG : rot 180:sc=-0.00223 USER MOD Set 4.3: A 15 GLN : amide:sc= -0.194 K(o=-0.17,f=0.73) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -115:sc= 0.998 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Single : A 11 TYR OH : rot -41:sc= 0.239 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0465 K(o=-0.047,f=-1.9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 85:sc= 1.99 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.0115 USER MOD Single : A 40 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.428 K(o=0.43,f=-0.2) USER MOD Single : A 44 ASN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -150:sc= 0.0026 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00847 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.232 X(o=0.23,f=-0.16) USER MOD Single : A 82 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.2) USER MOD Single : A 85 TYR OH : rot 120:sc= -0.702 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-7.9!) USER MOD Single : A 92 THR OG1 : rot 130:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.482 11.750 -4.895 1.00 0.00 N ATOM 16 CA SER A 2 6.929 11.836 -5.018 1.00 0.00 C ATOM 17 C SER A 2 7.361 13.241 -4.604 1.00 0.00 C ATOM 18 O SER A 2 6.640 14.202 -4.871 1.00 0.00 O ATOM 19 CB SER A 2 7.332 11.545 -6.468 1.00 0.00 C ATOM 20 OG SER A 2 8.735 11.619 -6.606 1.00 0.00 O ATOM 0 HA SER A 2 7.418 11.105 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.982 10.555 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.855 12.261 -7.137 1.00 0.00 H new ATOM 0 HG SER A 2 8.983 11.430 -7.535 1.00 0.00 H new ATOM 26 N ALA A 3 8.524 13.360 -3.945 1.00 0.00 N ATOM 27 CA ALA A 3 9.067 14.641 -3.506 1.00 0.00 C ATOM 28 C ALA A 3 9.157 15.581 -4.705 1.00 0.00 C ATOM 29 O ALA A 3 9.647 15.182 -5.761 1.00 0.00 O ATOM 30 CB ALA A 3 10.424 14.442 -2.829 1.00 0.00 C ATOM 0 H ALA A 3 9.112 12.562 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 3 8.407 15.092 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.815 15.407 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.306 13.791 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.119 13.985 -3.534 1.00 0.00 H new ATOM 36 N THR A 4 8.679 16.821 -4.533 1.00 0.00 N ATOM 37 CA THR A 4 8.651 17.814 -5.593 1.00 0.00 C ATOM 38 C THR A 4 9.184 19.175 -5.139 1.00 0.00 C ATOM 39 O THR A 4 8.972 19.586 -4.000 1.00 0.00 O ATOM 40 CB THR A 4 7.216 17.883 -6.144 1.00 0.00 C ATOM 41 OG1 THR A 4 7.220 18.622 -7.333 1.00 0.00 O ATOM 42 CG2 THR A 4 6.194 18.536 -5.211 1.00 0.00 C ATOM 0 H THR A 4 8.301 17.156 -3.647 1.00 0.00 H new ATOM 0 HA THR A 4 9.328 17.514 -6.393 1.00 0.00 H new ATOM 0 HB THR A 4 6.911 16.845 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.698 19.442 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.214 18.537 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.142 17.975 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.496 19.562 -5.001 1.00 0.00 H new ATOM 50 N THR A 5 9.890 19.852 -6.055 1.00 0.00 N ATOM 51 CA THR A 5 10.480 21.171 -5.876 1.00 0.00 C ATOM 52 C THR A 5 9.804 22.128 -6.841 1.00 0.00 C ATOM 53 O THR A 5 9.904 21.965 -8.057 1.00 0.00 O ATOM 54 CB THR A 5 11.996 21.159 -6.117 1.00 0.00 C ATOM 55 OG1 THR A 5 12.376 20.149 -7.032 1.00 0.00 O ATOM 56 CG2 THR A 5 12.699 20.985 -4.777 1.00 0.00 C ATOM 0 H THR A 5 10.070 19.470 -6.983 1.00 0.00 H new ATOM 0 HA THR A 5 10.326 21.490 -4.845 1.00 0.00 H new ATOM 0 HB THR A 5 12.293 22.106 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.347 20.173 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.778 20.974 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.435 21.812 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.388 20.044 -4.322 1.00 0.00 H new ATOM 64 N CYS A 6 9.131 23.129 -6.268 1.00 0.00 N ATOM 65 CA CYS A 6 8.388 24.148 -6.986 1.00 0.00 C ATOM 66 C CYS A 6 9.204 25.439 -6.978 1.00 0.00 C ATOM 67 O CYS A 6 8.930 26.355 -6.203 1.00 0.00 O ATOM 68 CB CYS A 6 7.007 24.296 -6.330 1.00 0.00 C ATOM 69 SG CYS A 6 5.704 23.127 -6.839 1.00 0.00 S ATOM 0 H CYS A 6 9.092 23.250 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 6 8.222 23.879 -8.029 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.136 24.207 -5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.648 25.306 -6.526 1.00 0.00 H new ATOM 74 N GLY A 7 10.218 25.488 -7.854 1.00 0.00 N ATOM 75 CA GLY A 7 11.109 26.627 -8.018 1.00 0.00 C ATOM 76 C GLY A 7 12.213 26.637 -6.964 1.00 0.00 C ATOM 77 O GLY A 7 13.395 26.641 -7.300 1.00 0.00 O ATOM 0 H GLY A 7 10.440 24.714 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.555 26.600 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.534 27.551 -7.952 1.00 0.00 H new ATOM 81 N SER A 8 11.810 26.654 -5.688 1.00 0.00 N ATOM 82 CA SER A 8 12.696 26.679 -4.534 1.00 0.00 C ATOM 83 C SER A 8 12.037 25.994 -3.336 1.00 0.00 C ATOM 84 O SER A 8 12.706 25.246 -2.624 1.00 0.00 O ATOM 85 CB SER A 8 13.073 28.128 -4.204 1.00 0.00 C ATOM 86 OG SER A 8 13.977 28.162 -3.121 1.00 0.00 O ATOM 0 H SER A 8 10.823 26.650 -5.429 1.00 0.00 H new ATOM 0 HA SER A 8 13.607 26.128 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.522 28.602 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.177 28.697 -3.957 1.00 0.00 H new ATOM 0 HG SER A 8 14.212 29.092 -2.920 1.00 0.00 H new ATOM 92 N THR A 9 10.738 26.247 -3.109 1.00 0.00 N ATOM 93 CA THR A 9 9.998 25.670 -1.997 1.00 0.00 C ATOM 94 C THR A 9 9.859 24.159 -2.221 1.00 0.00 C ATOM 95 O THR A 9 9.195 23.709 -3.154 1.00 0.00 O ATOM 96 CB THR A 9 8.683 26.454 -1.765 1.00 0.00 C ATOM 97 OG1 THR A 9 8.792 27.179 -0.556 1.00 0.00 O ATOM 98 CG2 THR A 9 7.399 25.622 -1.692 1.00 0.00 C ATOM 0 H THR A 9 10.178 26.861 -3.700 1.00 0.00 H new ATOM 0 HA THR A 9 10.533 25.772 -1.053 1.00 0.00 H new ATOM 0 HB THR A 9 8.580 27.084 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.965 27.681 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.547 26.282 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.263 25.080 -2.628 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.472 24.911 -0.869 1.00 0.00 H new ATOM 106 N ASN A 10 10.518 23.391 -1.346 1.00 0.00 N ATOM 107 CA ASN A 10 10.561 21.939 -1.361 1.00 0.00 C ATOM 108 C ASN A 10 9.323 21.338 -0.698 1.00 0.00 C ATOM 109 O ASN A 10 8.679 21.976 0.133 1.00 0.00 O ATOM 110 CB ASN A 10 11.846 21.492 -0.646 1.00 0.00 C ATOM 111 CG ASN A 10 12.034 19.976 -0.665 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.441 19.412 -1.677 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.738 19.314 0.456 1.00 0.00 N ATOM 0 H ASN A 10 11.057 23.790 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 10 10.566 21.582 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.705 21.967 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.821 21.838 0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.847 18.301 0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.403 19.822 1.275 1.00 0.00 H new ATOM 120 N TYR A 11 9.000 20.102 -1.095 1.00 0.00 N ATOM 121 CA TYR A 11 7.882 19.329 -0.588 1.00 0.00 C ATOM 122 C TYR A 11 8.232 17.841 -0.653 1.00 0.00 C ATOM 123 O TYR A 11 8.846 17.390 -1.618 1.00 0.00 O ATOM 124 CB TYR A 11 6.645 19.550 -1.465 1.00 0.00 C ATOM 125 CG TYR A 11 6.052 20.941 -1.530 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.478 21.528 -0.386 1.00 0.00 C ATOM 127 CD2 TYR A 11 6.063 21.652 -2.744 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.912 22.813 -0.462 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.495 22.932 -2.820 1.00 0.00 C ATOM 130 CZ TYR A 11 4.907 23.509 -1.684 1.00 0.00 C ATOM 131 OH TYR A 11 4.347 24.748 -1.775 1.00 0.00 O ATOM 0 H TYR A 11 9.536 19.602 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 11 7.678 19.643 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.900 19.249 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.865 18.872 -1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.472 20.991 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.511 21.210 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.481 23.266 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.510 23.474 -3.754 1.00 0.00 H new ATOM 0 HH TYR A 11 3.511 24.767 -1.264 1.00 0.00 H new ATOM 141 N SER A 12 7.845 17.089 0.383 1.00 0.00 N ATOM 142 CA SER A 12 8.041 15.649 0.486 1.00 0.00 C ATOM 143 C SER A 12 6.946 14.959 -0.294 1.00 0.00 C ATOM 144 O SER A 12 5.913 15.559 -0.580 1.00 0.00 O ATOM 145 CB SER A 12 8.036 15.218 1.951 1.00 0.00 C ATOM 146 OG SER A 12 9.073 15.875 2.650 1.00 0.00 O ATOM 0 H SER A 12 7.372 17.484 1.196 1.00 0.00 H new ATOM 0 HA SER A 12 9.008 15.369 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.074 15.454 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.166 14.138 2.022 1.00 0.00 H new ATOM 0 HG SER A 12 8.706 16.647 3.129 1.00 0.00 H new ATOM 152 N ALA A 13 7.190 13.692 -0.651 1.00 0.00 N ATOM 153 CA ALA A 13 6.205 12.884 -1.344 1.00 0.00 C ATOM 154 C ALA A 13 4.948 12.843 -0.474 1.00 0.00 C ATOM 155 O ALA A 13 3.850 12.627 -0.981 1.00 0.00 O ATOM 156 CB ALA A 13 6.750 11.467 -1.532 1.00 0.00 C ATOM 0 H ALA A 13 8.070 13.211 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 13 5.979 13.304 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.010 10.859 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.667 11.505 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.961 11.026 -0.558 1.00 0.00 H new ATOM 162 N SER A 14 5.131 13.073 0.837 1.00 0.00 N ATOM 163 CA SER A 14 4.040 13.047 1.800 1.00 0.00 C ATOM 164 C SER A 14 3.228 14.346 1.719 1.00 0.00 C ATOM 165 O SER A 14 2.025 14.321 1.960 1.00 0.00 O ATOM 166 CB SER A 14 4.565 12.769 3.214 1.00 0.00 C ATOM 167 OG SER A 14 5.594 13.661 3.576 1.00 0.00 O ATOM 0 H SER A 14 6.041 13.281 1.249 1.00 0.00 H new ATOM 0 HA SER A 14 3.366 12.228 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.746 12.850 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.935 11.745 3.269 1.00 0.00 H new ATOM 0 HG SER A 14 5.902 13.454 4.483 1.00 0.00 H new ATOM 173 N GLN A 15 3.873 15.470 1.371 1.00 0.00 N ATOM 174 CA GLN A 15 3.228 16.770 1.237 1.00 0.00 C ATOM 175 C GLN A 15 2.339 16.828 0.002 1.00 0.00 C ATOM 176 O GLN A 15 1.244 17.397 0.057 1.00 0.00 O ATOM 177 CB GLN A 15 4.250 17.919 1.217 1.00 0.00 C ATOM 178 CG GLN A 15 4.619 18.459 2.604 1.00 0.00 C ATOM 179 CD GLN A 15 5.482 17.505 3.421 1.00 0.00 C ATOM 180 OE1 GLN A 15 6.690 17.706 3.533 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.865 16.474 4.003 1.00 0.00 N ATOM 0 H GLN A 15 4.873 15.494 1.173 1.00 0.00 H new ATOM 0 HA GLN A 15 2.599 16.898 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.157 17.574 0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.849 18.736 0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.148 19.405 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.704 18.672 3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.860 16.347 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.398 15.814 4.568 1.00 0.00 H new ATOM 190 N VAL A 16 2.797 16.231 -1.102 1.00 0.00 N ATOM 191 CA VAL A 16 2.050 16.237 -2.337 1.00 0.00 C ATOM 192 C VAL A 16 0.836 15.331 -2.108 1.00 0.00 C ATOM 193 O VAL A 16 -0.256 15.648 -2.568 1.00 0.00 O ATOM 194 CB VAL A 16 2.922 15.788 -3.520 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.455 16.489 -4.795 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.412 16.098 -3.365 1.00 0.00 C ATOM 0 H VAL A 16 3.688 15.738 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 16 1.719 17.241 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 16 2.807 14.705 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.074 16.170 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.415 16.230 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.542 17.568 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.950 15.747 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.551 17.174 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.798 15.595 -2.479 1.00 0.00 H new ATOM 206 N ARG A 17 1.038 14.215 -1.382 1.00 0.00 N ATOM 207 CA ARG A 17 0.000 13.246 -1.047 1.00 0.00 C ATOM 208 C ARG A 17 -0.979 13.780 -0.008 1.00 0.00 C ATOM 209 O ARG A 17 -2.113 13.307 0.041 1.00 0.00 O ATOM 210 CB ARG A 17 0.631 11.909 -0.639 1.00 0.00 C ATOM 211 CG ARG A 17 -0.260 10.733 -1.055 1.00 0.00 C ATOM 212 CD ARG A 17 0.428 9.391 -0.776 1.00 0.00 C ATOM 213 NE ARG A 17 0.124 8.891 0.570 1.00 0.00 N ATOM 214 CZ ARG A 17 0.328 7.626 0.979 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.898 6.717 0.172 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.046 7.265 2.213 1.00 0.00 N ATOM 0 H ARG A 17 1.953 13.964 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.598 13.068 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.612 11.809 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.785 11.889 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.205 10.780 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.496 10.810 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.108 8.658 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.506 9.506 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.270 9.549 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.185 6.981 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.044 5.763 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.482 7.947 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.105 6.308 2.532 1.00 0.00 H new ATOM 230 N ALA A 18 -0.563 14.746 0.820 1.00 0.00 N ATOM 231 CA ALA A 18 -1.440 15.335 1.815 1.00 0.00 C ATOM 232 C ALA A 18 -2.496 16.134 1.059 1.00 0.00 C ATOM 233 O ALA A 18 -3.691 15.858 1.192 1.00 0.00 O ATOM 234 CB ALA A 18 -0.645 16.202 2.796 1.00 0.00 C ATOM 0 H ALA A 18 0.381 15.131 0.813 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.923 14.568 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.323 16.633 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.099 15.588 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.145 17.003 2.251 1.00 0.00 H new ATOM 240 N ALA A 19 -2.057 17.112 0.249 1.00 0.00 N ATOM 241 CA ALA A 19 -3.006 17.906 -0.515 1.00 0.00 C ATOM 242 C ALA A 19 -3.666 17.069 -1.612 1.00 0.00 C ATOM 243 O ALA A 19 -4.755 17.423 -2.035 1.00 0.00 O ATOM 244 CB ALA A 19 -2.417 19.209 -1.069 1.00 0.00 C ATOM 0 H ALA A 19 -1.077 17.360 0.115 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.777 18.216 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.184 19.747 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.066 19.829 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.582 18.978 -1.730 1.00 0.00 H new ATOM 250 N ALA A 20 -3.064 15.969 -2.090 1.00 0.00 N ATOM 251 CA ALA A 20 -3.722 15.170 -3.122 1.00 0.00 C ATOM 252 C ALA A 20 -4.861 14.355 -2.544 1.00 0.00 C ATOM 253 O ALA A 20 -5.934 14.282 -3.144 1.00 0.00 O ATOM 254 CB ALA A 20 -2.738 14.335 -3.943 1.00 0.00 C ATOM 0 H ALA A 20 -2.153 15.625 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.164 15.866 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.284 13.763 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.025 14.995 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.203 13.651 -3.284 1.00 0.00 H new ATOM 260 N ASN A 21 -4.634 13.739 -1.384 1.00 0.00 N ATOM 261 CA ASN A 21 -5.676 12.988 -0.714 1.00 0.00 C ATOM 262 C ASN A 21 -6.753 13.987 -0.257 1.00 0.00 C ATOM 263 O ASN A 21 -7.906 13.601 -0.052 1.00 0.00 O ATOM 264 CB ASN A 21 -5.062 12.224 0.465 1.00 0.00 C ATOM 265 CG ASN A 21 -6.094 11.397 1.223 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.249 11.550 2.433 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.804 10.516 0.511 1.00 0.00 N ATOM 0 H ASN A 21 -3.738 13.750 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.136 12.254 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.273 11.567 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.594 12.932 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.507 9.938 0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.642 10.422 -0.492 1.00 0.00 H new ATOM 274 N ALA A 22 -6.383 15.276 -0.124 1.00 0.00 N ATOM 275 CA ALA A 22 -7.310 16.305 0.328 1.00 0.00 C ATOM 276 C ALA A 22 -8.176 16.604 -0.886 1.00 0.00 C ATOM 277 O ALA A 22 -9.378 16.369 -0.840 1.00 0.00 O ATOM 278 CB ALA A 22 -6.563 17.524 0.864 1.00 0.00 C ATOM 0 H ALA A 22 -5.444 15.619 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.927 15.985 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.281 18.275 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.937 17.226 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.937 17.942 0.076 1.00 0.00 H new ATOM 284 N ALA A 23 -7.543 17.133 -1.942 1.00 0.00 N ATOM 285 CA ALA A 23 -8.133 17.430 -3.247 1.00 0.00 C ATOM 286 C ALA A 23 -9.198 16.398 -3.621 1.00 0.00 C ATOM 287 O ALA A 23 -10.320 16.765 -3.948 1.00 0.00 O ATOM 288 CB ALA A 23 -7.062 17.362 -4.347 1.00 0.00 C ATOM 0 H ALA A 23 -6.553 17.377 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.569 18.426 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.517 17.585 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.279 18.091 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.630 16.362 -4.373 1.00 0.00 H new ATOM 294 N CYS A 24 -8.828 15.112 -3.571 1.00 0.00 N ATOM 295 CA CYS A 24 -9.686 13.978 -3.875 1.00 0.00 C ATOM 296 C CYS A 24 -10.936 13.989 -2.997 1.00 0.00 C ATOM 297 O CYS A 24 -12.047 13.945 -3.519 1.00 0.00 O ATOM 298 CB CYS A 24 -8.869 12.688 -3.717 1.00 0.00 C ATOM 299 SG CYS A 24 -9.808 11.137 -3.787 1.00 0.00 S ATOM 0 H CYS A 24 -7.884 14.830 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.039 14.040 -4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.109 12.665 -4.498 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.344 12.729 -2.763 1.00 0.00 H new ATOM 304 N GLN A 25 -10.759 14.061 -1.671 1.00 0.00 N ATOM 305 CA GLN A 25 -11.874 14.061 -0.729 1.00 0.00 C ATOM 306 C GLN A 25 -12.665 15.378 -0.681 1.00 0.00 C ATOM 307 O GLN A 25 -13.754 15.396 -0.107 1.00 0.00 O ATOM 308 CB GLN A 25 -11.378 13.675 0.667 1.00 0.00 C ATOM 309 CG GLN A 25 -10.946 12.205 0.694 1.00 0.00 C ATOM 310 CD GLN A 25 -10.504 11.784 2.091 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.243 11.944 3.060 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.296 11.235 2.192 1.00 0.00 N ATOM 0 H GLN A 25 -9.842 14.120 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.580 13.316 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.540 14.312 0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.168 13.842 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.773 11.575 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.129 12.051 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.716 11.122 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.950 10.928 3.101 1.00 0.00 H new ATOM 321 N TYR A 26 -12.151 16.466 -1.274 1.00 0.00 N ATOM 322 CA TYR A 26 -12.798 17.776 -1.273 1.00 0.00 C ATOM 323 C TYR A 26 -13.367 18.207 -2.622 1.00 0.00 C ATOM 324 O TYR A 26 -14.222 19.083 -2.628 1.00 0.00 O ATOM 325 CB TYR A 26 -11.796 18.854 -0.824 1.00 0.00 C ATOM 326 CG TYR A 26 -11.493 18.926 0.661 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.534 19.071 1.599 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.161 18.863 1.108 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.241 19.150 2.972 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.868 18.941 2.480 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.908 19.084 3.414 1.00 0.00 C ATOM 332 OH TYR A 26 -10.624 19.167 4.747 1.00 0.00 O ATOM 0 H TYR A 26 -11.262 16.455 -1.773 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.636 17.676 -0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.858 18.689 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.176 19.825 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.559 19.122 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.359 18.754 0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.041 19.262 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.843 18.891 2.817 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.655 19.103 4.880 1.00 0.00 H new ATOM 342 N TYR A 27 -12.945 17.630 -3.753 1.00 0.00 N ATOM 343 CA TYR A 27 -13.430 18.049 -5.062 1.00 0.00 C ATOM 344 C TYR A 27 -14.794 17.446 -5.410 1.00 0.00 C ATOM 345 O TYR A 27 -15.736 18.206 -5.628 1.00 0.00 O ATOM 346 CB TYR A 27 -12.335 17.854 -6.129 1.00 0.00 C ATOM 347 CG TYR A 27 -12.839 17.901 -7.558 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.538 19.024 -8.055 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.614 16.788 -8.391 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.023 19.013 -9.374 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.093 16.792 -9.708 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.810 17.893 -10.198 1.00 0.00 C ATOM 353 OH TYR A 27 -14.289 17.872 -11.476 1.00 0.00 O ATOM 0 H TYR A 27 -12.266 16.869 -3.782 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.632 19.120 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.576 18.625 -5.999 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.847 16.894 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.699 19.886 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.073 15.932 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.561 19.868 -9.756 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.909 15.943 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.050 17.022 -11.901 1.00 0.00 H new ATOM 363 N GLN A 28 -14.921 16.111 -5.455 1.00 0.00 N ATOM 364 CA GLN A 28 -16.179 15.445 -5.804 1.00 0.00 C ATOM 365 C GLN A 28 -16.381 14.161 -5.000 1.00 0.00 C ATOM 366 O GLN A 28 -16.648 13.102 -5.568 1.00 0.00 O ATOM 367 CB GLN A 28 -16.258 15.174 -7.317 1.00 0.00 C ATOM 368 CG GLN A 28 -16.397 16.467 -8.123 1.00 0.00 C ATOM 369 CD GLN A 28 -16.622 16.202 -9.611 1.00 0.00 C ATOM 370 OE1 GLN A 28 -16.240 15.154 -10.127 1.00 0.00 O ATOM 371 NE2 GLN A 28 -17.246 17.157 -10.309 1.00 0.00 N ATOM 0 H GLN A 28 -14.156 15.468 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.992 16.122 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.363 14.641 -7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.108 14.524 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.230 17.050 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.498 17.070 -7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.548 18.013 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.420 17.029 -11.306 1.00 0.00 H new ATOM 380 N ASN A 29 -16.260 14.272 -3.673 1.00 0.00 N ATOM 381 CA ASN A 29 -16.440 13.175 -2.729 1.00 0.00 C ATOM 382 C ASN A 29 -17.296 13.664 -1.562 1.00 0.00 C ATOM 383 O ASN A 29 -18.314 13.052 -1.245 1.00 0.00 O ATOM 384 CB ASN A 29 -15.090 12.682 -2.192 1.00 0.00 C ATOM 385 CG ASN A 29 -14.259 11.847 -3.170 1.00 0.00 C ATOM 386 OD1 ASN A 29 -14.495 11.843 -4.374 1.00 0.00 O ATOM 387 ND2 ASN A 29 -13.263 11.127 -2.646 1.00 0.00 N ATOM 0 H ASN A 29 -16.027 15.155 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.928 12.347 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.501 13.548 -1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.270 12.088 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.675 10.554 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.091 11.150 -1.641 1.00 0.00 H new ATOM 394 N ASP A 30 -16.879 14.774 -0.934 1.00 0.00 N ATOM 395 CA ASP A 30 -17.544 15.381 0.208 1.00 0.00 C ATOM 396 C ASP A 30 -17.528 16.892 -0.008 1.00 0.00 C ATOM 397 O ASP A 30 -16.621 17.580 0.460 1.00 0.00 O ATOM 398 CB ASP A 30 -16.837 14.978 1.515 1.00 0.00 C ATOM 399 CG ASP A 30 -16.535 13.481 1.586 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.510 12.701 1.663 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.330 13.144 1.551 1.00 0.00 O ATOM 0 H ASP A 30 -16.043 15.282 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.574 15.036 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.906 15.537 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.462 15.259 2.363 1.00 0.00 H new ATOM 406 N ASP A 31 -18.535 17.395 -0.735 1.00 0.00 N ATOM 407 CA ASP A 31 -18.700 18.809 -1.066 1.00 0.00 C ATOM 408 C ASP A 31 -17.598 19.259 -2.031 1.00 0.00 C ATOM 409 O ASP A 31 -16.889 18.428 -2.595 1.00 0.00 O ATOM 410 CB ASP A 31 -18.780 19.678 0.206 1.00 0.00 C ATOM 411 CG ASP A 31 -19.814 19.152 1.198 1.00 0.00 C ATOM 412 OD1 ASP A 31 -21.000 19.506 1.022 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.406 18.405 2.115 1.00 0.00 O ATOM 0 H ASP A 31 -19.277 16.809 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.652 18.944 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.802 19.709 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.032 20.702 -0.070 1.00 0.00 H new ATOM 418 N THR A 32 -17.475 20.577 -2.223 1.00 0.00 N ATOM 419 CA THR A 32 -16.478 21.212 -3.077 1.00 0.00 C ATOM 420 C THR A 32 -15.412 21.903 -2.216 1.00 0.00 C ATOM 421 O THR A 32 -14.229 21.836 -2.542 1.00 0.00 O ATOM 422 CB THR A 32 -17.143 22.188 -4.053 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.793 23.235 -3.359 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.136 21.467 -4.968 1.00 0.00 C ATOM 0 H THR A 32 -18.092 21.251 -1.769 1.00 0.00 H new ATOM 0 HA THR A 32 -15.982 20.447 -3.675 1.00 0.00 H new ATOM 0 HB THR A 32 -16.355 22.618 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.208 23.846 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.591 22.186 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.612 20.704 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.912 20.997 -4.364 1.00 0.00 H new ATOM 432 N ALA A 33 -15.845 22.567 -1.132 1.00 0.00 N ATOM 433 CA ALA A 33 -15.018 23.276 -0.160 1.00 0.00 C ATOM 434 C ALA A 33 -14.052 24.277 -0.801 1.00 0.00 C ATOM 435 O ALA A 33 -12.954 23.917 -1.224 1.00 0.00 O ATOM 436 CB ALA A 33 -14.293 22.285 0.753 1.00 0.00 C ATOM 0 H ALA A 33 -16.838 22.623 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.692 23.877 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.682 22.832 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.025 21.680 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.655 21.637 0.152 1.00 0.00 H new ATOM 442 N GLY A 34 -14.479 25.542 -0.853 1.00 0.00 N ATOM 443 CA GLY A 34 -13.725 26.650 -1.416 1.00 0.00 C ATOM 444 C GLY A 34 -14.334 27.086 -2.741 1.00 0.00 C ATOM 445 O GLY A 34 -15.279 27.874 -2.741 1.00 0.00 O ATOM 0 H GLY A 34 -15.390 25.825 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.720 27.487 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.687 26.353 -1.566 1.00 0.00 H new ATOM 449 N SER A 35 -13.794 26.574 -3.856 1.00 0.00 N ATOM 450 CA SER A 35 -14.236 26.894 -5.207 1.00 0.00 C ATOM 451 C SER A 35 -14.208 28.405 -5.424 1.00 0.00 C ATOM 452 O SER A 35 -15.264 29.018 -5.587 1.00 0.00 O ATOM 453 CB SER A 35 -15.615 26.286 -5.502 1.00 0.00 C ATOM 454 OG SER A 35 -15.569 24.887 -5.365 1.00 0.00 O ATOM 0 H SER A 35 -13.020 25.911 -3.835 1.00 0.00 H new ATOM 0 HA SER A 35 -13.544 26.445 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.357 26.701 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.928 26.550 -6.512 1.00 0.00 H new ATOM 0 HG SER A 35 -16.323 24.486 -5.846 1.00 0.00 H new ATOM 460 N SER A 36 -13.009 29.007 -5.442 1.00 0.00 N ATOM 461 CA SER A 36 -12.855 30.442 -5.653 1.00 0.00 C ATOM 462 C SER A 36 -12.162 30.498 -6.998 1.00 0.00 C ATOM 463 O SER A 36 -12.627 31.125 -7.948 1.00 0.00 O ATOM 464 CB SER A 36 -12.024 31.058 -4.521 1.00 0.00 C ATOM 465 OG SER A 36 -11.753 32.413 -4.808 1.00 0.00 O ATOM 0 H SER A 36 -12.128 28.510 -5.311 1.00 0.00 H new ATOM 0 HA SER A 36 -13.786 31.009 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.563 30.978 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.090 30.508 -4.403 1.00 0.00 H new ATOM 0 HG SER A 36 -11.223 32.802 -4.081 1.00 0.00 H new ATOM 471 N THR A 37 -11.029 29.802 -7.015 1.00 0.00 N ATOM 472 CA THR A 37 -10.151 29.587 -8.126 1.00 0.00 C ATOM 473 C THR A 37 -10.076 28.071 -8.368 1.00 0.00 C ATOM 474 O THR A 37 -9.923 27.702 -9.526 1.00 0.00 O ATOM 475 CB THR A 37 -8.793 30.241 -7.838 1.00 0.00 C ATOM 476 OG1 THR A 37 -8.324 29.868 -6.558 1.00 0.00 O ATOM 477 CG2 THR A 37 -8.889 31.768 -7.902 1.00 0.00 C ATOM 0 H THR A 37 -10.686 29.341 -6.172 1.00 0.00 H new ATOM 0 HA THR A 37 -10.515 30.053 -9.042 1.00 0.00 H new ATOM 0 HB THR A 37 -8.097 29.894 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.849 29.013 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.912 32.203 -7.694 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.216 32.071 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.608 32.119 -7.161 1.00 0.00 H new ATOM 485 N TYR A 38 -10.193 27.205 -7.327 1.00 0.00 N ATOM 486 CA TYR A 38 -10.120 25.723 -7.375 1.00 0.00 C ATOM 487 C TYR A 38 -10.997 25.122 -6.286 1.00 0.00 C ATOM 488 O TYR A 38 -11.233 25.769 -5.266 1.00 0.00 O ATOM 489 CB TYR A 38 -8.661 25.247 -7.163 1.00 0.00 C ATOM 490 CG TYR A 38 -7.728 26.278 -7.720 1.00 0.00 C ATOM 491 CD1 TYR A 38 -7.638 26.420 -9.107 1.00 0.00 C ATOM 492 CD2 TYR A 38 -6.985 27.103 -6.870 1.00 0.00 C ATOM 493 CE1 TYR A 38 -6.819 27.406 -9.654 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.159 28.086 -7.416 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.068 28.245 -8.813 1.00 0.00 C ATOM 496 OH TYR A 38 -5.257 29.203 -9.348 1.00 0.00 O ATOM 0 H TYR A 38 -10.350 27.544 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.470 25.395 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.465 25.095 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.502 24.288 -7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.203 25.766 -9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.050 26.980 -5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.761 27.526 -10.726 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.586 28.729 -6.764 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.811 29.694 -8.627 1.00 0.00 H new ATOM 506 N PRO A 39 -11.471 23.882 -6.479 1.00 0.00 N ATOM 507 CA PRO A 39 -11.208 23.005 -7.620 1.00 0.00 C ATOM 508 C PRO A 39 -12.006 23.367 -8.889 1.00 0.00 C ATOM 509 O PRO A 39 -13.236 23.345 -8.873 1.00 0.00 O ATOM 510 CB PRO A 39 -11.572 21.619 -7.101 1.00 0.00 C ATOM 511 CG PRO A 39 -12.735 21.909 -6.148 1.00 0.00 C ATOM 512 CD PRO A 39 -12.322 23.226 -5.507 1.00 0.00 C ATOM 0 HA PRO A 39 -10.172 23.088 -7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.868 20.949 -7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.735 21.147 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.682 21.997 -6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.858 21.119 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.193 23.838 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.790 23.057 -4.571 1.00 0.00 H new ATOM 520 N HIS A 40 -11.298 23.688 -9.990 1.00 0.00 N ATOM 521 CA HIS A 40 -11.855 24.074 -11.289 1.00 0.00 C ATOM 522 C HIS A 40 -11.254 23.223 -12.410 1.00 0.00 C ATOM 523 O HIS A 40 -10.175 22.650 -12.259 1.00 0.00 O ATOM 524 CB HIS A 40 -11.499 25.524 -11.641 1.00 0.00 C ATOM 525 CG HIS A 40 -12.119 26.642 -10.851 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.142 27.930 -11.360 1.00 0.00 N ATOM 527 CD2 HIS A 40 -12.722 26.733 -9.620 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.725 28.714 -10.443 1.00 0.00 C ATOM 529 NE2 HIS A 40 -13.115 28.042 -9.357 1.00 0.00 N ATOM 0 H HIS A 40 -10.278 23.683 -9.992 1.00 0.00 H new ATOM 0 HA HIS A 40 -12.934 23.939 -11.208 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.417 25.625 -11.560 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.756 25.680 -12.689 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.871 25.901 -8.947 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.865 29.777 -10.569 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.589 28.403 -8.529 1.00 0.00 H new ATOM 537 N THR A 41 -11.972 23.163 -13.540 1.00 0.00 N ATOM 538 CA THR A 41 -11.627 22.459 -14.752 1.00 0.00 C ATOM 539 C THR A 41 -10.307 22.986 -15.307 1.00 0.00 C ATOM 540 O THR A 41 -10.101 24.199 -15.339 1.00 0.00 O ATOM 541 CB THR A 41 -12.776 22.717 -15.733 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.026 22.500 -15.108 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.667 21.777 -16.919 1.00 0.00 C ATOM 0 H THR A 41 -12.868 23.643 -13.622 1.00 0.00 H new ATOM 0 HA THR A 41 -11.495 21.391 -14.577 1.00 0.00 H new ATOM 0 HB THR A 41 -12.707 23.753 -16.064 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.747 22.671 -15.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.488 21.967 -17.611 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.717 21.942 -17.428 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.718 20.745 -16.571 1.00 0.00 H new ATOM 551 N TYR A 42 -9.415 22.081 -15.732 1.00 0.00 N ATOM 552 CA TYR A 42 -8.131 22.464 -16.300 1.00 0.00 C ATOM 553 C TYR A 42 -7.864 21.621 -17.540 1.00 0.00 C ATOM 554 O TYR A 42 -6.878 20.892 -17.608 1.00 0.00 O ATOM 555 CB TYR A 42 -7.076 22.323 -15.199 1.00 0.00 C ATOM 556 CG TYR A 42 -5.710 22.951 -15.421 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.567 24.210 -16.039 1.00 0.00 C ATOM 558 CD2 TYR A 42 -4.563 22.265 -14.984 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.289 24.770 -16.215 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.286 22.823 -15.162 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.147 24.078 -15.776 1.00 0.00 C ATOM 562 OH TYR A 42 -1.907 24.628 -15.941 1.00 0.00 O ATOM 0 H TYR A 42 -9.568 21.073 -15.689 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.110 23.501 -16.637 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.492 22.747 -14.285 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.926 21.259 -15.017 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.441 24.746 -16.378 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.665 21.301 -14.508 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.185 25.735 -16.689 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.411 22.286 -14.826 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.229 24.019 -15.581 1.00 0.00 H new ATOM 572 N ASN A 43 -8.760 21.747 -18.526 1.00 0.00 N ATOM 573 CA ASN A 43 -8.715 21.025 -19.788 1.00 0.00 C ATOM 574 C ASN A 43 -9.606 21.744 -20.809 1.00 0.00 C ATOM 575 O ASN A 43 -10.538 21.161 -21.358 1.00 0.00 O ATOM 576 CB ASN A 43 -9.100 19.551 -19.556 1.00 0.00 C ATOM 577 CG ASN A 43 -10.290 19.367 -18.610 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.118 18.933 -17.473 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.499 19.694 -19.074 1.00 0.00 N ATOM 0 H ASN A 43 -9.560 22.377 -18.458 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.706 21.015 -20.201 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.336 19.091 -20.516 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.239 19.019 -19.150 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.320 19.587 -18.478 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.601 20.051 -20.024 1.00 0.00 H new ATOM 586 N ASN A 44 -9.301 23.023 -21.066 1.00 0.00 N ATOM 587 CA ASN A 44 -10.032 23.861 -22.008 1.00 0.00 C ATOM 588 C ASN A 44 -9.754 23.409 -23.443 1.00 0.00 C ATOM 589 O ASN A 44 -10.673 22.995 -24.150 1.00 0.00 O ATOM 590 CB ASN A 44 -9.650 25.331 -21.780 1.00 0.00 C ATOM 591 CG ASN A 44 -10.399 26.276 -22.717 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.460 26.788 -22.366 1.00 0.00 O ATOM 593 ND2 ASN A 44 -9.843 26.519 -23.908 1.00 0.00 N ATOM 0 H ASN A 44 -8.525 23.507 -20.614 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.105 23.761 -21.843 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.863 25.603 -20.746 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.577 25.452 -21.927 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.301 27.151 -24.565 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.961 26.073 -24.160 1.00 0.00 H new ATOM 600 N TYR A 45 -8.486 23.503 -23.864 1.00 0.00 N ATOM 601 CA TYR A 45 -8.016 23.116 -25.184 1.00 0.00 C ATOM 602 C TYR A 45 -6.648 22.454 -25.027 1.00 0.00 C ATOM 603 O TYR A 45 -6.555 21.228 -25.023 1.00 0.00 O ATOM 604 CB TYR A 45 -7.979 24.348 -26.108 1.00 0.00 C ATOM 605 CG TYR A 45 -7.161 24.163 -27.376 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.565 23.230 -28.349 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.988 24.915 -27.576 1.00 0.00 C ATOM 608 CE1 TYR A 45 -6.800 23.052 -29.515 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.223 24.737 -28.741 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.626 23.802 -29.710 1.00 0.00 C ATOM 611 OH TYR A 45 -4.875 23.623 -30.836 1.00 0.00 O ATOM 0 H TYR A 45 -7.740 23.864 -23.269 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.692 22.399 -25.650 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.000 24.609 -26.385 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.574 25.192 -25.550 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.464 22.650 -28.200 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.675 25.632 -26.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.114 22.338 -30.262 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.326 25.318 -28.892 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.099 24.222 -30.811 1.00 0.00 H new ATOM 621 N GLU A 46 -5.593 23.269 -24.895 1.00 0.00 N ATOM 622 CA GLU A 46 -4.221 22.817 -24.749 1.00 0.00 C ATOM 623 C GLU A 46 -3.387 24.009 -24.282 1.00 0.00 C ATOM 624 O GLU A 46 -3.351 25.040 -24.955 1.00 0.00 O ATOM 625 CB GLU A 46 -3.697 22.260 -26.087 1.00 0.00 C ATOM 626 CG GLU A 46 -2.470 21.353 -25.910 1.00 0.00 C ATOM 627 CD GLU A 46 -1.251 22.075 -25.337 1.00 0.00 C ATOM 628 OE1 GLU A 46 -0.793 23.036 -25.992 1.00 0.00 O ATOM 629 OE2 GLU A 46 -0.797 21.654 -24.249 1.00 0.00 O ATOM 0 H GLU A 46 -5.682 24.285 -24.888 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.156 22.012 -24.017 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.491 21.698 -26.578 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.439 23.089 -26.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.733 20.525 -25.252 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.205 20.922 -26.875 1.00 0.00 H new ATOM 636 N GLY A 47 -2.733 23.863 -23.126 1.00 0.00 N ATOM 637 CA GLY A 47 -1.875 24.870 -22.530 1.00 0.00 C ATOM 638 C GLY A 47 -0.662 24.154 -21.954 1.00 0.00 C ATOM 639 O GLY A 47 0.428 24.229 -22.520 1.00 0.00 O ATOM 0 H GLY A 47 -2.793 23.011 -22.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.569 25.603 -23.276 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.407 25.413 -21.749 1.00 0.00 H new ATOM 643 N PHE A 48 -0.869 23.453 -20.830 1.00 0.00 N ATOM 644 CA PHE A 48 0.164 22.688 -20.145 1.00 0.00 C ATOM 645 C PHE A 48 0.085 21.220 -20.580 1.00 0.00 C ATOM 646 O PHE A 48 -0.858 20.829 -21.268 1.00 0.00 O ATOM 647 CB PHE A 48 0.020 22.858 -18.622 1.00 0.00 C ATOM 648 CG PHE A 48 1.345 23.118 -17.932 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.854 24.430 -17.889 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.073 22.065 -17.347 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.085 24.689 -17.266 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.308 22.323 -16.727 1.00 0.00 C ATOM 653 CZ PHE A 48 3.815 23.636 -16.690 1.00 0.00 C ATOM 0 H PHE A 48 -1.778 23.406 -20.369 1.00 0.00 H new ATOM 0 HA PHE A 48 1.152 23.060 -20.417 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.660 23.685 -18.416 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.433 21.960 -18.202 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.296 25.239 -18.336 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.683 21.058 -17.374 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.471 25.697 -17.230 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.867 21.515 -16.279 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.766 23.834 -16.218 1.00 0.00 H new ATOM 663 N ASP A 49 1.074 20.413 -20.173 1.00 0.00 N ATOM 664 CA ASP A 49 1.165 18.998 -20.508 1.00 0.00 C ATOM 665 C ASP A 49 1.368 18.146 -19.255 1.00 0.00 C ATOM 666 O ASP A 49 2.025 18.572 -18.304 1.00 0.00 O ATOM 667 CB ASP A 49 2.296 18.781 -21.523 1.00 0.00 C ATOM 668 CG ASP A 49 3.659 19.211 -20.980 1.00 0.00 C ATOM 669 OD1 ASP A 49 3.975 20.413 -21.117 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.362 18.331 -20.436 1.00 0.00 O ATOM 0 H ASP A 49 1.845 20.739 -19.590 1.00 0.00 H new ATOM 0 HA ASP A 49 0.225 18.681 -20.960 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.334 17.727 -21.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.077 19.342 -22.432 1.00 0.00 H new ATOM 675 N PHE A 50 0.798 16.934 -19.279 1.00 0.00 N ATOM 676 CA PHE A 50 0.845 15.948 -18.209 1.00 0.00 C ATOM 677 C PHE A 50 0.699 14.558 -18.833 1.00 0.00 C ATOM 678 O PHE A 50 0.129 14.441 -19.918 1.00 0.00 O ATOM 679 CB PHE A 50 -0.312 16.192 -17.227 1.00 0.00 C ATOM 680 CG PHE A 50 -0.273 17.528 -16.516 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.616 17.728 -15.443 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.117 18.573 -16.933 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.657 18.969 -14.786 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.071 19.816 -16.279 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.190 20.010 -15.202 1.00 0.00 C ATOM 0 H PHE A 50 0.268 16.606 -20.087 1.00 0.00 H new ATOM 0 HA PHE A 50 1.789 16.025 -17.669 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.253 16.113 -17.771 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.308 15.399 -16.479 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.267 16.927 -15.125 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.800 18.420 -17.755 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.339 19.123 -13.962 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.713 20.622 -16.604 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.164 20.962 -14.692 1.00 0.00 H new ATOM 695 N PRO A 51 1.197 13.494 -18.179 1.00 0.00 N ATOM 696 CA PRO A 51 1.085 12.131 -18.682 1.00 0.00 C ATOM 697 C PRO A 51 -0.380 11.684 -18.746 1.00 0.00 C ATOM 698 O PRO A 51 -0.744 10.914 -19.634 1.00 0.00 O ATOM 699 CB PRO A 51 1.912 11.271 -17.721 1.00 0.00 C ATOM 700 CG PRO A 51 1.868 12.064 -16.416 1.00 0.00 C ATOM 701 CD PRO A 51 1.918 13.507 -16.916 1.00 0.00 C ATOM 0 HA PRO A 51 1.457 12.041 -19.703 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.484 10.276 -17.602 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.934 11.138 -18.077 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.961 11.861 -15.846 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.711 11.828 -15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.453 14.188 -16.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.946 13.842 -17.052 1.00 0.00 H new ATOM 709 N VAL A 52 -1.220 12.169 -17.819 1.00 0.00 N ATOM 710 CA VAL A 52 -2.638 11.843 -17.768 1.00 0.00 C ATOM 711 C VAL A 52 -3.412 12.578 -18.865 1.00 0.00 C ATOM 712 O VAL A 52 -2.914 13.533 -19.462 1.00 0.00 O ATOM 713 CB VAL A 52 -3.228 12.146 -16.379 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.519 11.309 -15.308 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.172 13.639 -16.024 1.00 0.00 C ATOM 0 H VAL A 52 -0.922 12.805 -17.079 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.739 10.773 -17.947 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.282 11.872 -16.412 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.945 11.533 -14.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.651 10.250 -15.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.456 11.549 -15.304 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.601 13.794 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.135 13.975 -16.026 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.740 14.209 -16.759 1.00 0.00 H new ATOM 725 N ASP A 53 -4.644 12.117 -19.106 1.00 0.00 N ATOM 726 CA ASP A 53 -5.562 12.665 -20.091 1.00 0.00 C ATOM 727 C ASP A 53 -6.580 13.560 -19.386 1.00 0.00 C ATOM 728 O ASP A 53 -6.644 14.756 -19.669 1.00 0.00 O ATOM 729 CB ASP A 53 -6.239 11.514 -20.845 1.00 0.00 C ATOM 730 CG ASP A 53 -5.217 10.702 -21.641 1.00 0.00 C ATOM 731 OD1 ASP A 53 -4.641 9.766 -21.045 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.026 11.036 -22.831 1.00 0.00 O ATOM 0 H ASP A 53 -5.036 11.324 -18.599 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.026 13.274 -20.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.753 10.864 -20.137 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.997 11.913 -21.520 1.00 0.00 H new ATOM 737 N GLY A 54 -7.365 12.974 -18.471 1.00 0.00 N ATOM 738 CA GLY A 54 -8.382 13.661 -17.690 1.00 0.00 C ATOM 739 C GLY A 54 -9.673 12.844 -17.632 1.00 0.00 C ATOM 740 O GLY A 54 -9.660 11.659 -17.964 1.00 0.00 O ATOM 0 H GLY A 54 -7.301 11.979 -18.254 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.013 13.836 -16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.585 14.638 -18.129 1.00 0.00 H new ATOM 744 N PRO A 55 -10.794 13.454 -17.206 1.00 0.00 N ATOM 745 CA PRO A 55 -10.922 14.843 -16.768 1.00 0.00 C ATOM 746 C PRO A 55 -10.054 15.127 -15.541 1.00 0.00 C ATOM 747 O PRO A 55 -9.991 14.292 -14.639 1.00 0.00 O ATOM 748 CB PRO A 55 -12.409 15.036 -16.434 1.00 0.00 C ATOM 749 CG PRO A 55 -13.111 13.898 -17.176 1.00 0.00 C ATOM 750 CD PRO A 55 -12.077 12.779 -17.133 1.00 0.00 C ATOM 0 HA PRO A 55 -10.585 15.531 -17.543 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.586 14.980 -15.360 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.769 16.010 -16.766 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.041 13.609 -16.686 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.363 14.177 -18.199 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.165 12.195 -16.217 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.208 12.088 -17.966 1.00 0.00 H new ATOM 758 N TYR A 56 -9.382 16.289 -15.513 1.00 0.00 N ATOM 759 CA TYR A 56 -8.522 16.683 -14.407 1.00 0.00 C ATOM 760 C TYR A 56 -8.719 18.136 -13.969 1.00 0.00 C ATOM 761 O TYR A 56 -8.872 19.037 -14.798 1.00 0.00 O ATOM 762 CB TYR A 56 -7.073 16.315 -14.742 1.00 0.00 C ATOM 763 CG TYR A 56 -6.328 17.169 -15.751 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.588 17.052 -17.129 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.355 18.081 -15.306 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.874 17.837 -18.052 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.644 18.866 -16.227 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.894 18.737 -17.602 1.00 0.00 C ATOM 769 OH TYR A 56 -4.190 19.495 -18.495 1.00 0.00 O ATOM 0 H TYR A 56 -9.426 16.978 -16.264 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.812 16.121 -13.519 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.504 16.326 -13.812 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.067 15.288 -15.107 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.338 16.358 -17.479 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.153 18.178 -14.249 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.080 17.748 -19.108 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.904 19.570 -15.877 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.297 19.679 -18.136 1.00 0.00 H new ATOM 779 N GLN A 57 -8.710 18.330 -12.638 1.00 0.00 N ATOM 780 CA GLN A 57 -8.901 19.605 -11.967 1.00 0.00 C ATOM 781 C GLN A 57 -7.753 19.930 -11.011 1.00 0.00 C ATOM 782 O GLN A 57 -7.031 19.053 -10.539 1.00 0.00 O ATOM 783 CB GLN A 57 -10.255 19.627 -11.250 1.00 0.00 C ATOM 784 CG GLN A 57 -11.394 19.452 -12.269 1.00 0.00 C ATOM 785 CD GLN A 57 -12.608 20.346 -12.011 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.693 21.036 -10.997 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.560 20.342 -12.947 1.00 0.00 N ATOM 0 H GLN A 57 -8.562 17.562 -11.983 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.899 20.387 -12.726 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.295 18.830 -10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.377 20.569 -10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.009 19.660 -13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.716 18.411 -12.262 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.457 19.757 -13.776 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.390 20.924 -12.833 1.00 0.00 H new ATOM 796 N GLU A 58 -7.626 21.230 -10.737 1.00 0.00 N ATOM 797 CA GLU A 58 -6.618 21.868 -9.904 1.00 0.00 C ATOM 798 C GLU A 58 -6.912 21.802 -8.405 1.00 0.00 C ATOM 799 O GLU A 58 -8.060 21.632 -8.001 1.00 0.00 O ATOM 800 CB GLU A 58 -6.569 23.328 -10.351 1.00 0.00 C ATOM 801 CG GLU A 58 -6.205 23.482 -11.841 1.00 0.00 C ATOM 802 CD GLU A 58 -6.905 24.674 -12.500 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.136 24.784 -12.323 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.210 25.456 -13.181 1.00 0.00 O ATOM 0 H GLU A 58 -8.278 21.912 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.672 21.342 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.538 23.792 -10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.839 23.865 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.126 23.601 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.473 22.569 -12.373 1.00 0.00 H new ATOM 811 N PHE A 59 -5.855 21.929 -7.587 1.00 0.00 N ATOM 812 CA PHE A 59 -5.940 21.936 -6.132 1.00 0.00 C ATOM 813 C PHE A 59 -4.675 22.560 -5.532 1.00 0.00 C ATOM 814 O PHE A 59 -3.598 21.981 -5.629 1.00 0.00 O ATOM 815 CB PHE A 59 -6.169 20.541 -5.567 1.00 0.00 C ATOM 816 CG PHE A 59 -6.419 20.601 -4.078 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.602 21.188 -3.599 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.480 20.090 -3.167 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.825 21.251 -2.219 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.744 20.144 -1.788 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.916 20.723 -1.312 1.00 0.00 C ATOM 0 H PHE A 59 -4.901 22.031 -7.934 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.803 22.541 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.020 20.077 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.301 19.914 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.332 21.586 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.558 19.657 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.725 21.721 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.030 19.732 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.116 20.761 -0.251 1.00 0.00 H new ATOM 831 N PRO A 60 -4.745 23.724 -4.879 1.00 0.00 N ATOM 832 CA PRO A 60 -3.555 24.355 -4.359 1.00 0.00 C ATOM 833 C PRO A 60 -2.962 23.605 -3.164 1.00 0.00 C ATOM 834 O PRO A 60 -3.689 23.128 -2.293 1.00 0.00 O ATOM 835 CB PRO A 60 -3.950 25.804 -4.213 1.00 0.00 C ATOM 836 CG PRO A 60 -5.398 25.692 -3.733 1.00 0.00 C ATOM 837 CD PRO A 60 -5.918 24.514 -4.567 1.00 0.00 C ATOM 0 HA PRO A 60 -2.680 24.313 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.321 26.328 -3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.873 26.345 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.459 25.493 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.962 26.606 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.650 23.929 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.412 24.861 -5.474 1.00 0.00 H new ATOM 845 N ILE A 61 -1.624 23.501 -3.151 1.00 0.00 N ATOM 846 CA ILE A 61 -0.858 22.776 -2.144 1.00 0.00 C ATOM 847 C ILE A 61 -0.590 23.483 -0.821 1.00 0.00 C ATOM 848 O ILE A 61 -1.359 24.307 -0.329 1.00 0.00 O ATOM 849 CB ILE A 61 0.403 22.179 -2.774 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.707 20.777 -2.202 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.552 23.168 -3.010 1.00 0.00 C ATOM 852 CD1 ILE A 61 2.177 20.443 -2.291 1.00 0.00 C ATOM 0 H ILE A 61 -1.036 23.933 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.522 21.976 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 61 0.199 21.967 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.386 20.731 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.130 20.029 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.396 22.645 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.218 23.960 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.859 23.603 -2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.350 19.449 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.492 20.463 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.752 21.176 -1.724 1.00 0.00 H new ATOM 864 N LYS A 62 0.566 23.086 -0.300 1.00 0.00 N ATOM 865 CA LYS A 62 1.226 23.441 0.945 1.00 0.00 C ATOM 866 C LYS A 62 2.022 24.747 0.820 1.00 0.00 C ATOM 867 O LYS A 62 1.915 25.447 -0.184 1.00 0.00 O ATOM 868 CB LYS A 62 2.070 22.229 1.388 1.00 0.00 C ATOM 869 CG LYS A 62 1.220 21.064 1.916 1.00 0.00 C ATOM 870 CD LYS A 62 0.703 21.262 3.348 1.00 0.00 C ATOM 871 CE LYS A 62 1.824 21.229 4.394 1.00 0.00 C ATOM 872 NZ LYS A 62 1.280 21.265 5.761 1.00 0.00 N ATOM 0 H LYS A 62 1.137 22.416 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 62 0.494 23.655 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.667 21.882 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.767 22.544 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.369 20.919 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.813 20.150 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.180 22.216 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.025 20.484 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.422 20.327 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.491 22.078 4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.062 21.242 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.730 22.138 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.663 20.441 5.911 1.00 0.00 H new ATOM 886 N SER A 63 2.811 25.048 1.864 1.00 0.00 N ATOM 887 CA SER A 63 3.659 26.218 2.083 1.00 0.00 C ATOM 888 C SER A 63 2.780 27.222 2.830 1.00 0.00 C ATOM 889 O SER A 63 2.599 28.362 2.404 1.00 0.00 O ATOM 890 CB SER A 63 4.317 26.778 0.813 1.00 0.00 C ATOM 891 OG SER A 63 5.212 27.818 1.150 1.00 0.00 O ATOM 0 H SER A 63 2.873 24.407 2.655 1.00 0.00 H new ATOM 0 HA SER A 63 4.536 25.952 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.850 25.984 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.552 27.152 0.132 1.00 0.00 H new ATOM 0 HG SER A 63 5.628 28.168 0.335 1.00 0.00 H new ATOM 897 N GLY A 64 2.232 26.750 3.957 1.00 0.00 N ATOM 898 CA GLY A 64 1.333 27.465 4.845 1.00 0.00 C ATOM 899 C GLY A 64 0.312 26.466 5.393 1.00 0.00 C ATOM 900 O GLY A 64 0.047 26.444 6.594 1.00 0.00 O ATOM 0 H GLY A 64 2.421 25.803 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.890 27.926 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.829 28.269 4.309 1.00 0.00 H new ATOM 904 N GLY A 65 -0.248 25.636 4.501 1.00 0.00 N ATOM 905 CA GLY A 65 -1.229 24.606 4.809 1.00 0.00 C ATOM 906 C GLY A 65 -2.035 24.261 3.557 1.00 0.00 C ATOM 907 O GLY A 65 -1.900 24.926 2.530 1.00 0.00 O ATOM 0 H GLY A 65 -0.015 25.672 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.727 23.715 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.897 24.952 5.598 1.00 0.00 H new ATOM 911 N VAL A 66 -2.870 23.214 3.633 1.00 0.00 N ATOM 912 CA VAL A 66 -3.708 22.800 2.516 1.00 0.00 C ATOM 913 C VAL A 66 -4.901 23.760 2.471 1.00 0.00 C ATOM 914 O VAL A 66 -5.707 23.776 3.400 1.00 0.00 O ATOM 915 CB VAL A 66 -4.152 21.326 2.646 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.867 20.897 1.356 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.962 20.388 2.874 1.00 0.00 C ATOM 0 H VAL A 66 -2.978 22.639 4.468 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.150 22.849 1.581 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.817 21.256 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.182 19.857 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.741 21.529 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.186 21.000 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.319 19.362 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.273 20.463 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.446 20.671 3.792 1.00 0.00 H new ATOM 927 N TYR A 67 -4.998 24.559 1.399 1.00 0.00 N ATOM 928 CA TYR A 67 -6.047 25.548 1.181 1.00 0.00 C ATOM 929 C TYR A 67 -6.038 26.626 2.273 1.00 0.00 C ATOM 930 O TYR A 67 -6.876 26.613 3.174 1.00 0.00 O ATOM 931 CB TYR A 67 -7.420 24.869 1.000 1.00 0.00 C ATOM 932 CG TYR A 67 -8.578 25.841 0.842 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.693 26.623 -0.322 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.541 25.963 1.863 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.756 27.533 -0.458 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.603 26.874 1.727 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.704 27.666 0.572 1.00 0.00 C ATOM 938 OH TYR A 67 -11.730 28.558 0.448 1.00 0.00 O ATOM 0 H TYR A 67 -4.321 24.528 0.637 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.840 26.070 0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.381 24.222 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.613 24.228 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.964 26.524 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.463 25.355 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.844 28.130 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.341 26.965 2.510 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.294 28.522 1.249 1.00 0.00 H new ATOM 948 N THR A 68 -5.073 27.553 2.194 1.00 0.00 N ATOM 949 CA THR A 68 -4.923 28.668 3.126 1.00 0.00 C ATOM 950 C THR A 68 -4.068 29.774 2.493 1.00 0.00 C ATOM 951 O THR A 68 -3.643 29.656 1.343 1.00 0.00 O ATOM 952 CB THR A 68 -4.419 28.196 4.498 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.591 29.210 5.466 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.951 27.799 4.439 1.00 0.00 C ATOM 0 H THR A 68 -4.362 27.544 1.463 1.00 0.00 H new ATOM 0 HA THR A 68 -5.902 29.105 3.323 1.00 0.00 H new ATOM 0 HB THR A 68 -5.007 27.323 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.266 28.892 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.623 27.469 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.822 26.987 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.355 28.656 4.126 1.00 0.00 H new ATOM 962 N GLY A 69 -3.818 30.850 3.253 1.00 0.00 N ATOM 963 CA GLY A 69 -3.021 31.993 2.833 1.00 0.00 C ATOM 964 C GLY A 69 -1.523 31.679 2.807 1.00 0.00 C ATOM 965 O GLY A 69 -1.122 30.539 2.573 1.00 0.00 O ATOM 0 H GLY A 69 -4.179 30.944 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.341 32.311 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.203 32.828 3.509 1.00 0.00 H new ATOM 969 N GLY A 70 -0.692 32.705 3.040 1.00 0.00 N ATOM 970 CA GLY A 70 0.761 32.589 3.032 1.00 0.00 C ATOM 971 C GLY A 70 1.276 32.766 1.605 1.00 0.00 C ATOM 972 O GLY A 70 2.128 33.615 1.348 1.00 0.00 O ATOM 0 H GLY A 70 -1.022 33.649 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.201 33.343 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.061 31.616 3.421 1.00 0.00 H new ATOM 976 N SER A 71 0.750 31.943 0.689 1.00 0.00 N ATOM 977 CA SER A 71 1.059 31.939 -0.729 1.00 0.00 C ATOM 978 C SER A 71 -0.275 31.759 -1.463 1.00 0.00 C ATOM 979 O SER A 71 -0.584 30.643 -1.879 1.00 0.00 O ATOM 980 CB SER A 71 2.062 30.816 -1.030 1.00 0.00 C ATOM 981 OG SER A 71 2.420 30.839 -2.395 1.00 0.00 O ATOM 0 H SER A 71 0.065 31.230 0.939 1.00 0.00 H new ATOM 0 HA SER A 71 1.529 32.865 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.951 30.936 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.625 29.850 -0.777 1.00 0.00 H new ATOM 0 HG SER A 71 3.061 30.120 -2.577 1.00 0.00 H new ATOM 987 N PRO A 72 -1.069 32.840 -1.610 1.00 0.00 N ATOM 988 CA PRO A 72 -2.404 32.856 -2.198 1.00 0.00 C ATOM 989 C PRO A 72 -2.645 31.894 -3.360 1.00 0.00 C ATOM 990 O PRO A 72 -3.576 31.092 -3.294 1.00 0.00 O ATOM 991 CB PRO A 72 -2.651 34.311 -2.594 1.00 0.00 C ATOM 992 CG PRO A 72 -1.979 35.046 -1.440 1.00 0.00 C ATOM 993 CD PRO A 72 -0.732 34.193 -1.184 1.00 0.00 C ATOM 0 HA PRO A 72 -3.116 32.484 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.203 34.558 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.713 34.543 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.722 36.071 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.623 35.097 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.122 34.575 -1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.457 34.212 -0.129 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.818 31.955 -4.411 1.00 0.00 N ATOM 1002 CA GLY A 73 -2.007 31.079 -5.550 1.00 0.00 C ATOM 1003 C GLY A 73 -0.808 31.031 -6.486 1.00 0.00 C ATOM 1004 O GLY A 73 -0.628 31.926 -7.308 1.00 0.00 O ATOM 0 H GLY A 73 -1.027 32.594 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.219 30.071 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.882 31.409 -6.110 1.00 0.00 H new ATOM 1008 N ALA A 74 0.010 29.984 -6.341 1.00 0.00 N ATOM 1009 CA ALA A 74 1.176 29.711 -7.162 1.00 0.00 C ATOM 1010 C ALA A 74 1.418 28.215 -7.091 1.00 0.00 C ATOM 1011 O ALA A 74 1.075 27.538 -8.050 1.00 0.00 O ATOM 1012 CB ALA A 74 2.420 30.548 -6.858 1.00 0.00 C ATOM 0 H ALA A 74 -0.135 29.280 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 74 0.962 30.027 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.227 30.258 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.191 31.604 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.730 30.378 -5.827 1.00 0.00 H new ATOM 1018 N ASP A 75 1.981 27.702 -5.985 1.00 0.00 N ATOM 1019 CA ASP A 75 2.241 26.280 -5.785 1.00 0.00 C ATOM 1020 C ASP A 75 0.905 25.535 -5.868 1.00 0.00 C ATOM 1021 O ASP A 75 0.066 25.673 -4.976 1.00 0.00 O ATOM 1022 CB ASP A 75 2.928 26.072 -4.428 1.00 0.00 C ATOM 1023 CG ASP A 75 4.255 26.822 -4.326 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.200 28.058 -4.143 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.304 26.149 -4.423 1.00 0.00 O ATOM 0 H ASP A 75 2.271 28.279 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 75 2.909 25.889 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.263 26.406 -3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.102 25.007 -4.272 1.00 0.00 H new ATOM 1030 N ARG A 76 0.712 24.746 -6.936 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.529 24.021 -7.158 1.00 0.00 C ATOM 1032 C ARG A 76 -0.335 22.580 -7.614 1.00 0.00 C ATOM 1033 O ARG A 76 0.270 22.342 -8.660 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.350 24.801 -8.205 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.860 24.547 -8.156 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.584 25.476 -9.133 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.338 25.089 -10.528 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.670 25.829 -11.599 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.292 27.008 -11.458 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.369 25.399 -12.832 1.00 0.00 N ATOM 0 H ARG A 76 1.414 24.599 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.048 23.953 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.170 25.867 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.984 24.543 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.070 23.507 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.231 24.711 -7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.655 25.454 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.251 26.502 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.882 24.192 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.520 27.356 -10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.537 27.557 -12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.887 24.509 -12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.622 25.962 -13.644 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.842 21.625 -6.819 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.792 20.211 -7.169 1.00 0.00 C ATOM 1056 C VAL A 77 -2.080 20.022 -7.953 1.00 0.00 C ATOM 1057 O VAL A 77 -3.054 20.736 -7.739 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.660 19.249 -5.979 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.742 19.395 -5.389 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.742 19.448 -4.908 1.00 0.00 C ATOM 0 H VAL A 77 -1.293 21.816 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 77 0.107 19.963 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.811 18.234 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.853 18.718 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.484 19.150 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.891 20.422 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.587 18.735 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.683 20.463 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.725 19.287 -5.350 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.120 19.076 -8.874 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.307 18.907 -9.688 1.00 0.00 C ATOM 1072 C VAL A 78 -3.574 17.408 -9.805 1.00 0.00 C ATOM 1073 O VAL A 78 -2.628 16.627 -9.904 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.044 19.712 -10.979 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.139 19.526 -12.030 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.837 21.227 -10.670 1.00 0.00 C ATOM 0 H VAL A 78 -1.360 18.426 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.240 19.301 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.123 19.311 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.899 20.116 -12.914 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.206 18.473 -12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.094 19.856 -11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.654 21.766 -11.599 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.730 21.626 -10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.982 21.349 -10.005 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.860 17.013 -9.774 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.281 15.616 -9.842 1.00 0.00 C ATOM 1088 C ILE A 79 -6.444 15.400 -10.816 1.00 0.00 C ATOM 1089 O ILE A 79 -6.938 16.346 -11.423 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.554 15.048 -8.430 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.959 15.310 -7.861 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.527 15.509 -7.389 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.380 14.101 -7.022 1.00 0.00 C ATOM 0 H ILE A 79 -5.639 17.668 -9.700 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.452 15.042 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.468 13.975 -8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.957 16.212 -7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.670 15.475 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.773 15.077 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.532 15.182 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.545 16.596 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.375 14.272 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.395 13.210 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.671 13.959 -6.207 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.880 14.139 -10.939 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.945 13.674 -11.814 1.00 0.00 C ATOM 1107 C ASN A 80 -9.255 13.586 -11.040 1.00 0.00 C ATOM 1108 O ASN A 80 -9.264 13.693 -9.814 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.561 12.348 -12.483 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.367 12.525 -13.419 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -6.532 12.574 -14.636 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.161 12.618 -12.855 1.00 0.00 N ATOM 0 H ASN A 80 -6.470 13.379 -10.396 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.092 14.394 -12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.321 11.609 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.412 11.961 -13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.333 12.734 -13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.068 12.573 -11.840 1.00 0.00 H new ATOM 1119 N THR A 81 -10.360 13.375 -11.765 1.00 0.00 N ATOM 1120 CA THR A 81 -11.697 13.307 -11.194 1.00 0.00 C ATOM 1121 C THR A 81 -12.099 12.034 -10.462 1.00 0.00 C ATOM 1122 O THR A 81 -13.282 11.702 -10.406 1.00 0.00 O ATOM 1123 CB THR A 81 -12.732 13.812 -12.214 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.981 14.084 -11.615 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.920 12.779 -13.320 1.00 0.00 C ATOM 0 H THR A 81 -10.343 13.246 -12.777 1.00 0.00 H new ATOM 0 HA THR A 81 -11.670 13.989 -10.344 1.00 0.00 H new ATOM 0 HB THR A 81 -12.348 14.744 -12.629 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.195 13.378 -10.971 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.654 13.144 -14.038 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.970 12.611 -13.827 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.271 11.842 -12.887 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.127 11.325 -9.888 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.402 10.138 -9.120 1.00 0.00 C ATOM 1135 C ASN A 82 -10.639 10.392 -7.830 1.00 0.00 C ATOM 1136 O ASN A 82 -11.217 10.762 -6.809 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.950 8.883 -9.888 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.850 8.584 -11.088 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.950 9.392 -12.011 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -12.501 7.418 -11.085 1.00 0.00 N ATOM 0 H ASN A 82 -10.138 11.565 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.458 9.950 -8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.924 9.019 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.950 8.027 -9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.107 7.170 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.392 6.775 -10.301 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.328 10.183 -7.921 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.377 10.327 -6.828 1.00 0.00 C ATOM 1149 C CYS A 83 -6.902 10.408 -7.238 1.00 0.00 C ATOM 1150 O CYS A 83 -6.082 10.891 -6.458 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.586 9.215 -5.787 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.362 9.716 -4.056 1.00 0.00 S ATOM 0 H CYS A 83 -8.884 9.897 -8.794 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.596 11.303 -6.395 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.593 8.816 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.893 8.402 -6.005 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.563 9.949 -8.454 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.186 9.873 -8.941 1.00 0.00 C ATOM 1159 C GLU A 84 -4.623 11.199 -9.432 1.00 0.00 C ATOM 1160 O GLU A 84 -5.339 12.007 -10.002 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.109 8.790 -10.024 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.684 8.547 -10.539 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.612 7.262 -11.360 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.487 6.191 -10.724 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.692 7.368 -12.603 1.00 0.00 O ATOM 0 H GLU A 84 -7.250 9.617 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.552 9.609 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.507 7.857 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.746 9.076 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.365 9.392 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.995 8.484 -9.697 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.320 11.391 -9.210 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.526 12.563 -9.551 1.00 0.00 C ATOM 1174 C TYR A 85 -2.404 12.863 -11.044 1.00 0.00 C ATOM 1175 O TYR A 85 -2.555 11.981 -11.886 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.073 12.256 -9.168 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.620 12.394 -7.740 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.962 11.426 -6.779 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.168 13.500 -7.374 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -0.503 11.562 -5.460 1.00 0.00 C ATOM 1181 CE2 TYR A 85 0.621 13.637 -6.068 1.00 0.00 C ATOM 1182 CZ TYR A 85 0.298 12.661 -5.111 1.00 0.00 C ATOM 1183 OH TYR A 85 0.756 12.779 -3.844 1.00 0.00 O ATOM 0 H TYR A 85 -2.755 10.675 -8.753 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.020 13.392 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.868 11.230 -9.474 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.436 12.902 -9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.576 10.581 -7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.422 14.246 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.765 10.824 -4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.220 14.491 -5.789 1.00 0.00 H new ATOM 0 HH TYR A 85 1.736 12.785 -3.850 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.112 14.140 -11.319 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.842 14.726 -12.626 1.00 0.00 C ATOM 1195 C ALA A 86 -0.364 15.143 -12.546 1.00 0.00 C ATOM 1196 O ALA A 86 0.398 14.897 -13.481 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.770 15.897 -12.966 1.00 0.00 C ATOM 0 H ALA A 86 -2.056 14.837 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.032 14.021 -13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.516 16.288 -13.951 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.804 15.553 -12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.650 16.684 -12.222 1.00 0.00 H new ATOM 1203 N GLY A 87 0.031 15.768 -11.418 1.00 0.00 N ATOM 1204 CA GLY A 87 1.385 16.205 -11.105 1.00 0.00 C ATOM 1205 C GLY A 87 1.390 17.519 -10.329 1.00 0.00 C ATOM 1206 O GLY A 87 0.469 17.777 -9.555 1.00 0.00 O ATOM 0 H GLY A 87 -0.627 15.987 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.890 15.436 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.951 16.326 -12.029 1.00 0.00 H new ATOM 1210 N ALA A 88 2.434 18.340 -10.530 1.00 0.00 N ATOM 1211 CA ALA A 88 2.595 19.616 -9.845 1.00 0.00 C ATOM 1212 C ALA A 88 3.199 20.690 -10.753 1.00 0.00 C ATOM 1213 O ALA A 88 4.015 20.407 -11.632 1.00 0.00 O ATOM 1214 CB ALA A 88 3.439 19.407 -8.586 1.00 0.00 C ATOM 0 H ALA A 88 3.191 18.127 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 88 1.609 19.983 -9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.563 20.359 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.939 18.698 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.417 19.015 -8.865 1.00 0.00 H new ATOM 1220 N ILE A 89 2.780 21.936 -10.499 1.00 0.00 N ATOM 1221 CA ILE A 89 3.164 23.152 -11.205 1.00 0.00 C ATOM 1222 C ILE A 89 3.175 24.312 -10.200 1.00 0.00 C ATOM 1223 O ILE A 89 2.673 24.153 -9.087 1.00 0.00 O ATOM 1224 CB ILE A 89 2.168 23.398 -12.358 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.714 23.366 -11.846 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.363 22.366 -13.475 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.325 23.722 -12.908 1.00 0.00 C ATOM 0 H ILE A 89 2.121 22.128 -9.745 1.00 0.00 H new ATOM 0 HA ILE A 89 4.160 23.063 -11.638 1.00 0.00 H new ATOM 0 HB ILE A 89 2.366 24.389 -12.765 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.497 22.370 -11.459 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.618 24.060 -11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.650 22.559 -14.277 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.378 22.440 -13.866 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.200 21.364 -13.077 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.322 23.677 -12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.136 24.730 -13.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.259 23.014 -13.734 1.00 0.00 H new ATOM 1239 N THR A 90 3.744 25.475 -10.563 1.00 0.00 N ATOM 1240 CA THR A 90 3.781 26.623 -9.660 1.00 0.00 C ATOM 1241 C THR A 90 3.982 27.987 -10.333 1.00 0.00 C ATOM 1242 O THR A 90 4.638 28.053 -11.370 1.00 0.00 O ATOM 1243 CB THR A 90 4.899 26.408 -8.620 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.970 27.504 -7.729 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.273 26.205 -9.272 1.00 0.00 C ATOM 0 H THR A 90 4.180 25.638 -11.471 1.00 0.00 H new ATOM 0 HA THR A 90 2.792 26.666 -9.205 1.00 0.00 H new ATOM 0 HB THR A 90 4.643 25.500 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.684 27.349 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.025 26.058 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.243 25.329 -9.919 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.528 27.084 -9.864 1.00 0.00 H new ATOM 1253 N HIS A 91 3.403 29.068 -9.757 1.00 0.00 N ATOM 1254 CA HIS A 91 3.627 30.435 -10.273 1.00 0.00 C ATOM 1255 C HIS A 91 4.944 30.998 -9.690 1.00 0.00 C ATOM 1256 O HIS A 91 5.025 32.193 -9.407 1.00 0.00 O ATOM 1257 CB HIS A 91 2.545 31.517 -10.026 1.00 0.00 C ATOM 1258 CG HIS A 91 1.118 31.281 -10.400 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.121 32.174 -10.041 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.487 30.295 -11.097 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -1.038 31.695 -10.515 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.879 30.552 -11.180 1.00 0.00 N ATOM 0 H HIS A 91 2.786 29.019 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 91 3.625 30.268 -11.350 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.561 31.747 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.868 32.416 -10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.978 29.434 -11.526 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.992 32.181 -10.374 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.595 29.993 -11.644 1.00 0.00 H new ATOM 1270 N THR A 92 5.985 30.175 -9.501 1.00 0.00 N ATOM 1271 CA THR A 92 7.255 30.616 -8.925 1.00 0.00 C ATOM 1272 C THR A 92 7.941 31.739 -9.707 1.00 0.00 C ATOM 1273 O THR A 92 8.559 32.617 -9.106 1.00 0.00 O ATOM 1274 CB THR A 92 8.183 29.424 -8.669 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.264 29.823 -7.853 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.714 28.865 -9.984 1.00 0.00 C ATOM 0 H THR A 92 5.966 29.185 -9.745 1.00 0.00 H new ATOM 0 HA THR A 92 7.013 31.067 -7.963 1.00 0.00 H new ATOM 0 HB THR A 92 7.613 28.646 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.357 29.197 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.371 28.019 -9.781 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.879 28.536 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.272 29.640 -10.510 1.00 0.00 H new ATOM 1284 N GLY A 93 7.824 31.717 -11.037 1.00 0.00 N ATOM 1285 CA GLY A 93 8.431 32.714 -11.901 1.00 0.00 C ATOM 1286 C GLY A 93 7.985 32.518 -13.346 1.00 0.00 C ATOM 1287 O GLY A 93 8.816 32.290 -14.225 1.00 0.00 O ATOM 0 H GLY A 93 7.301 31.000 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.155 33.713 -11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.517 32.645 -11.838 1.00 0.00 H new ATOM 1291 N ALA A 94 6.672 32.613 -13.577 1.00 0.00 N ATOM 1292 CA ALA A 94 6.059 32.471 -14.887 1.00 0.00 C ATOM 1293 C ALA A 94 5.827 33.860 -15.481 1.00 0.00 C ATOM 1294 O ALA A 94 6.512 34.258 -16.422 1.00 0.00 O ATOM 1295 CB ALA A 94 4.773 31.648 -14.759 1.00 0.00 C ATOM 0 H ALA A 94 5.996 32.795 -12.836 1.00 0.00 H new ATOM 0 HA ALA A 94 6.713 31.932 -15.572 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.311 31.540 -15.740 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.010 30.662 -14.359 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.082 32.156 -14.086 1.00 0.00 H new ATOM 1301 N SER A 95 4.861 34.587 -14.910 1.00 0.00 N ATOM 1302 CA SER A 95 4.473 35.938 -15.293 1.00 0.00 C ATOM 1303 C SER A 95 3.499 36.492 -14.251 1.00 0.00 C ATOM 1304 O SER A 95 3.800 37.485 -13.591 1.00 0.00 O ATOM 1305 CB SER A 95 3.857 35.954 -16.700 1.00 0.00 C ATOM 1306 OG SER A 95 3.392 37.250 -17.016 1.00 0.00 O ATOM 0 H SER A 95 4.306 34.228 -14.133 1.00 0.00 H new ATOM 0 HA SER A 95 5.357 36.574 -15.325 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.599 35.638 -17.433 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.033 35.242 -16.752 1.00 0.00 H new ATOM 0 HG SER A 95 3.003 37.248 -17.916 1.00 0.00 H new ATOM 1312 N GLY A 96 2.333 35.849 -14.119 1.00 0.00 N ATOM 1313 CA GLY A 96 1.294 36.224 -13.174 1.00 0.00 C ATOM 1314 C GLY A 96 0.394 35.016 -12.955 1.00 0.00 C ATOM 1315 O GLY A 96 0.625 34.237 -12.034 1.00 0.00 O ATOM 0 H GLY A 96 2.087 35.035 -14.683 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.736 36.545 -12.231 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.716 37.065 -13.558 1.00 0.00 H new ATOM 1319 N ASN A 97 -0.623 34.860 -13.811 1.00 0.00 N ATOM 1320 CA ASN A 97 -1.559 33.743 -13.755 1.00 0.00 C ATOM 1321 C ASN A 97 -0.936 32.497 -14.396 1.00 0.00 C ATOM 1322 O ASN A 97 -1.401 31.385 -14.151 1.00 0.00 O ATOM 1323 CB ASN A 97 -2.859 34.123 -14.474 1.00 0.00 C ATOM 1324 CG ASN A 97 -3.502 35.368 -13.867 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.550 36.419 -14.504 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -3.999 35.252 -12.631 1.00 0.00 N ATOM 0 H ASN A 97 -0.817 35.516 -14.568 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.785 33.516 -12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.652 34.299 -15.530 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.560 33.290 -14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.439 36.055 -12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.938 34.361 -12.138 1.00 0.00 H new ATOM 1333 N ASN A 98 0.118 32.684 -15.205 1.00 0.00 N ATOM 1334 CA ASN A 98 0.850 31.631 -15.891 1.00 0.00 C ATOM 1335 C ASN A 98 1.556 30.718 -14.885 1.00 0.00 C ATOM 1336 O ASN A 98 1.653 31.039 -13.703 1.00 0.00 O ATOM 1337 CB ASN A 98 1.838 32.261 -16.882 1.00 0.00 C ATOM 1338 CG ASN A 98 1.121 33.009 -18.006 1.00 0.00 C ATOM 1339 OD1 ASN A 98 0.956 32.475 -19.100 1.00 0.00 O ATOM 1340 ND2 ASN A 98 0.699 34.250 -17.744 1.00 0.00 N ATOM 0 H ASN A 98 0.491 33.613 -15.401 1.00 0.00 H new ATOM 0 HA ASN A 98 0.153 31.007 -16.451 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.496 32.949 -16.351 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.469 31.482 -17.310 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.221 34.789 -18.466 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.855 34.658 -16.822 1.00 0.00 H new ATOM 1347 N PHE A 99 2.058 29.581 -15.377 1.00 0.00 N ATOM 1348 CA PHE A 99 2.728 28.556 -14.589 1.00 0.00 C ATOM 1349 C PHE A 99 3.994 28.022 -15.255 1.00 0.00 C ATOM 1350 O PHE A 99 4.284 28.308 -16.416 1.00 0.00 O ATOM 1351 CB PHE A 99 1.756 27.363 -14.528 1.00 0.00 C ATOM 1352 CG PHE A 99 0.743 27.427 -13.418 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.084 26.889 -12.170 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.524 27.999 -13.617 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.169 26.915 -11.111 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.441 28.034 -12.555 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.092 27.495 -11.301 1.00 0.00 C ATOM 0 H PHE A 99 2.004 29.346 -16.368 1.00 0.00 H new ATOM 0 HA PHE A 99 2.997 28.988 -13.625 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.228 27.295 -15.479 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.335 26.446 -14.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.060 26.451 -12.024 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.791 28.409 -14.580 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.433 26.491 -10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.416 28.475 -12.699 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.798 27.529 -10.484 1.00 0.00 H new ATOM 1367 N VAL A 100 4.737 27.243 -14.458 1.00 0.00 N ATOM 1368 CA VAL A 100 5.954 26.535 -14.817 1.00 0.00 C ATOM 1369 C VAL A 100 5.893 25.182 -14.106 1.00 0.00 C ATOM 1370 O VAL A 100 5.102 24.987 -13.184 1.00 0.00 O ATOM 1371 CB VAL A 100 7.247 27.314 -14.531 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.420 28.469 -15.519 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.336 27.821 -13.095 1.00 0.00 C ATOM 0 H VAL A 100 4.480 27.086 -13.484 1.00 0.00 H new ATOM 0 HA VAL A 100 5.997 26.403 -15.898 1.00 0.00 H new ATOM 0 HB VAL A 100 8.065 26.606 -14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.343 29.004 -15.295 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.466 28.075 -16.534 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.574 29.151 -15.433 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.272 28.363 -12.958 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.498 28.488 -12.892 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.302 26.976 -12.408 1.00 0.00 H new ATOM 1383 N GLY A 101 6.747 24.251 -14.537 1.00 0.00 N ATOM 1384 CA GLY A 101 6.781 22.900 -14.005 1.00 0.00 C ATOM 1385 C GLY A 101 7.467 22.757 -12.649 1.00 0.00 C ATOM 1386 O GLY A 101 8.460 23.427 -12.373 1.00 0.00 O ATOM 0 H GLY A 101 7.436 24.421 -15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.758 22.534 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.290 22.256 -14.722 1.00 0.00 H new ATOM 1390 N CYS A 102 6.904 21.873 -11.813 1.00 0.00 N ATOM 1391 CA CYS A 102 7.395 21.521 -10.486 1.00 0.00 C ATOM 1392 C CYS A 102 7.927 20.094 -10.632 1.00 0.00 C ATOM 1393 O CYS A 102 7.694 19.456 -11.656 1.00 0.00 O ATOM 1394 CB CYS A 102 6.272 21.640 -9.450 1.00 0.00 C ATOM 1395 SG CYS A 102 6.677 21.542 -7.681 1.00 0.00 S ATOM 0 H CYS A 102 6.055 21.364 -12.061 1.00 0.00 H new ATOM 0 HA CYS A 102 8.179 22.188 -10.128 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.771 22.593 -9.619 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.546 20.856 -9.663 1.00 0.00 H new ATOM 1400 N SER A 103 8.628 19.571 -9.625 1.00 0.00 N ATOM 1401 CA SER A 103 9.204 18.227 -9.697 1.00 0.00 C ATOM 1402 C SER A 103 10.192 18.158 -10.866 1.00 0.00 C ATOM 1403 O SER A 103 10.726 19.173 -11.315 1.00 0.00 O ATOM 1404 CB SER A 103 8.081 17.171 -9.845 1.00 0.00 C ATOM 1405 OG SER A 103 8.414 15.994 -9.137 1.00 0.00 O ATOM 0 H SER A 103 8.811 20.059 -8.748 1.00 0.00 H new ATOM 0 HA SER A 103 9.744 18.009 -8.775 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.141 17.575 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.929 16.938 -10.899 1.00 0.00 H new ATOM 0 HG SER A 103 7.694 15.337 -9.238 1.00 0.00 H new ATOM 1411 N GLY A 104 10.435 16.937 -11.344 1.00 0.00 N ATOM 1412 CA GLY A 104 11.296 16.662 -12.483 1.00 0.00 C ATOM 1413 C GLY A 104 10.677 17.181 -13.793 1.00 0.00 C ATOM 1414 O GLY A 104 11.354 17.194 -14.820 1.00 0.00 O ATOM 0 H GLY A 104 10.027 16.096 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.268 17.130 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.468 15.588 -12.560 1.00 0.00 H new ATOM 1418 N THR A 105 9.406 17.617 -13.761 1.00 0.00 N ATOM 1419 CA THR A 105 8.675 18.153 -14.899 1.00 0.00 C ATOM 1420 C THR A 105 9.095 19.607 -15.120 1.00 0.00 C ATOM 1421 O THR A 105 9.343 20.345 -14.167 1.00 0.00 O ATOM 1422 CB THR A 105 7.161 18.028 -14.637 1.00 0.00 C ATOM 1423 OG1 THR A 105 6.776 16.676 -14.779 1.00 0.00 O ATOM 1424 CG2 THR A 105 6.303 18.899 -15.558 1.00 0.00 C ATOM 0 H THR A 105 8.849 17.601 -12.907 1.00 0.00 H new ATOM 0 HA THR A 105 8.905 17.591 -15.804 1.00 0.00 H new ATOM 0 HB THR A 105 6.987 18.385 -13.622 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.814 16.590 -14.612 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.250 18.758 -15.315 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.570 19.947 -15.421 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.477 18.613 -16.595 1.00 0.00 H new ATOM 1432 N ASN A 106 9.171 19.994 -16.398 1.00 0.00 N ATOM 1433 CA ASN A 106 9.563 21.318 -16.850 1.00 0.00 C ATOM 1434 C ASN A 106 8.821 21.670 -18.141 1.00 0.00 C ATOM 1435 O ASN A 106 8.516 20.729 -18.906 1.00 0.00 O ATOM 1436 CB ASN A 106 11.090 21.372 -17.019 1.00 0.00 C ATOM 1437 CG ASN A 106 11.655 20.174 -17.785 1.00 0.00 C ATOM 1438 OD1 ASN A 106 12.181 19.243 -17.180 1.00 0.00 O ATOM 1439 ND2 ASN A 106 11.549 20.190 -19.116 1.00 0.00 N ATOM 1440 OXT ASN A 106 8.447 22.857 -18.272 1.00 0.00 O ATOM 0 H ASN A 106 8.951 19.364 -17.169 1.00 0.00 H new ATOM 0 HA ASN A 106 9.287 22.066 -16.106 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.359 22.289 -17.543 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.556 21.418 -16.035 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.911 19.411 -19.666 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.106 20.981 -19.583 1.00 0.00 H new