USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=0.24) USER MOD Set 2.1: A 61 SER OG : rot 169:sc= 0.964 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.0129 USER MOD Set 3.1: A 10 SER OG : rot -111:sc= 1.22 USER MOD Set 3.2: A 12 ASN : amide:sc= 0.955 K(o=2.2,f=-0.72) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -38:sc= 0.45 USER MOD Single : A 13 THR OG1 : rot -150:sc= 0.383 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -112:sc= -0.788 (180deg=-2.61!) USER MOD Single : A 30 MET CE :methyl -144:sc= -1.65! (180deg=-4.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.53! C(o=-3.5!,f=-4.9!) USER MOD Single : A 48 SER OG : rot -163:sc= -0.57 USER MOD Single : A 49 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0764 F(o=-0.91,f=-0.076) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 66 TYR OH : rot -157:sc= 0.256 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.165 F(o=-0.79,f=-0.17) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 5.991 1.582 -17.029 1.00 0.00 N ATOM 2 CA MET A 4 7.267 2.223 -16.773 1.00 0.00 C ATOM 3 C MET A 4 7.131 3.243 -15.655 1.00 0.00 C ATOM 4 O MET A 4 6.057 3.813 -15.456 1.00 0.00 O ATOM 5 CB MET A 4 7.819 2.881 -18.025 1.00 0.00 C ATOM 6 CG MET A 4 8.221 1.893 -19.102 1.00 0.00 C ATOM 7 SD MET A 4 8.924 2.712 -20.554 1.00 0.00 S ATOM 8 CE MET A 4 9.328 1.304 -21.575 1.00 0.00 C ATOM 0 HA MET A 4 7.972 1.451 -16.464 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.069 3.561 -18.429 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.685 3.485 -17.756 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.949 1.191 -18.695 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.350 1.311 -19.402 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.772 1.648 -22.509 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.038 0.665 -21.049 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.421 0.739 -21.790 1.00 0.00 H new ATOM 18 N ARG A 5 8.232 3.459 -14.942 1.00 0.00 N ATOM 19 CA ARG A 5 8.262 4.248 -13.716 1.00 0.00 C ATOM 20 C ARG A 5 7.658 5.634 -13.913 1.00 0.00 C ATOM 21 O ARG A 5 6.739 6.032 -13.195 1.00 0.00 O ATOM 22 CB ARG A 5 9.711 4.399 -13.258 1.00 0.00 C ATOM 23 CG ARG A 5 9.852 4.877 -11.824 1.00 0.00 C ATOM 24 CD ARG A 5 11.274 5.302 -11.537 1.00 0.00 C ATOM 25 NE ARG A 5 12.251 4.303 -11.983 1.00 0.00 N ATOM 26 CZ ARG A 5 13.537 4.324 -11.641 1.00 0.00 C ATOM 27 NH1 ARG A 5 13.980 5.186 -10.736 1.00 0.00 N ATOM 28 NH2 ARG A 5 14.386 3.451 -12.163 1.00 0.00 N ATOM 0 H ARG A 5 9.144 3.084 -15.205 1.00 0.00 H new ATOM 0 HA ARG A 5 7.667 3.726 -12.967 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.218 3.440 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.220 5.102 -13.918 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.175 5.713 -11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.561 4.080 -11.140 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.475 6.251 -12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.392 5.471 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 5 11.927 3.550 -12.589 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.333 5.840 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.967 5.195 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.056 2.756 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.370 3.474 -11.895 1.00 0.00 H new ATOM 42 N SER A 6 8.183 6.375 -14.876 1.00 0.00 N ATOM 43 CA SER A 6 7.775 7.764 -15.080 1.00 0.00 C ATOM 44 C SER A 6 6.650 7.882 -16.101 1.00 0.00 C ATOM 45 O SER A 6 6.307 8.976 -16.551 1.00 0.00 O ATOM 46 CB SER A 6 8.986 8.602 -15.506 1.00 0.00 C ATOM 47 OG SER A 6 8.684 9.996 -15.463 1.00 0.00 O ATOM 0 H SER A 6 8.892 6.042 -15.530 1.00 0.00 H new ATOM 0 HA SER A 6 7.388 8.145 -14.135 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.829 8.389 -14.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.289 8.323 -16.515 1.00 0.00 H new ATOM 0 HG SER A 6 7.764 10.141 -15.769 1.00 0.00 H new ATOM 53 N GLU A 7 6.068 6.760 -16.480 1.00 0.00 N ATOM 54 CA GLU A 7 5.039 6.770 -17.509 1.00 0.00 C ATOM 55 C GLU A 7 3.651 6.857 -16.919 1.00 0.00 C ATOM 56 O GLU A 7 2.650 6.682 -17.623 1.00 0.00 O ATOM 57 CB GLU A 7 5.157 5.546 -18.420 1.00 0.00 C ATOM 58 CG GLU A 7 6.352 5.610 -19.345 1.00 0.00 C ATOM 59 CD GLU A 7 6.415 6.900 -20.115 1.00 0.00 C ATOM 60 OE1 GLU A 7 5.632 7.054 -21.084 1.00 0.00 O ATOM 61 OE2 GLU A 7 7.254 7.764 -19.782 1.00 0.00 O ATOM 0 H GLU A 7 6.285 5.839 -16.098 1.00 0.00 H new ATOM 0 HA GLU A 7 5.200 7.665 -18.109 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.228 4.648 -17.806 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.248 5.454 -19.015 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.266 5.494 -18.762 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.311 4.775 -20.044 1.00 0.00 H new ATOM 68 N PHE A 8 3.576 7.149 -15.638 1.00 0.00 N ATOM 69 CA PHE A 8 2.291 7.375 -14.994 1.00 0.00 C ATOM 70 C PHE A 8 1.743 8.738 -15.404 1.00 0.00 C ATOM 71 O PHE A 8 2.468 9.545 -15.988 1.00 0.00 O ATOM 72 CB PHE A 8 2.420 7.275 -13.459 1.00 0.00 C ATOM 73 CG PHE A 8 2.436 5.851 -12.984 1.00 0.00 C ATOM 74 CD1 PHE A 8 3.491 4.995 -13.307 1.00 0.00 C ATOM 75 CD2 PHE A 8 1.399 5.349 -12.218 1.00 0.00 C ATOM 76 CE1 PHE A 8 3.508 3.687 -12.874 1.00 0.00 C ATOM 77 CE2 PHE A 8 1.405 4.035 -11.773 1.00 0.00 C ATOM 78 CZ PHE A 8 2.456 3.205 -12.105 1.00 0.00 C ATOM 0 H PHE A 8 4.383 7.236 -15.021 1.00 0.00 H new ATOM 0 HA PHE A 8 1.594 6.602 -15.319 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.335 7.773 -13.140 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.589 7.803 -12.991 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.309 5.365 -13.907 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.570 5.992 -11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.334 3.040 -13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.590 3.663 -11.169 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.461 2.179 -11.767 1.00 0.00 H new ATOM 88 N ALA A 9 0.482 9.001 -15.068 1.00 0.00 N ATOM 89 CA ALA A 9 -0.218 10.213 -15.506 1.00 0.00 C ATOM 90 C ALA A 9 0.583 11.490 -15.248 1.00 0.00 C ATOM 91 O ALA A 9 0.690 12.348 -16.124 1.00 0.00 O ATOM 92 CB ALA A 9 -1.578 10.299 -14.832 1.00 0.00 C ATOM 0 H ALA A 9 -0.085 8.384 -14.486 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.344 10.136 -16.586 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.091 11.202 -15.163 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.172 9.425 -15.099 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.447 10.332 -13.750 1.00 0.00 H new ATOM 98 N SER A 10 1.135 11.606 -14.067 1.00 0.00 N ATOM 99 CA SER A 10 1.948 12.766 -13.725 1.00 0.00 C ATOM 100 C SER A 10 3.381 12.335 -13.431 1.00 0.00 C ATOM 101 O SER A 10 4.210 13.118 -12.984 1.00 0.00 O ATOM 102 CB SER A 10 1.333 13.490 -12.512 1.00 0.00 C ATOM 103 OG SER A 10 2.051 14.681 -12.203 1.00 0.00 O ATOM 0 H SER A 10 1.042 10.917 -13.321 1.00 0.00 H new ATOM 0 HA SER A 10 1.968 13.455 -14.569 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.291 13.734 -12.721 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.337 12.825 -11.648 1.00 0.00 H new ATOM 0 HG SER A 10 2.522 14.567 -11.351 1.00 0.00 H new ATOM 109 N GLY A 11 3.680 11.071 -13.733 1.00 0.00 N ATOM 110 CA GLY A 11 5.020 10.530 -13.494 1.00 0.00 C ATOM 111 C GLY A 11 5.252 10.216 -12.021 1.00 0.00 C ATOM 112 O GLY A 11 5.535 9.070 -11.658 1.00 0.00 O ATOM 0 H GLY A 11 3.020 10.408 -14.140 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.156 9.624 -14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.767 11.247 -13.834 1.00 0.00 H new ATOM 116 N ASN A 12 5.123 11.240 -11.188 1.00 0.00 N ATOM 117 CA ASN A 12 5.273 11.115 -9.745 1.00 0.00 C ATOM 118 C ASN A 12 4.269 10.138 -9.164 1.00 0.00 C ATOM 119 O ASN A 12 4.465 9.610 -8.070 1.00 0.00 O ATOM 120 CB ASN A 12 5.144 12.470 -9.044 1.00 0.00 C ATOM 121 CG ASN A 12 3.765 13.085 -9.148 1.00 0.00 C ATOM 122 OD1 ASN A 12 3.456 13.789 -10.111 1.00 0.00 O ATOM 123 ND2 ASN A 12 2.946 12.859 -8.144 1.00 0.00 N ATOM 0 H ASN A 12 4.910 12.188 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 12 6.277 10.729 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.399 12.349 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.872 13.160 -9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.014 13.273 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.243 12.269 -7.366 1.00 0.00 H new ATOM 130 N THR A 13 3.164 9.909 -9.893 1.00 0.00 N ATOM 131 CA THR A 13 2.068 9.052 -9.445 1.00 0.00 C ATOM 132 C THR A 13 2.570 7.674 -8.992 1.00 0.00 C ATOM 133 O THR A 13 1.993 7.071 -8.101 1.00 0.00 O ATOM 134 CB THR A 13 1.073 8.851 -10.596 1.00 0.00 C ATOM 135 OG1 THR A 13 1.016 10.041 -11.407 1.00 0.00 O ATOM 136 CG2 THR A 13 -0.321 8.505 -10.067 1.00 0.00 C ATOM 0 H THR A 13 3.011 10.319 -10.815 1.00 0.00 H new ATOM 0 HA THR A 13 1.591 9.544 -8.598 1.00 0.00 H new ATOM 0 HB THR A 13 1.418 8.016 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.123 10.125 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.005 8.368 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.271 7.584 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.681 9.315 -9.433 1.00 0.00 H new ATOM 144 N TYR A 14 3.653 7.203 -9.592 1.00 0.00 N ATOM 145 CA TYR A 14 4.260 5.943 -9.205 1.00 0.00 C ATOM 146 C TYR A 14 4.749 6.020 -7.768 1.00 0.00 C ATOM 147 O TYR A 14 4.511 5.123 -6.959 1.00 0.00 O ATOM 148 CB TYR A 14 5.415 5.609 -10.149 1.00 0.00 C ATOM 149 CG TYR A 14 6.068 4.273 -9.877 1.00 0.00 C ATOM 150 CD1 TYR A 14 5.392 3.082 -10.171 1.00 0.00 C ATOM 151 CD2 TYR A 14 7.356 4.175 -9.351 1.00 0.00 C ATOM 152 CE1 TYR A 14 5.971 1.861 -9.926 1.00 0.00 C ATOM 153 CE2 TYR A 14 7.950 2.947 -9.116 1.00 0.00 C ATOM 154 CZ TYR A 14 7.243 1.799 -9.404 1.00 0.00 C ATOM 155 OH TYR A 14 7.829 0.566 -9.191 1.00 0.00 O ATOM 0 H TYR A 14 4.131 7.681 -10.355 1.00 0.00 H new ATOM 0 HA TYR A 14 3.515 5.151 -9.274 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.046 5.619 -11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.169 6.392 -10.074 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.400 3.125 -10.597 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.902 5.078 -9.122 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.430 0.952 -10.142 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.951 2.889 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 14 8.727 0.691 -8.820 1.00 0.00 H new ATOM 165 N ALA A 15 5.404 7.119 -7.441 1.00 0.00 N ATOM 166 CA ALA A 15 5.947 7.341 -6.109 1.00 0.00 C ATOM 167 C ALA A 15 4.845 7.461 -5.070 1.00 0.00 C ATOM 168 O ALA A 15 5.015 7.019 -3.938 1.00 0.00 O ATOM 169 CB ALA A 15 6.805 8.595 -6.116 1.00 0.00 C ATOM 0 H ALA A 15 5.576 7.886 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 15 6.558 6.480 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.212 8.763 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.623 8.472 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.196 9.451 -6.408 1.00 0.00 H new ATOM 175 N LEU A 16 3.724 8.042 -5.458 1.00 0.00 N ATOM 176 CA LEU A 16 2.615 8.215 -4.526 1.00 0.00 C ATOM 177 C LEU A 16 1.884 6.898 -4.329 1.00 0.00 C ATOM 178 O LEU A 16 1.231 6.672 -3.315 1.00 0.00 O ATOM 179 CB LEU A 16 1.669 9.345 -4.957 1.00 0.00 C ATOM 180 CG LEU A 16 0.887 9.159 -6.260 1.00 0.00 C ATOM 181 CD1 LEU A 16 -0.304 8.258 -6.086 1.00 0.00 C ATOM 182 CD2 LEU A 16 0.464 10.519 -6.804 1.00 0.00 C ATOM 0 H LEU A 16 3.554 8.399 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 16 3.026 8.519 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.950 9.505 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.256 10.259 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 16 1.545 8.671 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.826 8.157 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.029 7.276 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.979 8.686 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.092 10.383 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.168 11.023 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.349 11.125 -6.998 1.00 0.00 H new ATOM 194 N TYR A 17 1.957 6.031 -5.334 1.00 0.00 N ATOM 195 CA TYR A 17 1.417 4.696 -5.237 1.00 0.00 C ATOM 196 C TYR A 17 2.273 3.824 -4.332 1.00 0.00 C ATOM 197 O TYR A 17 1.782 3.211 -3.394 1.00 0.00 O ATOM 198 CB TYR A 17 1.280 4.076 -6.631 1.00 0.00 C ATOM 199 CG TYR A 17 0.760 2.654 -6.623 1.00 0.00 C ATOM 200 CD1 TYR A 17 -0.602 2.413 -6.443 1.00 0.00 C ATOM 201 CD2 TYR A 17 1.606 1.573 -6.767 1.00 0.00 C ATOM 202 CE1 TYR A 17 -1.087 1.118 -6.416 1.00 0.00 C ATOM 203 CE2 TYR A 17 1.129 0.262 -6.757 1.00 0.00 C ATOM 204 CZ TYR A 17 -0.226 0.053 -6.581 1.00 0.00 C ATOM 205 OH TYR A 17 -0.741 -1.227 -6.554 1.00 0.00 O ATOM 0 H TYR A 17 2.392 6.241 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 17 0.425 4.758 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.610 4.694 -7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.253 4.094 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.282 3.243 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.665 1.747 -6.891 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.142 0.940 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.804 -0.572 -6.884 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.017 -1.874 -6.685 1.00 0.00 H new ATOM 215 N VAL A 18 3.571 3.765 -4.628 1.00 0.00 N ATOM 216 CA VAL A 18 4.485 2.902 -3.886 1.00 0.00 C ATOM 217 C VAL A 18 4.471 3.190 -2.387 1.00 0.00 C ATOM 218 O VAL A 18 4.654 2.269 -1.585 1.00 0.00 O ATOM 219 CB VAL A 18 5.944 2.975 -4.413 1.00 0.00 C ATOM 220 CG1 VAL A 18 6.000 2.546 -5.866 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.544 4.358 -4.246 1.00 0.00 C ATOM 0 H VAL A 18 4.011 4.303 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 18 4.113 1.891 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 18 6.542 2.289 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.029 2.602 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.640 1.521 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.372 3.206 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.565 4.360 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.947 5.083 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.552 4.626 -3.190 1.00 0.00 H new ATOM 231 N ARG A 19 4.247 4.441 -1.995 1.00 0.00 N ATOM 232 CA ARG A 19 4.225 4.796 -0.582 1.00 0.00 C ATOM 233 C ARG A 19 3.050 4.136 0.141 1.00 0.00 C ATOM 234 O ARG A 19 3.020 4.047 1.366 1.00 0.00 O ATOM 235 CB ARG A 19 4.211 6.332 -0.394 1.00 0.00 C ATOM 236 CG ARG A 19 2.953 7.029 -0.910 1.00 0.00 C ATOM 237 CD ARG A 19 1.796 6.956 0.082 1.00 0.00 C ATOM 238 NE ARG A 19 1.957 7.862 1.220 1.00 0.00 N ATOM 239 CZ ARG A 19 1.935 7.484 2.509 1.00 0.00 C ATOM 240 NH1 ARG A 19 1.880 6.191 2.828 1.00 0.00 N ATOM 241 NH2 ARG A 19 2.018 8.392 3.467 1.00 0.00 N ATOM 0 H ARG A 19 4.079 5.220 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 19 5.141 4.415 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.324 6.555 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.078 6.754 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.181 8.074 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.649 6.573 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.866 7.194 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.704 5.934 0.449 1.00 0.00 H new ATOM 0 HE ARG A 19 2.096 8.852 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.854 5.485 2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.863 5.908 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.099 9.380 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.001 8.104 4.445 1.00 0.00 H new ATOM 255 N ASP A 20 2.077 3.675 -0.619 1.00 0.00 N ATOM 256 CA ASP A 20 0.914 3.020 -0.060 1.00 0.00 C ATOM 257 C ASP A 20 1.202 1.539 0.201 1.00 0.00 C ATOM 258 O ASP A 20 0.806 0.967 1.222 1.00 0.00 O ATOM 259 CB ASP A 20 -0.287 3.164 -1.010 1.00 0.00 C ATOM 260 CG ASP A 20 -1.491 2.379 -0.531 1.00 0.00 C ATOM 261 OD1 ASP A 20 -2.114 2.774 0.475 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.824 1.355 -1.174 1.00 0.00 O ATOM 0 H ASP A 20 2.071 3.744 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 20 0.674 3.499 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.554 4.217 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.004 2.821 -2.005 1.00 0.00 H new ATOM 267 N THR A 21 1.914 0.930 -0.727 1.00 0.00 N ATOM 268 CA THR A 21 2.235 -0.475 -0.631 1.00 0.00 C ATOM 269 C THR A 21 3.430 -0.725 0.287 1.00 0.00 C ATOM 270 O THR A 21 3.407 -1.653 1.104 1.00 0.00 O ATOM 271 CB THR A 21 2.549 -1.053 -2.020 1.00 0.00 C ATOM 272 OG1 THR A 21 1.449 -0.801 -2.905 1.00 0.00 O ATOM 273 CG2 THR A 21 2.806 -2.539 -1.958 1.00 0.00 C ATOM 0 H THR A 21 2.281 1.392 -1.559 1.00 0.00 H new ATOM 0 HA THR A 21 1.361 -0.970 -0.209 1.00 0.00 H new ATOM 0 HB THR A 21 3.451 -0.566 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.651 -1.168 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.024 -2.913 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.656 -2.734 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.923 -3.045 -1.567 1.00 0.00 H new ATOM 281 N LEU A 22 4.438 0.120 0.182 1.00 0.00 N ATOM 282 CA LEU A 22 5.654 -0.036 0.966 1.00 0.00 C ATOM 283 C LEU A 22 5.472 0.560 2.347 1.00 0.00 C ATOM 284 O LEU A 22 5.560 1.768 2.550 1.00 0.00 O ATOM 285 CB LEU A 22 6.840 0.609 0.250 1.00 0.00 C ATOM 286 CG LEU A 22 8.213 -0.011 0.526 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.635 0.205 1.963 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.207 -1.484 0.187 1.00 0.00 C ATOM 0 H LEU A 22 4.441 0.927 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 22 5.861 -1.100 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.655 0.569 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.877 1.662 0.528 1.00 0.00 H new ATOM 0 HG LEU A 22 8.941 0.489 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.613 -0.247 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.690 1.274 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.906 -0.256 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.191 -1.908 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.460 -1.994 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.966 -1.614 -0.868 1.00 0.00 H new ATOM 300 N GLN A 23 5.183 -0.308 3.306 1.00 0.00 N ATOM 301 CA GLN A 23 4.966 0.105 4.690 1.00 0.00 C ATOM 302 C GLN A 23 6.272 0.089 5.471 1.00 0.00 C ATOM 303 O GLN A 23 7.248 -0.551 5.058 1.00 0.00 O ATOM 304 CB GLN A 23 3.945 -0.829 5.364 1.00 0.00 C ATOM 305 CG GLN A 23 4.426 -2.245 5.481 1.00 0.00 C ATOM 306 CD GLN A 23 3.596 -3.054 6.462 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.606 -3.693 6.083 1.00 0.00 O ATOM 308 NE2 GLN A 23 3.984 -3.025 7.711 1.00 0.00 N ATOM 0 H GLN A 23 5.092 -1.312 3.151 1.00 0.00 H new ATOM 0 HA GLN A 23 4.577 1.123 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.714 -0.447 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.016 -0.814 4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.392 -2.720 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.468 -2.248 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.807 -2.484 7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.464 -3.543 8.419 1.00 0.00 H new ATOM 317 N PRO A 24 6.310 0.791 6.618 1.00 0.00 N ATOM 318 CA PRO A 24 7.484 0.828 7.506 1.00 0.00 C ATOM 319 C PRO A 24 7.963 -0.568 7.867 1.00 0.00 C ATOM 320 O PRO A 24 7.215 -1.375 8.420 1.00 0.00 O ATOM 321 CB PRO A 24 6.964 1.543 8.754 1.00 0.00 C ATOM 322 CG PRO A 24 5.837 2.383 8.271 1.00 0.00 C ATOM 323 CD PRO A 24 5.199 1.609 7.131 1.00 0.00 C ATOM 0 HA PRO A 24 8.336 1.322 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.631 0.830 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.742 2.152 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.117 2.567 9.069 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.193 3.356 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.370 0.991 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.802 2.275 6.365 1.00 0.00 H new ATOM 331 N GLY A 25 9.209 -0.841 7.554 1.00 0.00 N ATOM 332 CA GLY A 25 9.770 -2.143 7.828 1.00 0.00 C ATOM 333 C GLY A 25 10.089 -2.925 6.564 1.00 0.00 C ATOM 334 O GLY A 25 10.908 -3.826 6.592 1.00 0.00 O ATOM 0 H GLY A 25 9.850 -0.182 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.680 -2.025 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.069 -2.715 8.436 1.00 0.00 H new ATOM 338 N MET A 26 9.420 -2.574 5.464 1.00 0.00 N ATOM 339 CA MET A 26 9.615 -3.288 4.199 1.00 0.00 C ATOM 340 C MET A 26 10.926 -2.891 3.535 1.00 0.00 C ATOM 341 O MET A 26 11.392 -1.753 3.669 1.00 0.00 O ATOM 342 CB MET A 26 8.464 -3.057 3.235 1.00 0.00 C ATOM 343 CG MET A 26 7.162 -3.702 3.664 1.00 0.00 C ATOM 344 SD MET A 26 5.940 -3.705 2.339 1.00 0.00 S ATOM 345 CE MET A 26 4.700 -4.804 3.014 1.00 0.00 C ATOM 0 H MET A 26 8.746 -1.809 5.422 1.00 0.00 H new ATOM 0 HA MET A 26 9.650 -4.350 4.444 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.307 -1.984 3.124 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.742 -3.442 2.254 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.353 -4.727 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.760 -3.169 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.674 -5.725 2.431 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.946 -5.037 4.050 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.724 -4.320 2.973 1.00 0.00 H new ATOM 355 N ARG A 27 11.504 -3.835 2.815 1.00 0.00 N ATOM 356 CA ARG A 27 12.768 -3.619 2.113 1.00 0.00 C ATOM 357 C ARG A 27 12.575 -2.932 0.769 1.00 0.00 C ATOM 358 O ARG A 27 11.496 -2.958 0.174 1.00 0.00 O ATOM 359 CB ARG A 27 13.528 -4.926 1.920 1.00 0.00 C ATOM 360 CG ARG A 27 14.648 -5.139 2.926 1.00 0.00 C ATOM 361 CD ARG A 27 15.553 -6.284 2.508 1.00 0.00 C ATOM 362 NE ARG A 27 16.681 -6.447 3.422 1.00 0.00 N ATOM 363 CZ ARG A 27 17.258 -7.600 3.714 1.00 0.00 C ATOM 364 NH1 ARG A 27 16.843 -8.724 3.129 1.00 0.00 N ATOM 365 NH2 ARG A 27 18.296 -7.626 4.543 1.00 0.00 N ATOM 0 H ARG A 27 11.117 -4.771 2.697 1.00 0.00 H new ATOM 0 HA ARG A 27 13.358 -2.956 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.826 -5.757 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.947 -4.947 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.234 -4.225 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.223 -5.348 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.977 -7.209 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.926 -6.103 1.500 1.00 0.00 H new ATOM 0 HE ARG A 27 17.051 -5.608 3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.079 -8.696 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.290 -9.612 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.644 -6.759 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.744 -8.513 4.771 1.00 0.00 H new ATOM 379 N VAL A 28 13.663 -2.332 0.294 1.00 0.00 N ATOM 380 CA VAL A 28 13.665 -1.606 -0.967 1.00 0.00 C ATOM 381 C VAL A 28 14.966 -1.823 -1.728 1.00 0.00 C ATOM 382 O VAL A 28 16.003 -2.145 -1.125 1.00 0.00 O ATOM 383 CB VAL A 28 13.478 -0.070 -0.759 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.132 0.228 -0.090 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.644 0.493 0.040 1.00 0.00 C ATOM 0 H VAL A 28 14.564 -2.337 0.772 1.00 0.00 H new ATOM 0 HA VAL A 28 12.825 -1.998 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 28 13.469 0.422 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.023 1.304 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.323 -0.142 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.091 -0.266 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.505 1.565 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.689 0.003 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.574 0.315 -0.499 1.00 0.00 H new ATOM 395 N ARG A 29 14.916 -1.670 -3.041 1.00 0.00 N ATOM 396 CA ARG A 29 16.115 -1.755 -3.883 1.00 0.00 C ATOM 397 C ARG A 29 16.269 -0.492 -4.726 1.00 0.00 C ATOM 398 O ARG A 29 15.325 -0.039 -5.358 1.00 0.00 O ATOM 399 CB ARG A 29 16.051 -2.981 -4.797 1.00 0.00 C ATOM 400 CG ARG A 29 17.313 -3.164 -5.652 1.00 0.00 C ATOM 401 CD ARG A 29 17.236 -4.408 -6.522 1.00 0.00 C ATOM 402 NE ARG A 29 16.186 -4.345 -7.520 1.00 0.00 N ATOM 403 CZ ARG A 29 16.346 -4.653 -8.823 1.00 0.00 C ATOM 404 NH1 ARG A 29 17.547 -5.024 -9.264 1.00 0.00 N ATOM 405 NH2 ARG A 29 15.325 -4.591 -9.649 1.00 0.00 N ATOM 0 H ARG A 29 14.056 -1.485 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 29 16.980 -1.851 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.900 -3.873 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.185 -2.892 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.453 -2.287 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 18.185 -3.230 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.194 -4.554 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.072 -5.278 -5.886 1.00 0.00 H new ATOM 0 HE ARG A 29 15.260 -4.046 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.335 -5.073 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.679 -5.259 -10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.407 -4.309 -9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.451 -4.825 -10.634 1.00 0.00 H new ATOM 419 N MET A 30 17.469 0.064 -4.734 1.00 0.00 N ATOM 420 CA MET A 30 17.743 1.286 -5.488 1.00 0.00 C ATOM 421 C MET A 30 17.984 0.980 -6.958 1.00 0.00 C ATOM 422 O MET A 30 18.824 0.145 -7.305 1.00 0.00 O ATOM 423 CB MET A 30 18.955 1.992 -4.888 1.00 0.00 C ATOM 424 CG MET A 30 19.248 3.345 -5.522 1.00 0.00 C ATOM 425 SD MET A 30 17.900 4.526 -5.287 1.00 0.00 S ATOM 426 CE MET A 30 18.585 5.959 -6.105 1.00 0.00 C ATOM 0 H MET A 30 18.273 -0.308 -4.228 1.00 0.00 H new ATOM 0 HA MET A 30 16.873 1.939 -5.423 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.793 2.129 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.830 1.351 -4.999 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.163 3.753 -5.093 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.428 3.211 -6.589 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.284 6.861 -5.572 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.673 5.888 -6.113 1.00 0.00 H new ATOM 0 HE3 MET A 30 18.217 6.004 -7.130 1.00 0.00 H new ATOM 436 N LEU A 31 17.232 1.634 -7.828 1.00 0.00 N ATOM 437 CA LEU A 31 17.307 1.355 -9.258 1.00 0.00 C ATOM 438 C LEU A 31 18.267 2.278 -9.997 1.00 0.00 C ATOM 439 O LEU A 31 18.671 1.997 -11.137 1.00 0.00 O ATOM 440 CB LEU A 31 15.910 1.457 -9.901 1.00 0.00 C ATOM 441 CG LEU A 31 14.881 0.459 -9.362 1.00 0.00 C ATOM 442 CD1 LEU A 31 13.540 0.712 -10.002 1.00 0.00 C ATOM 443 CD2 LEU A 31 15.338 -0.971 -9.617 1.00 0.00 C ATOM 0 H LEU A 31 16.563 2.361 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 31 17.692 0.339 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.529 2.467 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.009 1.310 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 31 14.787 0.595 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.812 -0.001 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.213 1.726 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.624 0.594 -11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.594 -1.666 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.456 -1.130 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.292 -1.143 -9.118 1.00 0.00 H new ATOM 455 N ASP A 32 18.627 3.397 -9.375 1.00 0.00 N ATOM 456 CA ASP A 32 19.468 4.387 -10.030 1.00 0.00 C ATOM 457 C ASP A 32 20.671 4.748 -9.161 1.00 0.00 C ATOM 458 O ASP A 32 20.717 4.415 -7.984 1.00 0.00 O ATOM 459 CB ASP A 32 18.692 5.683 -10.322 1.00 0.00 C ATOM 460 CG ASP A 32 17.634 5.484 -11.382 1.00 0.00 C ATOM 461 OD1 ASP A 32 16.545 4.973 -11.072 1.00 0.00 O ATOM 462 OD2 ASP A 32 17.877 5.872 -12.547 1.00 0.00 O ATOM 0 H ASP A 32 18.350 3.638 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 32 19.801 3.938 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.223 6.039 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.388 6.457 -10.646 1.00 0.00 H new ATOM 467 N ASP A 33 21.655 5.398 -9.768 1.00 0.00 N ATOM 468 CA ASP A 33 22.810 5.911 -9.043 1.00 0.00 C ATOM 469 C ASP A 33 22.468 7.279 -8.470 1.00 0.00 C ATOM 470 O ASP A 33 22.084 8.182 -9.213 1.00 0.00 O ATOM 471 CB ASP A 33 24.036 6.016 -9.941 1.00 0.00 C ATOM 472 CG ASP A 33 25.285 6.385 -9.171 1.00 0.00 C ATOM 473 OD1 ASP A 33 25.965 5.475 -8.641 1.00 0.00 O ATOM 474 OD2 ASP A 33 25.607 7.589 -9.104 1.00 0.00 O ATOM 0 H ASP A 33 21.676 5.584 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 33 23.050 5.215 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.193 5.065 -10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.854 6.763 -10.713 1.00 0.00 H new ATOM 479 N TYR A 34 22.610 7.454 -7.170 1.00 0.00 N ATOM 480 CA TYR A 34 22.207 8.685 -6.524 1.00 0.00 C ATOM 481 C TYR A 34 23.128 8.995 -5.345 1.00 0.00 C ATOM 482 O TYR A 34 22.903 8.513 -4.221 1.00 0.00 O ATOM 483 CB TYR A 34 20.739 8.568 -6.085 1.00 0.00 C ATOM 484 CG TYR A 34 20.093 9.857 -5.613 1.00 0.00 C ATOM 485 CD1 TYR A 34 19.990 10.951 -6.474 1.00 0.00 C ATOM 486 CD2 TYR A 34 19.551 9.955 -4.348 1.00 0.00 C ATOM 487 CE1 TYR A 34 19.371 12.107 -6.059 1.00 0.00 C ATOM 488 CE2 TYR A 34 18.940 11.114 -3.922 1.00 0.00 C ATOM 489 CZ TYR A 34 18.854 12.198 -4.781 1.00 0.00 C ATOM 490 OH TYR A 34 18.214 13.347 -4.371 1.00 0.00 O ATOM 0 H TYR A 34 23.003 6.755 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 34 22.292 9.515 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.159 8.176 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.676 7.835 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.399 10.889 -7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.607 9.108 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.289 12.946 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 34 18.531 11.177 -2.925 1.00 0.00 H new ATOM 0 HH TYR A 34 17.911 13.240 -3.445 1.00 0.00 H new ATOM 500 N GLU A 35 24.168 9.780 -5.618 1.00 0.00 N ATOM 501 CA GLU A 35 25.118 10.200 -4.607 1.00 0.00 C ATOM 502 C GLU A 35 25.816 9.015 -3.946 1.00 0.00 C ATOM 503 O GLU A 35 26.581 8.287 -4.590 1.00 0.00 O ATOM 504 CB GLU A 35 24.437 11.080 -3.568 1.00 0.00 C ATOM 505 CG GLU A 35 23.924 12.394 -4.148 1.00 0.00 C ATOM 506 CD GLU A 35 25.017 13.189 -4.827 1.00 0.00 C ATOM 507 OE1 GLU A 35 25.878 13.767 -4.133 1.00 0.00 O ATOM 508 OE2 GLU A 35 25.029 13.221 -6.083 1.00 0.00 O ATOM 0 H GLU A 35 24.370 10.140 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 35 25.890 10.784 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.604 10.534 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 25.140 11.294 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 35 23.130 12.186 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 23.484 12.993 -3.351 1.00 0.00 H new ATOM 515 N GLU A 36 25.542 8.821 -2.668 1.00 0.00 N ATOM 516 CA GLU A 36 26.191 7.774 -1.886 1.00 0.00 C ATOM 517 C GLU A 36 25.623 6.409 -2.224 1.00 0.00 C ATOM 518 O GLU A 36 26.269 5.373 -1.996 1.00 0.00 O ATOM 519 CB GLU A 36 26.004 8.072 -0.400 1.00 0.00 C ATOM 520 CG GLU A 36 26.650 9.371 0.034 1.00 0.00 C ATOM 521 CD GLU A 36 26.214 9.816 1.402 1.00 0.00 C ATOM 522 OE1 GLU A 36 26.625 9.193 2.400 1.00 0.00 O ATOM 523 OE2 GLU A 36 25.484 10.816 1.485 1.00 0.00 O ATOM 0 H GLU A 36 24.869 9.379 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 36 27.254 7.760 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.938 8.111 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 36 26.423 7.252 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 36 27.733 9.252 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 36 26.409 10.150 -0.689 1.00 0.00 H new ATOM 530 N ILE A 37 24.429 6.391 -2.775 1.00 0.00 N ATOM 531 CA ILE A 37 23.763 5.148 -3.108 1.00 0.00 C ATOM 532 C ILE A 37 23.981 4.809 -4.571 1.00 0.00 C ATOM 533 O ILE A 37 24.004 5.700 -5.433 1.00 0.00 O ATOM 534 CB ILE A 37 22.250 5.228 -2.821 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.010 5.804 -1.423 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.598 3.873 -2.962 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.706 5.028 -0.312 1.00 0.00 C ATOM 0 H ILE A 37 23.895 7.229 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 37 24.194 4.366 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 37 21.795 5.892 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.354 6.838 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.938 5.821 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.531 3.959 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.741 3.504 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.050 3.176 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.490 5.495 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.345 4.000 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.782 5.033 -0.484 1.00 0.00 H new ATOM 549 N SER A 38 24.140 3.538 -4.857 1.00 0.00 N ATOM 550 CA SER A 38 24.385 3.072 -6.211 1.00 0.00 C ATOM 551 C SER A 38 23.252 2.182 -6.678 1.00 0.00 C ATOM 552 O SER A 38 22.509 1.637 -5.864 1.00 0.00 O ATOM 553 CB SER A 38 25.709 2.289 -6.256 1.00 0.00 C ATOM 554 OG SER A 38 26.772 3.052 -5.719 1.00 0.00 O ATOM 0 H SER A 38 24.104 2.794 -4.160 1.00 0.00 H new ATOM 0 HA SER A 38 24.448 3.936 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.605 1.360 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.938 2.015 -7.286 1.00 0.00 H new ATOM 0 HG SER A 38 27.601 2.531 -5.758 1.00 0.00 H new ATOM 560 N ALA A 39 23.095 2.053 -7.977 1.00 0.00 N ATOM 561 CA ALA A 39 22.085 1.173 -8.534 1.00 0.00 C ATOM 562 C ALA A 39 22.368 -0.245 -8.098 1.00 0.00 C ATOM 563 O ALA A 39 23.480 -0.753 -8.283 1.00 0.00 O ATOM 564 CB ALA A 39 22.049 1.287 -10.054 1.00 0.00 C ATOM 0 H ALA A 39 23.655 2.547 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 39 21.103 1.467 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.285 0.619 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.816 2.314 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 39 23.021 1.010 -10.463 1.00 0.00 H new ATOM 570 N GLY A 40 21.377 -0.897 -7.493 1.00 0.00 N ATOM 571 CA GLY A 40 21.568 -2.239 -6.988 1.00 0.00 C ATOM 572 C GLY A 40 21.670 -2.306 -5.481 1.00 0.00 C ATOM 573 O GLY A 40 21.579 -3.394 -4.896 1.00 0.00 O ATOM 0 H GLY A 40 20.443 -0.514 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.738 -2.864 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.475 -2.658 -7.425 1.00 0.00 H new ATOM 577 N ASP A 41 21.831 -1.162 -4.825 1.00 0.00 N ATOM 578 CA ASP A 41 21.856 -1.102 -3.368 1.00 0.00 C ATOM 579 C ASP A 41 20.502 -1.510 -2.801 1.00 0.00 C ATOM 580 O ASP A 41 19.466 -1.243 -3.418 1.00 0.00 O ATOM 581 CB ASP A 41 22.204 0.300 -2.861 1.00 0.00 C ATOM 582 CG ASP A 41 23.710 0.536 -2.725 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.430 -0.413 -2.333 1.00 0.00 O ATOM 584 OD2 ASP A 41 24.168 1.653 -2.998 1.00 0.00 O ATOM 0 H ASP A 41 21.947 -0.258 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 41 22.629 -1.793 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.787 1.040 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.729 0.457 -1.892 1.00 0.00 H new ATOM 589 N GLU A 42 20.498 -2.144 -1.645 1.00 0.00 N ATOM 590 CA GLU A 42 19.261 -2.581 -0.998 1.00 0.00 C ATOM 591 C GLU A 42 19.229 -2.112 0.450 1.00 0.00 C ATOM 592 O GLU A 42 20.279 -1.938 1.089 1.00 0.00 O ATOM 593 CB GLU A 42 19.120 -4.091 -1.060 1.00 0.00 C ATOM 594 CG GLU A 42 18.795 -4.645 -2.461 1.00 0.00 C ATOM 595 CD GLU A 42 18.618 -6.147 -2.454 1.00 0.00 C ATOM 596 OE1 GLU A 42 17.845 -6.675 -1.640 1.00 0.00 O ATOM 597 OE2 GLU A 42 19.263 -6.804 -3.297 1.00 0.00 O ATOM 0 H GLU A 42 21.344 -2.373 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 42 18.423 -2.136 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 20.047 -4.545 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.334 -4.399 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.885 -4.175 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.596 -4.378 -3.150 1.00 0.00 H new ATOM 604 N GLY A 43 18.035 -1.902 0.972 1.00 0.00 N ATOM 605 CA GLY A 43 17.884 -1.426 2.318 1.00 0.00 C ATOM 606 C GLY A 43 16.486 -1.614 2.853 1.00 0.00 C ATOM 607 O GLY A 43 15.643 -2.265 2.210 1.00 0.00 O ATOM 0 H GLY A 43 17.158 -2.057 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.589 -1.949 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.143 -0.368 2.355 1.00 0.00 H new ATOM 611 N GLU A 44 16.235 -1.048 3.999 1.00 0.00 N ATOM 612 CA GLU A 44 14.929 -1.175 4.646 1.00 0.00 C ATOM 613 C GLU A 44 14.294 0.203 4.849 1.00 0.00 C ATOM 614 O GLU A 44 14.998 1.162 5.150 1.00 0.00 O ATOM 615 CB GLU A 44 15.099 -1.880 5.988 1.00 0.00 C ATOM 616 CG GLU A 44 13.780 -2.237 6.649 1.00 0.00 C ATOM 617 CD GLU A 44 13.941 -2.873 8.020 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.641 -3.897 8.136 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.348 -2.341 8.973 1.00 0.00 O ATOM 0 H GLU A 44 16.911 -0.488 4.519 1.00 0.00 H new ATOM 0 HA GLU A 44 14.269 -1.763 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.682 -2.789 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.671 -1.238 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.175 -1.335 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.232 -2.922 6.002 1.00 0.00 H new ATOM 626 N PHE A 45 12.988 0.282 4.707 1.00 0.00 N ATOM 627 CA PHE A 45 12.288 1.540 4.860 1.00 0.00 C ATOM 628 C PHE A 45 11.956 1.769 6.340 1.00 0.00 C ATOM 629 O PHE A 45 11.218 1.003 6.949 1.00 0.00 O ATOM 630 CB PHE A 45 11.010 1.554 4.016 1.00 0.00 C ATOM 631 CG PHE A 45 10.101 2.716 4.291 1.00 0.00 C ATOM 632 CD1 PHE A 45 10.451 4.003 3.921 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.890 2.514 4.923 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.613 5.062 4.181 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.040 3.575 5.184 1.00 0.00 C ATOM 636 CZ PHE A 45 8.403 4.846 4.813 1.00 0.00 C ATOM 0 H PHE A 45 12.388 -0.512 4.485 1.00 0.00 H new ATOM 0 HA PHE A 45 12.932 2.347 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.285 1.565 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.462 0.629 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.393 4.178 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.602 1.516 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.900 6.062 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.095 3.404 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.743 5.677 5.015 1.00 0.00 H new ATOM 646 N ARG A 46 12.552 2.804 6.913 1.00 0.00 N ATOM 647 CA ARG A 46 12.370 3.102 8.338 1.00 0.00 C ATOM 648 C ARG A 46 11.099 3.895 8.593 1.00 0.00 C ATOM 649 O ARG A 46 10.230 3.466 9.354 1.00 0.00 O ATOM 650 CB ARG A 46 13.604 3.858 8.855 1.00 0.00 C ATOM 651 CG ARG A 46 14.866 3.024 8.924 1.00 0.00 C ATOM 652 CD ARG A 46 14.842 2.063 10.109 1.00 0.00 C ATOM 653 NE ARG A 46 13.938 0.923 9.922 1.00 0.00 N ATOM 654 CZ ARG A 46 12.964 0.604 10.788 1.00 0.00 C ATOM 655 NH1 ARG A 46 12.668 1.394 11.815 1.00 0.00 N ATOM 656 NH2 ARG A 46 12.285 -0.539 10.614 1.00 0.00 N ATOM 0 H ARG A 46 13.165 3.454 6.421 1.00 0.00 H new ATOM 0 HA ARG A 46 12.265 2.162 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.786 4.717 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.386 4.248 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.980 2.459 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.732 3.681 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.851 1.691 10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.544 2.610 11.004 1.00 0.00 H new ATOM 0 HE ARG A 46 14.056 0.343 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.185 2.262 11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.924 1.133 12.462 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.512 -1.153 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.542 -0.795 11.264 1.00 0.00 H new ATOM 670 N GLN A 47 10.973 5.038 7.922 1.00 0.00 N ATOM 671 CA GLN A 47 9.849 5.943 8.152 1.00 0.00 C ATOM 672 C GLN A 47 9.876 7.076 7.127 1.00 0.00 C ATOM 673 O GLN A 47 10.845 7.234 6.389 1.00 0.00 O ATOM 674 CB GLN A 47 9.837 6.522 9.582 1.00 0.00 C ATOM 675 CG GLN A 47 11.031 7.418 9.936 1.00 0.00 C ATOM 676 CD GLN A 47 12.229 6.626 10.427 1.00 0.00 C ATOM 677 OE1 GLN A 47 12.078 5.544 11.005 1.00 0.00 O ATOM 678 NE2 GLN A 47 13.405 7.163 10.241 1.00 0.00 N ATOM 0 H GLN A 47 11.635 5.359 7.215 1.00 0.00 H new ATOM 0 HA GLN A 47 8.935 5.360 8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.920 7.096 9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.802 5.695 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.318 7.998 9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.731 8.130 10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.486 8.058 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.242 6.687 10.578 1.00 0.00 H new ATOM 687 N SER A 48 8.797 7.850 7.086 1.00 0.00 N ATOM 688 CA SER A 48 8.682 8.965 6.152 1.00 0.00 C ATOM 689 C SER A 48 7.762 10.022 6.749 1.00 0.00 C ATOM 690 O SER A 48 7.167 9.806 7.804 1.00 0.00 O ATOM 691 CB SER A 48 8.150 8.469 4.816 1.00 0.00 C ATOM 692 OG SER A 48 6.995 7.673 4.995 1.00 0.00 O ATOM 0 H SER A 48 7.986 7.725 7.692 1.00 0.00 H new ATOM 0 HA SER A 48 9.662 9.409 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.915 9.319 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.920 7.890 4.306 1.00 0.00 H new ATOM 0 HG SER A 48 6.826 7.154 4.181 1.00 0.00 H new ATOM 698 N ASN A 49 7.637 11.156 6.085 1.00 0.00 N ATOM 699 CA ASN A 49 6.867 12.266 6.615 1.00 0.00 C ATOM 700 C ASN A 49 5.700 12.620 5.701 1.00 0.00 C ATOM 701 O ASN A 49 5.905 13.190 4.628 1.00 0.00 O ATOM 702 CB ASN A 49 7.760 13.477 6.817 1.00 0.00 C ATOM 703 CG ASN A 49 8.851 13.250 7.835 1.00 0.00 C ATOM 704 OD1 ASN A 49 8.701 13.566 9.016 1.00 0.00 O ATOM 705 ND2 ASN A 49 9.962 12.661 7.381 1.00 0.00 N ATOM 0 H ASN A 49 8.061 11.333 5.174 1.00 0.00 H new ATOM 0 HA ASN A 49 6.458 11.959 7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.213 13.749 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.148 14.322 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.729 12.456 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.043 12.417 6.394 1.00 0.00 H new ATOM 712 N ASN A 50 4.496 12.260 6.131 1.00 0.00 N ATOM 713 CA ASN A 50 3.256 12.610 5.420 1.00 0.00 C ATOM 714 C ASN A 50 3.248 12.083 3.983 1.00 0.00 C ATOM 715 O ASN A 50 2.858 10.942 3.723 1.00 0.00 O ATOM 716 CB ASN A 50 3.016 14.128 5.448 1.00 0.00 C ATOM 717 CG ASN A 50 2.977 14.702 6.855 1.00 0.00 C ATOM 718 OD1 ASN A 50 4.000 15.097 7.409 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.790 14.767 7.438 1.00 0.00 N ATOM 0 H ASN A 50 4.344 11.717 6.981 1.00 0.00 H new ATOM 0 HA ASN A 50 2.436 12.122 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.804 14.624 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.074 14.350 4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.704 15.155 8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.962 14.429 6.948 1.00 0.00 H new ATOM 726 N GLY A 51 3.665 12.917 3.046 1.00 0.00 N ATOM 727 CA GLY A 51 3.755 12.501 1.662 1.00 0.00 C ATOM 728 C GLY A 51 4.792 13.304 0.906 1.00 0.00 C ATOM 729 O GLY A 51 4.590 13.688 -0.250 1.00 0.00 O ATOM 0 H GLY A 51 3.945 13.882 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.009 11.442 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.783 12.617 1.182 1.00 0.00 H new ATOM 733 N VAL A 52 5.905 13.556 1.569 1.00 0.00 N ATOM 734 CA VAL A 52 6.955 14.373 0.993 1.00 0.00 C ATOM 735 C VAL A 52 7.863 13.541 0.097 1.00 0.00 C ATOM 736 O VAL A 52 8.104 12.361 0.369 1.00 0.00 O ATOM 737 CB VAL A 52 7.789 15.070 2.085 1.00 0.00 C ATOM 738 CG1 VAL A 52 6.914 15.998 2.914 1.00 0.00 C ATOM 739 CG2 VAL A 52 8.491 14.070 2.972 1.00 0.00 C ATOM 0 H VAL A 52 6.105 13.207 2.506 1.00 0.00 H new ATOM 0 HA VAL A 52 6.472 15.141 0.388 1.00 0.00 H new ATOM 0 HB VAL A 52 8.555 15.664 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.520 16.481 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.474 16.757 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.120 15.421 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.069 14.599 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.752 13.433 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.159 13.455 2.369 1.00 0.00 H new ATOM 749 N PRO A 53 8.344 14.141 -1.011 1.00 0.00 N ATOM 750 CA PRO A 53 9.260 13.482 -1.945 1.00 0.00 C ATOM 751 C PRO A 53 10.461 12.801 -1.255 1.00 0.00 C ATOM 752 O PRO A 53 10.788 11.668 -1.601 1.00 0.00 O ATOM 753 CB PRO A 53 9.749 14.614 -2.861 1.00 0.00 C ATOM 754 CG PRO A 53 8.766 15.728 -2.725 1.00 0.00 C ATOM 755 CD PRO A 53 8.001 15.509 -1.449 1.00 0.00 C ATOM 0 HA PRO A 53 8.751 12.676 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.748 14.941 -2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.811 14.276 -3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.278 16.690 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.089 15.747 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.280 16.244 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.928 15.611 -1.613 1.00 0.00 H new ATOM 763 N PRO A 54 11.150 13.479 -0.313 1.00 0.00 N ATOM 764 CA PRO A 54 12.240 12.860 0.435 1.00 0.00 C ATOM 765 C PRO A 54 11.740 11.727 1.327 1.00 0.00 C ATOM 766 O PRO A 54 10.715 11.854 2.013 1.00 0.00 O ATOM 767 CB PRO A 54 12.818 13.987 1.271 1.00 0.00 C ATOM 768 CG PRO A 54 11.722 14.993 1.370 1.00 0.00 C ATOM 769 CD PRO A 54 10.987 14.899 0.068 1.00 0.00 C ATOM 0 HA PRO A 54 12.978 12.408 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.119 13.633 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.704 14.413 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.063 14.777 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.120 15.996 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.936 15.168 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.410 15.568 -0.682 1.00 0.00 H new ATOM 777 N VAL A 55 12.463 10.618 1.322 1.00 0.00 N ATOM 778 CA VAL A 55 12.082 9.435 2.076 1.00 0.00 C ATOM 779 C VAL A 55 13.263 8.958 2.912 1.00 0.00 C ATOM 780 O VAL A 55 14.418 8.979 2.444 1.00 0.00 O ATOM 781 CB VAL A 55 11.596 8.293 1.136 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.657 7.920 0.116 1.00 0.00 C ATOM 783 CG2 VAL A 55 11.180 7.071 1.942 1.00 0.00 C ATOM 0 H VAL A 55 13.330 10.513 0.795 1.00 0.00 H new ATOM 0 HA VAL A 55 11.253 9.701 2.732 1.00 0.00 H new ATOM 0 HB VAL A 55 10.727 8.664 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.282 7.120 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.896 8.790 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.555 7.582 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.844 6.286 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.030 6.711 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.368 7.340 2.617 1.00 0.00 H new ATOM 793 N GLN A 56 12.996 8.523 4.133 1.00 0.00 N ATOM 794 CA GLN A 56 14.065 8.094 5.024 1.00 0.00 C ATOM 795 C GLN A 56 14.243 6.584 4.928 1.00 0.00 C ATOM 796 O GLN A 56 13.428 5.811 5.411 1.00 0.00 O ATOM 797 CB GLN A 56 13.755 8.502 6.464 1.00 0.00 C ATOM 798 CG GLN A 56 14.881 8.201 7.428 1.00 0.00 C ATOM 799 CD GLN A 56 16.075 9.110 7.219 1.00 0.00 C ATOM 800 OE1 GLN A 56 16.991 8.710 6.356 1.00 0.00 O flip ATOM 801 NE2 GLN A 56 16.181 10.171 7.839 1.00 0.00 N flip ATOM 0 H GLN A 56 12.058 8.457 4.528 1.00 0.00 H new ATOM 0 HA GLN A 56 14.993 8.580 4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.537 9.570 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.855 7.984 6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.520 8.309 8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.192 7.163 7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.455 10.451 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.994 10.769 7.692 1.00 0.00 H new ATOM 810 N VAL A 57 15.322 6.171 4.290 1.00 0.00 N ATOM 811 CA VAL A 57 15.591 4.764 4.057 1.00 0.00 C ATOM 812 C VAL A 57 16.920 4.369 4.668 1.00 0.00 C ATOM 813 O VAL A 57 17.893 5.133 4.610 1.00 0.00 O ATOM 814 CB VAL A 57 15.617 4.447 2.541 1.00 0.00 C ATOM 815 CG1 VAL A 57 15.962 2.994 2.291 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.279 4.786 1.918 1.00 0.00 C ATOM 0 H VAL A 57 16.035 6.799 3.919 1.00 0.00 H new ATOM 0 HA VAL A 57 14.789 4.194 4.526 1.00 0.00 H new ATOM 0 HB VAL A 57 16.391 5.059 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.973 2.802 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.945 2.776 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.217 2.356 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.306 4.560 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.496 4.196 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.070 5.847 2.059 1.00 0.00 H new ATOM 826 N PHE A 58 16.948 3.202 5.289 1.00 0.00 N ATOM 827 CA PHE A 58 18.189 2.657 5.804 1.00 0.00 C ATOM 828 C PHE A 58 18.814 1.740 4.766 1.00 0.00 C ATOM 829 O PHE A 58 18.278 0.682 4.471 1.00 0.00 O ATOM 830 CB PHE A 58 17.950 1.920 7.115 1.00 0.00 C ATOM 831 CG PHE A 58 19.195 1.271 7.661 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.228 2.048 8.179 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.336 -0.110 7.669 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.366 1.451 8.687 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.476 -0.706 8.174 1.00 0.00 C ATOM 836 CZ PHE A 58 21.499 0.082 8.683 1.00 0.00 C ATOM 0 H PHE A 58 16.128 2.617 5.448 1.00 0.00 H new ATOM 0 HA PHE A 58 18.880 3.475 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.558 2.620 7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.186 1.157 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.139 3.124 8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.543 -0.728 7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.158 2.065 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.571 -1.782 8.173 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.395 -0.377 9.074 1.00 0.00 H new ATOM 846 N TRP A 59 19.926 2.146 4.227 1.00 0.00 N ATOM 847 CA TRP A 59 20.578 1.359 3.210 1.00 0.00 C ATOM 848 C TRP A 59 21.567 0.419 3.866 1.00 0.00 C ATOM 849 O TRP A 59 22.575 0.850 4.420 1.00 0.00 O ATOM 850 CB TRP A 59 21.258 2.268 2.197 1.00 0.00 C ATOM 851 CG TRP A 59 20.272 3.104 1.430 1.00 0.00 C ATOM 852 CD1 TRP A 59 19.958 4.412 1.659 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.454 2.673 0.340 1.00 0.00 C ATOM 854 NE1 TRP A 59 18.996 4.824 0.760 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.667 3.768 -0.049 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.300 1.463 -0.340 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.752 3.703 -1.077 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.384 1.389 -1.367 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.623 2.509 -1.738 1.00 0.00 C ATOM 0 H TRP A 59 20.403 3.014 4.470 1.00 0.00 H new ATOM 0 HA TRP A 59 19.840 0.764 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.961 2.921 2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.838 1.663 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.396 5.031 2.428 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.596 5.761 0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.889 0.600 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.158 4.562 -1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.250 0.456 -1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 59 16.924 2.429 -2.558 1.00 0.00 H new ATOM 870 N GLU A 60 21.268 -0.874 3.786 1.00 0.00 N ATOM 871 CA GLU A 60 21.990 -1.895 4.519 1.00 0.00 C ATOM 872 C GLU A 60 23.358 -2.180 3.906 1.00 0.00 C ATOM 873 O GLU A 60 24.307 -2.517 4.608 1.00 0.00 O ATOM 874 CB GLU A 60 21.154 -3.171 4.606 1.00 0.00 C ATOM 875 CG GLU A 60 19.805 -2.971 5.273 1.00 0.00 C ATOM 876 CD GLU A 60 18.978 -4.240 5.299 1.00 0.00 C ATOM 877 OE1 GLU A 60 18.459 -4.647 4.240 1.00 0.00 O ATOM 878 OE2 GLU A 60 18.855 -4.831 6.386 1.00 0.00 O ATOM 0 H GLU A 60 20.513 -1.240 3.206 1.00 0.00 H new ATOM 0 HA GLU A 60 22.166 -1.519 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.998 -3.562 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 60 21.714 -3.925 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.956 -2.619 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.254 -2.193 4.745 1.00 0.00 H new ATOM 885 N SER A 61 23.450 -2.031 2.602 1.00 0.00 N ATOM 886 CA SER A 61 24.697 -2.234 1.891 1.00 0.00 C ATOM 887 C SER A 61 25.722 -1.162 2.255 1.00 0.00 C ATOM 888 O SER A 61 26.929 -1.408 2.309 1.00 0.00 O ATOM 889 CB SER A 61 24.430 -2.233 0.384 1.00 0.00 C ATOM 890 OG SER A 61 23.561 -1.179 0.036 1.00 0.00 O ATOM 0 H SER A 61 22.666 -1.767 2.005 1.00 0.00 H new ATOM 0 HA SER A 61 25.113 -3.198 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 61 25.370 -2.130 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.993 -3.186 0.086 1.00 0.00 H new ATOM 0 HG SER A 61 23.541 -1.080 -0.939 1.00 0.00 H new ATOM 896 N THR A 62 25.241 0.050 2.484 1.00 0.00 N ATOM 897 CA THR A 62 26.090 1.138 2.936 1.00 0.00 C ATOM 898 C THR A 62 26.241 1.092 4.455 1.00 0.00 C ATOM 899 O THR A 62 27.351 1.139 4.994 1.00 0.00 O ATOM 900 CB THR A 62 25.495 2.497 2.535 1.00 0.00 C ATOM 901 OG1 THR A 62 24.605 2.308 1.419 1.00 0.00 O ATOM 902 CG2 THR A 62 26.582 3.487 2.163 1.00 0.00 C ATOM 0 H THR A 62 24.261 0.305 2.363 1.00 0.00 H new ATOM 0 HA THR A 62 27.065 1.021 2.464 1.00 0.00 H new ATOM 0 HB THR A 62 24.950 2.904 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.220 3.171 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.128 4.438 1.884 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.245 3.637 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.156 3.098 1.322 1.00 0.00 H new ATOM 910 N GLY A 63 25.109 1.009 5.137 1.00 0.00 N ATOM 911 CA GLY A 63 25.085 0.862 6.569 1.00 0.00 C ATOM 912 C GLY A 63 24.621 2.124 7.271 1.00 0.00 C ATOM 913 O GLY A 63 24.734 2.251 8.488 1.00 0.00 O ATOM 0 H GLY A 63 24.185 1.042 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.425 0.037 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.082 0.599 6.921 1.00 0.00 H new ATOM 917 N ARG A 64 24.088 3.060 6.505 1.00 0.00 N ATOM 918 CA ARG A 64 23.612 4.316 7.052 1.00 0.00 C ATOM 919 C ARG A 64 22.259 4.660 6.469 1.00 0.00 C ATOM 920 O ARG A 64 21.844 4.093 5.448 1.00 0.00 O ATOM 921 CB ARG A 64 24.585 5.474 6.769 1.00 0.00 C ATOM 922 CG ARG A 64 25.884 5.399 7.557 1.00 0.00 C ATOM 923 CD ARG A 64 26.972 4.668 6.792 1.00 0.00 C ATOM 924 NE ARG A 64 27.374 5.395 5.585 1.00 0.00 N ATOM 925 CZ ARG A 64 28.427 5.062 4.846 1.00 0.00 C ATOM 926 NH1 ARG A 64 29.176 4.029 5.184 1.00 0.00 N ATOM 927 NH2 ARG A 64 28.706 5.770 3.753 1.00 0.00 N ATOM 0 H ARG A 64 23.974 2.971 5.495 1.00 0.00 H new ATOM 0 HA ARG A 64 23.536 4.186 8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.818 5.487 5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.088 6.417 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.223 6.407 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.704 4.892 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.839 4.529 7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.617 3.675 6.516 1.00 0.00 H new ATOM 0 HE ARG A 64 26.816 6.199 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.947 3.483 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.983 3.776 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.114 6.558 3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.512 5.524 3.178 1.00 0.00 H new ATOM 941 N THR A 65 21.557 5.585 7.119 1.00 0.00 N ATOM 942 CA THR A 65 20.283 6.053 6.628 1.00 0.00 C ATOM 943 C THR A 65 20.488 7.206 5.641 1.00 0.00 C ATOM 944 O THR A 65 21.454 7.954 5.749 1.00 0.00 O ATOM 945 CB THR A 65 19.376 6.522 7.777 1.00 0.00 C ATOM 946 OG1 THR A 65 20.159 7.163 8.795 1.00 0.00 O ATOM 947 CG2 THR A 65 18.611 5.352 8.369 1.00 0.00 C ATOM 0 H THR A 65 21.859 6.021 7.990 1.00 0.00 H new ATOM 0 HA THR A 65 19.797 5.218 6.123 1.00 0.00 H new ATOM 0 HB THR A 65 18.658 7.238 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.572 7.459 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.975 5.706 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.993 4.894 7.597 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.315 4.615 8.755 1.00 0.00 H new ATOM 955 N TYR A 66 19.599 7.333 4.686 1.00 0.00 N ATOM 956 CA TYR A 66 19.716 8.385 3.678 1.00 0.00 C ATOM 957 C TYR A 66 18.331 8.831 3.235 1.00 0.00 C ATOM 958 O TYR A 66 17.380 8.052 3.238 1.00 0.00 O ATOM 959 CB TYR A 66 20.547 7.887 2.489 1.00 0.00 C ATOM 960 CG TYR A 66 20.758 8.928 1.411 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.403 10.118 1.694 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.322 8.713 0.116 1.00 0.00 C ATOM 963 CE1 TYR A 66 21.609 11.067 0.716 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.517 9.655 -0.871 1.00 0.00 C ATOM 965 CZ TYR A 66 21.167 10.838 -0.572 1.00 0.00 C ATOM 966 OH TYR A 66 21.367 11.767 -1.544 1.00 0.00 O ATOM 0 H TYR A 66 18.785 6.728 4.577 1.00 0.00 H new ATOM 0 HA TYR A 66 20.229 9.244 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.519 7.552 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 66 20.054 7.019 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 66 21.751 10.307 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.819 7.789 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.116 11.990 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.163 9.470 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 66 20.708 11.640 -2.258 1.00 0.00 H new ATOM 976 N TRP A 67 18.227 10.097 2.883 1.00 0.00 N ATOM 977 CA TRP A 67 16.999 10.641 2.337 1.00 0.00 C ATOM 978 C TRP A 67 17.058 10.542 0.828 1.00 0.00 C ATOM 979 O TRP A 67 17.904 11.170 0.179 1.00 0.00 O ATOM 980 CB TRP A 67 16.826 12.115 2.754 1.00 0.00 C ATOM 981 CG TRP A 67 16.877 12.351 4.234 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.806 12.455 5.068 1.00 0.00 C ATOM 983 CD2 TRP A 67 18.049 12.505 5.050 1.00 0.00 C ATOM 984 NE1 TRP A 67 16.245 12.662 6.368 1.00 0.00 N ATOM 985 CE2 TRP A 67 17.610 12.682 6.376 1.00 0.00 C ATOM 986 CE3 TRP A 67 19.423 12.485 4.795 1.00 0.00 C ATOM 987 CZ2 TRP A 67 18.492 12.860 7.439 1.00 0.00 C ATOM 988 CZ3 TRP A 67 20.299 12.648 5.856 1.00 0.00 C ATOM 989 CH2 TRP A 67 19.830 12.848 7.160 1.00 0.00 C ATOM 0 H TRP A 67 18.985 10.774 2.966 1.00 0.00 H new ATOM 0 HA TRP A 67 16.150 10.075 2.721 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.606 12.709 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.871 12.478 2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.772 12.387 4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 67 15.645 12.780 7.185 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.795 12.345 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 18.132 13.002 8.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 21.363 12.620 5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 67 20.539 12.996 7.961 1.00 0.00 H new ATOM 1000 N VAL A 68 16.162 9.741 0.258 1.00 0.00 N ATOM 1001 CA VAL A 68 16.087 9.568 -1.179 1.00 0.00 C ATOM 1002 C VAL A 68 14.777 10.144 -1.678 1.00 0.00 C ATOM 1003 O VAL A 68 14.012 10.674 -0.883 1.00 0.00 O ATOM 1004 CB VAL A 68 16.164 8.061 -1.528 1.00 0.00 C ATOM 1005 CG1 VAL A 68 16.641 7.851 -2.960 1.00 0.00 C ATOM 1006 CG2 VAL A 68 17.042 7.297 -0.561 1.00 0.00 C ATOM 0 H VAL A 68 15.474 9.199 0.781 1.00 0.00 H new ATOM 0 HA VAL A 68 16.920 10.085 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 68 15.153 7.665 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.685 6.784 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.947 8.332 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.633 8.287 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.066 6.245 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.053 7.704 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.640 7.391 0.448 1.00 0.00 H new ATOM 1016 N HIS A 69 14.516 10.086 -2.973 1.00 0.00 N ATOM 1017 CA HIS A 69 13.192 10.397 -3.487 1.00 0.00 C ATOM 1018 C HIS A 69 12.481 9.094 -3.818 1.00 0.00 C ATOM 1019 O HIS A 69 13.093 8.185 -4.389 1.00 0.00 O ATOM 1020 CB HIS A 69 13.285 11.310 -4.714 1.00 0.00 C ATOM 1021 CG HIS A 69 13.726 12.705 -4.392 1.00 0.00 C ATOM 1022 ND1 HIS A 69 12.943 13.809 -4.545 1.00 0.00 N ATOM 1023 CD2 HIS A 69 14.917 13.177 -3.915 1.00 0.00 C ATOM 1024 CE1 HIS A 69 13.577 14.896 -4.180 1.00 0.00 C ATOM 1025 NE2 HIS A 69 14.782 14.545 -3.792 1.00 0.00 N ATOM 0 H HIS A 69 15.199 9.828 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 69 12.620 10.936 -2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 69 13.982 10.874 -5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.311 11.349 -5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.794 12.592 -3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.180 15.900 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.503 15.182 -3.454 1.00 0.00 H new ATOM 1034 N TRP A 70 11.206 8.996 -3.438 1.00 0.00 N ATOM 1035 CA TRP A 70 10.425 7.759 -3.568 1.00 0.00 C ATOM 1036 C TRP A 70 10.612 7.067 -4.920 1.00 0.00 C ATOM 1037 O TRP A 70 10.833 5.858 -4.982 1.00 0.00 O ATOM 1038 CB TRP A 70 8.937 8.031 -3.349 1.00 0.00 C ATOM 1039 CG TRP A 70 8.578 8.412 -1.948 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.490 9.673 -1.446 1.00 0.00 C ATOM 1041 CD2 TRP A 70 8.233 7.530 -0.875 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.127 9.627 -0.117 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.977 8.325 0.253 1.00 0.00 C ATOM 1044 CE3 TRP A 70 8.142 6.137 -0.744 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.611 7.788 1.477 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 7.786 5.596 0.474 1.00 0.00 C ATOM 1047 CH2 TRP A 70 7.513 6.420 1.569 1.00 0.00 C ATOM 0 H TRP A 70 10.683 9.771 -3.031 1.00 0.00 H new ATOM 0 HA TRP A 70 10.803 7.087 -2.797 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.623 8.829 -4.021 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.373 7.141 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.677 10.577 -2.006 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.993 10.436 0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 70 8.348 5.495 -1.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.410 8.422 2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 7.718 4.524 0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.219 5.973 2.507 1.00 0.00 H new ATOM 1058 N HIS A 71 10.542 7.832 -6.012 1.00 0.00 N ATOM 1059 CA HIS A 71 10.543 7.212 -7.334 1.00 0.00 C ATOM 1060 C HIS A 71 11.913 6.678 -7.742 1.00 0.00 C ATOM 1061 O HIS A 71 12.071 6.169 -8.840 1.00 0.00 O ATOM 1062 CB HIS A 71 10.016 8.199 -8.404 1.00 0.00 C ATOM 1063 CG HIS A 71 10.937 9.323 -8.779 1.00 0.00 C ATOM 1064 ND1 HIS A 71 12.176 9.320 -9.351 1.00 0.00 N flip ATOM 1065 CD2 HIS A 71 10.599 10.651 -8.631 1.00 0.00 C flip ATOM 1066 CE1 HIS A 71 12.543 10.617 -9.532 1.00 0.00 C flip ATOM 1067 NE2 HIS A 71 11.579 11.406 -9.093 1.00 0.00 N flip ATOM 0 H HIS A 71 10.486 8.850 -6.008 1.00 0.00 H new ATOM 0 HA HIS A 71 9.873 6.355 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.781 7.633 -9.306 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.081 8.628 -8.044 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.677 11.017 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.475 10.949 -9.966 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.590 12.426 -9.108 1.00 0.00 H new ATOM 1076 N MET A 72 12.911 6.831 -6.883 1.00 0.00 N ATOM 1077 CA MET A 72 14.248 6.326 -7.172 1.00 0.00 C ATOM 1078 C MET A 72 14.386 4.861 -6.803 1.00 0.00 C ATOM 1079 O MET A 72 15.239 4.141 -7.344 1.00 0.00 O ATOM 1080 CB MET A 72 15.304 7.132 -6.422 1.00 0.00 C ATOM 1081 CG MET A 72 15.601 8.501 -7.028 1.00 0.00 C ATOM 1082 SD MET A 72 16.299 8.337 -8.679 1.00 0.00 S ATOM 1083 CE MET A 72 16.846 10.025 -8.983 1.00 0.00 C ATOM 0 H MET A 72 12.822 7.300 -5.982 1.00 0.00 H new ATOM 0 HA MET A 72 14.402 6.431 -8.246 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.976 7.268 -5.392 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.228 6.555 -6.389 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.684 9.089 -7.073 1.00 0.00 H new ATOM 0 HG3 MET A 72 16.296 9.043 -6.387 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.303 10.087 -9.971 1.00 0.00 H new ATOM 0 HE2 MET A 72 15.991 10.699 -8.936 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.577 10.312 -8.227 1.00 0.00 H new ATOM 1093 N LEU A 73 13.553 4.404 -5.881 1.00 0.00 N ATOM 1094 CA LEU A 73 13.705 3.067 -5.327 1.00 0.00 C ATOM 1095 C LEU A 73 12.552 2.157 -5.760 1.00 0.00 C ATOM 1096 O LEU A 73 11.446 2.591 -6.028 1.00 0.00 O ATOM 1097 CB LEU A 73 13.806 3.149 -3.799 1.00 0.00 C ATOM 1098 CG LEU A 73 12.738 3.991 -3.093 1.00 0.00 C ATOM 1099 CD1 LEU A 73 11.439 3.195 -2.860 1.00 0.00 C ATOM 1100 CD2 LEU A 73 13.278 4.529 -1.780 1.00 0.00 C ATOM 0 H LEU A 73 12.769 4.935 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 73 14.625 2.628 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.763 2.136 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.785 3.553 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 73 12.491 4.828 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.709 3.829 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.036 2.867 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.652 2.325 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.510 5.126 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.560 3.697 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.152 5.151 -1.974 1.00 0.00 H new ATOM 1112 N GLU A 74 12.881 0.869 -5.833 1.00 0.00 N ATOM 1113 CA GLU A 74 11.910 -0.179 -6.140 1.00 0.00 C ATOM 1114 C GLU A 74 11.474 -0.839 -4.834 1.00 0.00 C ATOM 1115 O GLU A 74 12.307 -1.083 -3.952 1.00 0.00 O ATOM 1116 CB GLU A 74 12.551 -1.203 -7.079 1.00 0.00 C ATOM 1117 CG GLU A 74 11.663 -2.399 -7.378 1.00 0.00 C ATOM 1118 CD GLU A 74 12.322 -3.367 -8.330 1.00 0.00 C ATOM 1119 OE1 GLU A 74 13.297 -4.036 -7.930 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.869 -3.462 -9.489 1.00 0.00 O ATOM 0 H GLU A 74 13.828 0.522 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 74 11.035 0.242 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.810 -0.711 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.483 -1.555 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.421 -2.913 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.722 -2.054 -7.805 1.00 0.00 H new ATOM 1127 N ILE A 75 10.190 -1.146 -4.716 1.00 0.00 N ATOM 1128 CA ILE A 75 9.679 -1.734 -3.509 1.00 0.00 C ATOM 1129 C ILE A 75 9.972 -3.229 -3.495 1.00 0.00 C ATOM 1130 O ILE A 75 9.428 -3.990 -4.290 1.00 0.00 O ATOM 1131 CB ILE A 75 8.162 -1.471 -3.330 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.371 -1.924 -4.565 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.918 0.008 -3.058 1.00 0.00 C ATOM 1134 CD1 ILE A 75 5.868 -1.880 -4.355 1.00 0.00 C ATOM 0 H ILE A 75 9.493 -0.994 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 75 10.185 -1.261 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 75 7.813 -2.053 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.633 -1.288 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.666 -2.940 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.849 0.184 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.442 0.302 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.287 0.598 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.364 -2.211 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.597 -2.537 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.563 -0.860 -4.122 1.00 0.00 H new ATOM 1146 N LEU A 76 10.838 -3.641 -2.592 1.00 0.00 N ATOM 1147 CA LEU A 76 11.277 -5.024 -2.547 1.00 0.00 C ATOM 1148 C LEU A 76 10.306 -5.864 -1.721 1.00 0.00 C ATOM 1149 O LEU A 76 10.087 -7.030 -2.010 1.00 0.00 O ATOM 1150 CB LEU A 76 12.689 -5.094 -1.962 1.00 0.00 C ATOM 1151 CG LEU A 76 13.358 -6.479 -2.021 1.00 0.00 C ATOM 1152 CD1 LEU A 76 13.505 -6.962 -3.461 1.00 0.00 C ATOM 1153 CD2 LEU A 76 14.713 -6.432 -1.324 1.00 0.00 C ATOM 0 H LEU A 76 11.252 -3.040 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 76 11.295 -5.429 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.320 -4.381 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.650 -4.772 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 76 12.719 -7.192 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.981 -7.943 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.520 -7.033 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.119 -6.256 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.180 -7.416 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.353 -5.703 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.576 -6.144 -0.282 1.00 0.00 H new ATOM 1165 N GLY A 77 9.723 -5.248 -0.705 1.00 0.00 N ATOM 1166 CA GLY A 77 8.694 -5.908 0.068 1.00 0.00 C ATOM 1167 C GLY A 77 9.222 -6.489 1.373 1.00 0.00 C ATOM 1168 O GLY A 77 10.404 -6.350 1.706 1.00 0.00 O ATOM 0 H GLY A 77 9.945 -4.300 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.898 -5.197 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.253 -6.707 -0.529 1.00 0.00 H new ATOM 1172 N PHE A 78 8.331 -7.169 2.092 1.00 0.00 N ATOM 1173 CA PHE A 78 8.654 -7.773 3.374 1.00 0.00 C ATOM 1174 C PHE A 78 7.448 -8.540 3.867 1.00 0.00 C ATOM 1175 O PHE A 78 6.323 -8.075 3.725 1.00 0.00 O ATOM 1176 CB PHE A 78 9.030 -6.697 4.405 1.00 0.00 C ATOM 1177 CG PHE A 78 9.980 -7.184 5.457 1.00 0.00 C ATOM 1178 CD1 PHE A 78 10.961 -8.117 5.142 1.00 0.00 C ATOM 1179 CD2 PHE A 78 9.919 -6.706 6.748 1.00 0.00 C ATOM 1180 CE1 PHE A 78 11.855 -8.561 6.105 1.00 0.00 C ATOM 1181 CE2 PHE A 78 10.813 -7.129 7.712 1.00 0.00 C ATOM 1182 CZ PHE A 78 11.781 -8.055 7.389 1.00 0.00 C ATOM 0 H PHE A 78 7.365 -7.314 1.798 1.00 0.00 H new ATOM 0 HA PHE A 78 9.506 -8.441 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.478 -5.849 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.122 -6.333 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.028 -8.501 4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.157 -5.987 7.011 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.604 -9.297 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 78 10.754 -6.735 8.716 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.483 -8.386 8.140 1.00 0.00 H new ATOM 1192 N GLU A 79 7.683 -9.734 4.423 1.00 0.00 N ATOM 1193 CA GLU A 79 6.602 -10.544 4.962 1.00 0.00 C ATOM 1194 C GLU A 79 6.102 -9.956 6.279 1.00 0.00 C ATOM 1195 O GLU A 79 6.131 -10.601 7.328 1.00 0.00 O ATOM 1196 CB GLU A 79 7.093 -11.986 5.179 1.00 0.00 C ATOM 1197 CG GLU A 79 8.399 -12.081 5.951 1.00 0.00 C ATOM 1198 CD GLU A 79 8.805 -13.497 6.253 1.00 0.00 C ATOM 1199 OE1 GLU A 79 8.196 -14.111 7.144 1.00 0.00 O ATOM 1200 OE2 GLU A 79 9.752 -13.992 5.609 1.00 0.00 O ATOM 0 H GLU A 79 8.609 -10.153 4.508 1.00 0.00 H new ATOM 0 HA GLU A 79 5.776 -10.550 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.325 -12.545 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.220 -12.466 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.189 -11.598 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.302 -11.530 6.886 1.00 0.00 H new ATOM 1207 N GLU A 80 5.675 -8.683 6.205 1.00 0.00 N ATOM 1208 CA GLU A 80 5.152 -7.933 7.358 1.00 0.00 C ATOM 1209 C GLU A 80 6.264 -7.529 8.332 1.00 0.00 C ATOM 1210 O GLU A 80 6.250 -6.417 8.865 1.00 0.00 O ATOM 1211 CB GLU A 80 4.077 -8.735 8.070 1.00 0.00 C ATOM 1212 CG GLU A 80 3.360 -8.017 9.213 1.00 0.00 C ATOM 1213 CD GLU A 80 2.425 -8.937 9.958 1.00 0.00 C ATOM 1214 OE1 GLU A 80 1.488 -9.460 9.343 1.00 0.00 O ATOM 1215 OE2 GLU A 80 2.636 -9.135 11.164 1.00 0.00 O ATOM 0 H GLU A 80 5.684 -8.144 5.339 1.00 0.00 H new ATOM 0 HA GLU A 80 4.709 -7.013 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.333 -9.042 7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.530 -9.645 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.097 -7.611 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.797 -7.173 8.815 1.00 0.00 H new TER 1222 GLU A 80