USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 633 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 TYR OH : rot -34:sc= 0.236 USER MOD Set 1.2: A 73 SER OG : rot 80:sc= 0.515 USER MOD Set 2.1: A 39 ASN : amide:sc= 0.402 K(o=0.85,f=-2.6) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -144:sc= 0.448 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.8!) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00768) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0731 K(o=-0.073,f=-3.1!) USER MOD Single : A 27 MET CE :methyl -177:sc= -0.969 (180deg=-0.983) USER MOD Single : A 33 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.47) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= 0.543 (180deg=-0.379) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.422 (180deg=0.167) USER MOD Single : A 41 MET CE :methyl 161:sc= -1.05 (180deg=-1.94!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.039 (180deg=-0.291) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc=-0.00622 (180deg=-0.122) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0097 (180deg=-0.124) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00871) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.557 (180deg=-2.23!) USER MOD Single : A 75 SER OG : rot -9:sc= 0.899 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -8.008 -12.538 3.325 1.00 15.40 N ATOM 29 CA PRO A 4 -7.205 -11.350 2.915 1.00 42.33 C ATOM 30 C PRO A 4 -7.814 -10.609 1.704 1.00 71.04 C ATOM 31 O PRO A 4 -7.712 -9.391 1.609 1.00 74.43 O ATOM 32 CB PRO A 4 -5.820 -11.948 2.569 1.00 1.22 C ATOM 33 CG PRO A 4 -5.740 -13.207 3.384 1.00 75.44 C ATOM 34 CD PRO A 4 -7.152 -13.759 3.418 1.00 63.12 C ATOM 0 HA PRO A 4 -7.164 -10.596 3.701 1.00 42.33 H new ATOM 0 HB2 PRO A 4 -5.734 -12.159 1.503 1.00 1.22 H new ATOM 0 HB3 PRO A 4 -5.015 -11.259 2.824 1.00 1.22 H new ATOM 0 HG2 PRO A 4 -5.050 -13.922 2.935 1.00 75.44 H new ATOM 0 HG3 PRO A 4 -5.375 -13.000 4.390 1.00 75.44 H new ATOM 0 HD2 PRO A 4 -7.336 -14.442 2.588 1.00 63.12 H new ATOM 0 HD3 PRO A 4 -7.344 -14.314 4.336 1.00 63.12 H new ATOM 42 N ASP A 5 -8.460 -11.381 0.807 1.00 73.21 N ATOM 43 CA ASP A 5 -9.166 -10.862 -0.390 1.00 12.45 C ATOM 44 C ASP A 5 -10.312 -9.912 0.020 1.00 44.02 C ATOM 45 O ASP A 5 -10.490 -8.833 -0.561 1.00 41.13 O ATOM 46 CB ASP A 5 -9.734 -12.055 -1.207 1.00 31.41 C ATOM 47 CG ASP A 5 -10.311 -11.659 -2.583 1.00 21.33 C ATOM 48 OD1 ASP A 5 -11.483 -11.227 -2.664 1.00 14.20 O ATOM 49 OD2 ASP A 5 -9.598 -11.801 -3.597 1.00 30.32 O ATOM 0 H ASP A 5 -8.509 -12.396 0.891 1.00 73.21 H new ATOM 0 HA ASP A 5 -8.460 -10.300 -1.001 1.00 12.45 H new ATOM 0 HB2 ASP A 5 -8.943 -12.790 -1.355 1.00 31.41 H new ATOM 0 HB3 ASP A 5 -10.516 -12.541 -0.624 1.00 31.41 H new ATOM 54 N GLU A 6 -11.083 -10.351 1.032 1.00 61.30 N ATOM 55 CA GLU A 6 -12.209 -9.587 1.594 1.00 20.03 C ATOM 56 C GLU A 6 -11.694 -8.382 2.401 1.00 54.32 C ATOM 57 O GLU A 6 -12.332 -7.326 2.431 1.00 51.14 O ATOM 58 CB GLU A 6 -13.077 -10.505 2.486 1.00 24.44 C ATOM 59 CG GLU A 6 -13.680 -11.719 1.747 1.00 43.12 C ATOM 60 CD GLU A 6 -14.474 -12.648 2.679 1.00 53.43 C ATOM 61 OE1 GLU A 6 -15.663 -12.375 2.937 1.00 31.32 O ATOM 62 OE2 GLU A 6 -13.913 -13.650 3.168 1.00 12.52 O ATOM 0 H GLU A 6 -10.940 -11.253 1.485 1.00 61.30 H new ATOM 0 HA GLU A 6 -12.822 -9.212 0.775 1.00 20.03 H new ATOM 0 HB2 GLU A 6 -12.470 -10.864 3.317 1.00 24.44 H new ATOM 0 HB3 GLU A 6 -13.887 -9.915 2.915 1.00 24.44 H new ATOM 0 HG2 GLU A 6 -14.334 -11.365 0.950 1.00 43.12 H new ATOM 0 HG3 GLU A 6 -12.878 -12.286 1.273 1.00 43.12 H new ATOM 69 N ASN A 7 -10.521 -8.549 3.040 1.00 15.41 N ATOM 70 CA ASN A 7 -9.887 -7.489 3.845 1.00 51.32 C ATOM 71 C ASN A 7 -9.421 -6.338 2.926 1.00 25.23 C ATOM 72 O ASN A 7 -9.534 -5.167 3.287 1.00 45.34 O ATOM 73 CB ASN A 7 -8.716 -8.066 4.686 1.00 61.03 C ATOM 74 CG ASN A 7 -8.264 -7.138 5.822 1.00 15.41 C ATOM 75 OD1 ASN A 7 -9.031 -6.314 6.328 1.00 63.33 O ATOM 76 ND2 ASN A 7 -7.037 -7.302 6.269 1.00 13.14 N ATOM 0 H ASN A 7 -9.988 -9.419 3.013 1.00 15.41 H new ATOM 0 HA ASN A 7 -10.618 -7.085 4.545 1.00 51.32 H new ATOM 0 HB2 ASN A 7 -9.020 -9.024 5.109 1.00 61.03 H new ATOM 0 HB3 ASN A 7 -7.869 -8.262 4.029 1.00 61.03 H new ATOM 0 HD21 ASN A 7 -6.700 -6.741 7.051 1.00 13.14 H new ATOM 0 HD22 ASN A 7 -6.423 -7.990 5.833 1.00 13.14 H new ATOM 83 N ILE A 8 -8.948 -6.712 1.714 1.00 61.43 N ATOM 84 CA ILE A 8 -8.616 -5.772 0.621 1.00 51.13 C ATOM 85 C ILE A 8 -9.840 -4.912 0.254 1.00 55.23 C ATOM 86 O ILE A 8 -9.714 -3.702 0.095 1.00 21.33 O ATOM 87 CB ILE A 8 -8.095 -6.554 -0.655 1.00 4.40 C ATOM 88 CG1 ILE A 8 -6.696 -7.188 -0.373 1.00 53.32 C ATOM 89 CG2 ILE A 8 -8.067 -5.663 -1.927 1.00 22.02 C ATOM 90 CD1 ILE A 8 -6.191 -8.142 -1.451 1.00 62.14 C ATOM 0 H ILE A 8 -8.785 -7.688 1.466 1.00 61.43 H new ATOM 0 HA ILE A 8 -7.821 -5.115 0.972 1.00 51.13 H new ATOM 0 HB ILE A 8 -8.805 -7.356 -0.857 1.00 4.40 H new ATOM 0 HG12 ILE A 8 -5.969 -6.386 -0.249 1.00 53.32 H new ATOM 0 HG13 ILE A 8 -6.742 -7.726 0.574 1.00 53.32 H new ATOM 0 HG21 ILE A 8 -7.703 -6.247 -2.772 1.00 22.02 H new ATOM 0 HG22 ILE A 8 -9.073 -5.303 -2.141 1.00 22.02 H new ATOM 0 HG23 ILE A 8 -7.405 -4.813 -1.761 1.00 22.02 H new ATOM 0 HD11 ILE A 8 -5.213 -8.530 -1.165 1.00 62.14 H new ATOM 0 HD12 ILE A 8 -6.892 -8.970 -1.562 1.00 62.14 H new ATOM 0 HD13 ILE A 8 -6.106 -7.609 -2.398 1.00 62.14 H new ATOM 102 N ALA A 9 -11.018 -5.566 0.147 1.00 43.01 N ATOM 103 CA ALA A 9 -12.295 -4.907 -0.203 1.00 20.04 C ATOM 104 C ALA A 9 -12.686 -3.812 0.820 1.00 64.23 C ATOM 105 O ALA A 9 -13.350 -2.831 0.461 1.00 62.43 O ATOM 106 CB ALA A 9 -13.412 -5.954 -0.347 1.00 34.42 C ATOM 0 H ALA A 9 -11.109 -6.570 0.302 1.00 43.01 H new ATOM 0 HA ALA A 9 -12.157 -4.407 -1.162 1.00 20.04 H new ATOM 0 HB1 ALA A 9 -14.347 -5.456 -0.605 1.00 34.42 H new ATOM 0 HB2 ALA A 9 -13.149 -6.661 -1.134 1.00 34.42 H new ATOM 0 HB3 ALA A 9 -13.534 -6.488 0.595 1.00 34.42 H new ATOM 112 N LYS A 10 -12.268 -3.995 2.092 1.00 63.14 N ATOM 113 CA LYS A 10 -12.450 -2.983 3.153 1.00 22.41 C ATOM 114 C LYS A 10 -11.596 -1.734 2.841 1.00 1.30 C ATOM 115 O LYS A 10 -12.057 -0.599 2.996 1.00 54.02 O ATOM 116 CB LYS A 10 -12.043 -3.555 4.540 1.00 61.42 C ATOM 117 CG LYS A 10 -12.729 -4.888 4.915 1.00 45.22 C ATOM 118 CD LYS A 10 -12.309 -5.394 6.317 1.00 21.14 C ATOM 119 CE LYS A 10 -12.822 -6.811 6.627 1.00 51.24 C ATOM 120 NZ LYS A 10 -14.304 -6.906 6.551 1.00 34.22 N ATOM 0 H LYS A 10 -11.798 -4.843 2.409 1.00 63.14 H new ATOM 0 HA LYS A 10 -13.504 -2.708 3.184 1.00 22.41 H new ATOM 0 HB2 LYS A 10 -10.963 -3.701 4.555 1.00 61.42 H new ATOM 0 HB3 LYS A 10 -12.275 -2.815 5.306 1.00 61.42 H new ATOM 0 HG2 LYS A 10 -13.811 -4.757 4.888 1.00 45.22 H new ATOM 0 HG3 LYS A 10 -12.481 -5.644 4.170 1.00 45.22 H new ATOM 0 HD2 LYS A 10 -11.221 -5.384 6.389 1.00 21.14 H new ATOM 0 HD3 LYS A 10 -12.685 -4.705 7.073 1.00 21.14 H new ATOM 0 HE2 LYS A 10 -12.379 -7.517 5.924 1.00 51.24 H new ATOM 0 HE3 LYS A 10 -12.492 -7.104 7.624 1.00 51.24 H new ATOM 0 HZ1 LYS A 10 -14.603 -7.870 6.801 1.00 34.22 H new ATOM 0 HZ2 LYS A 10 -14.730 -6.228 7.215 1.00 34.22 H new ATOM 0 HZ3 LYS A 10 -14.617 -6.686 5.584 1.00 34.22 H new ATOM 134 N PHE A 11 -10.342 -1.978 2.399 1.00 1.55 N ATOM 135 CA PHE A 11 -9.378 -0.916 2.040 1.00 51.34 C ATOM 136 C PHE A 11 -9.738 -0.261 0.693 1.00 41.55 C ATOM 137 O PHE A 11 -9.336 0.871 0.439 1.00 11.43 O ATOM 138 CB PHE A 11 -7.927 -1.463 2.000 1.00 0.03 C ATOM 139 CG PHE A 11 -7.479 -2.177 3.275 1.00 42.02 C ATOM 140 CD1 PHE A 11 -7.569 -1.543 4.515 1.00 74.31 C ATOM 141 CD2 PHE A 11 -6.976 -3.481 3.237 1.00 42.22 C ATOM 142 CE1 PHE A 11 -7.180 -2.193 5.669 1.00 64.34 C ATOM 143 CE2 PHE A 11 -6.592 -4.130 4.394 1.00 61.40 C ATOM 144 CZ PHE A 11 -6.692 -3.482 5.607 1.00 11.23 C ATOM 0 H PHE A 11 -9.970 -2.920 2.281 1.00 1.55 H new ATOM 0 HA PHE A 11 -9.437 -0.153 2.816 1.00 51.34 H new ATOM 0 HB2 PHE A 11 -7.837 -2.154 1.162 1.00 0.03 H new ATOM 0 HB3 PHE A 11 -7.246 -0.635 1.805 1.00 0.03 H new ATOM 0 HD1 PHE A 11 -7.947 -0.533 4.572 1.00 74.31 H new ATOM 0 HD2 PHE A 11 -6.886 -3.989 2.288 1.00 42.22 H new ATOM 0 HE1 PHE A 11 -7.258 -1.692 6.622 1.00 64.34 H new ATOM 0 HE2 PHE A 11 -6.215 -5.141 4.349 1.00 61.40 H new ATOM 0 HZ PHE A 11 -6.387 -3.986 6.512 1.00 11.23 H new ATOM 154 N GLU A 12 -10.455 -1.005 -0.175 1.00 25.40 N ATOM 155 CA GLU A 12 -11.016 -0.477 -1.439 1.00 52.50 C ATOM 156 C GLU A 12 -12.039 0.623 -1.128 1.00 2.14 C ATOM 157 O GLU A 12 -12.004 1.713 -1.714 1.00 34.33 O ATOM 158 CB GLU A 12 -11.697 -1.617 -2.248 1.00 61.31 C ATOM 159 CG GLU A 12 -10.735 -2.650 -2.868 1.00 61.10 C ATOM 160 CD GLU A 12 -9.937 -2.094 -4.059 1.00 44.45 C ATOM 161 OE1 GLU A 12 -8.860 -1.510 -3.855 1.00 63.11 O ATOM 162 OE2 GLU A 12 -10.392 -2.236 -5.215 1.00 0.53 O ATOM 0 H GLU A 12 -10.662 -1.992 -0.020 1.00 25.40 H new ATOM 0 HA GLU A 12 -10.206 -0.061 -2.038 1.00 52.50 H new ATOM 0 HB2 GLU A 12 -12.392 -2.141 -1.592 1.00 61.31 H new ATOM 0 HB3 GLU A 12 -12.288 -1.170 -3.047 1.00 61.31 H new ATOM 0 HG2 GLU A 12 -10.040 -2.995 -2.103 1.00 61.10 H new ATOM 0 HG3 GLU A 12 -11.306 -3.519 -3.195 1.00 61.10 H new ATOM 169 N LYS A 13 -12.945 0.304 -0.183 1.00 63.21 N ATOM 170 CA LYS A 13 -13.943 1.243 0.340 1.00 33.51 C ATOM 171 C LYS A 13 -13.249 2.424 1.056 1.00 22.40 C ATOM 172 O LYS A 13 -13.631 3.583 0.868 1.00 45.31 O ATOM 173 CB LYS A 13 -14.907 0.492 1.305 1.00 42.31 C ATOM 174 CG LYS A 13 -15.996 1.373 1.965 1.00 24.45 C ATOM 175 CD LYS A 13 -16.921 2.058 0.928 1.00 52.13 C ATOM 176 CE LYS A 13 -17.858 3.091 1.567 1.00 44.51 C ATOM 177 NZ LYS A 13 -18.723 3.756 0.557 1.00 35.04 N ATOM 0 H LYS A 13 -13.001 -0.623 0.239 1.00 63.21 H new ATOM 0 HA LYS A 13 -14.524 1.651 -0.487 1.00 33.51 H new ATOM 0 HB2 LYS A 13 -15.396 -0.310 0.753 1.00 42.31 H new ATOM 0 HB3 LYS A 13 -14.316 0.023 2.091 1.00 42.31 H new ATOM 0 HG2 LYS A 13 -16.599 0.758 2.633 1.00 24.45 H new ATOM 0 HG3 LYS A 13 -15.517 2.136 2.579 1.00 24.45 H new ATOM 0 HD2 LYS A 13 -16.311 2.547 0.169 1.00 52.13 H new ATOM 0 HD3 LYS A 13 -17.515 1.299 0.419 1.00 52.13 H new ATOM 0 HE2 LYS A 13 -18.483 2.601 2.314 1.00 44.51 H new ATOM 0 HE3 LYS A 13 -17.267 3.843 2.090 1.00 44.51 H new ATOM 0 HZ1 LYS A 13 -19.341 4.446 1.030 1.00 35.04 H new ATOM 0 HZ2 LYS A 13 -18.128 4.245 -0.142 1.00 35.04 H new ATOM 0 HZ3 LYS A 13 -19.306 3.042 0.076 1.00 35.04 H new ATOM 191 N ALA A 14 -12.205 2.105 1.846 1.00 52.54 N ATOM 192 CA ALA A 14 -11.449 3.091 2.640 1.00 50.13 C ATOM 193 C ALA A 14 -10.606 4.030 1.755 1.00 45.13 C ATOM 194 O ALA A 14 -10.349 5.169 2.138 1.00 3.01 O ATOM 195 CB ALA A 14 -10.559 2.371 3.666 1.00 54.44 C ATOM 0 H ALA A 14 -11.861 1.150 1.951 1.00 52.54 H new ATOM 0 HA ALA A 14 -12.173 3.714 3.166 1.00 50.13 H new ATOM 0 HB1 ALA A 14 -10.005 3.108 4.247 1.00 54.44 H new ATOM 0 HB2 ALA A 14 -11.182 1.776 4.334 1.00 54.44 H new ATOM 0 HB3 ALA A 14 -9.858 1.718 3.145 1.00 54.44 H new ATOM 201 N TYR A 15 -10.185 3.528 0.575 1.00 12.03 N ATOM 202 CA TYR A 15 -9.346 4.275 -0.391 1.00 61.53 C ATOM 203 C TYR A 15 -10.159 5.399 -1.051 1.00 63.02 C ATOM 204 O TYR A 15 -9.682 6.531 -1.178 1.00 51.41 O ATOM 205 CB TYR A 15 -8.787 3.295 -1.463 1.00 32.11 C ATOM 206 CG TYR A 15 -7.841 3.915 -2.503 1.00 15.11 C ATOM 207 CD1 TYR A 15 -6.609 4.450 -2.131 1.00 64.22 C ATOM 208 CD2 TYR A 15 -8.174 3.950 -3.862 1.00 64.32 C ATOM 209 CE1 TYR A 15 -5.754 4.996 -3.064 1.00 23.24 C ATOM 210 CE2 TYR A 15 -7.314 4.494 -4.799 1.00 43.33 C ATOM 211 CZ TYR A 15 -6.105 5.015 -4.395 1.00 52.52 C ATOM 212 OH TYR A 15 -5.236 5.552 -5.322 1.00 61.32 O ATOM 0 H TYR A 15 -10.419 2.586 0.262 1.00 12.03 H new ATOM 0 HA TYR A 15 -8.510 4.732 0.139 1.00 61.53 H new ATOM 0 HB2 TYR A 15 -8.259 2.490 -0.952 1.00 32.11 H new ATOM 0 HB3 TYR A 15 -9.628 2.842 -1.988 1.00 32.11 H new ATOM 0 HD1 TYR A 15 -6.318 4.436 -1.091 1.00 64.22 H new ATOM 0 HD2 TYR A 15 -9.121 3.544 -4.185 1.00 64.32 H new ATOM 0 HE1 TYR A 15 -4.807 5.410 -2.750 1.00 23.24 H new ATOM 0 HE2 TYR A 15 -7.590 4.510 -5.843 1.00 43.33 H new ATOM 0 HH TYR A 15 -5.631 5.488 -6.216 1.00 61.32 H new ATOM 222 N LYS A 16 -11.390 5.054 -1.472 1.00 4.14 N ATOM 223 CA LYS A 16 -12.335 6.005 -2.092 1.00 51.43 C ATOM 224 C LYS A 16 -12.849 7.021 -1.061 1.00 1.23 C ATOM 225 O LYS A 16 -13.003 8.211 -1.363 1.00 71.34 O ATOM 226 CB LYS A 16 -13.529 5.241 -2.698 1.00 5.14 C ATOM 227 CG LYS A 16 -13.151 4.185 -3.756 1.00 53.12 C ATOM 228 CD LYS A 16 -14.386 3.432 -4.301 1.00 43.31 C ATOM 229 CE LYS A 16 -15.164 2.675 -3.204 1.00 60.04 C ATOM 230 NZ LYS A 16 -16.305 1.902 -3.770 1.00 73.12 N ATOM 0 H LYS A 16 -11.759 4.107 -1.392 1.00 4.14 H new ATOM 0 HA LYS A 16 -11.806 6.544 -2.878 1.00 51.43 H new ATOM 0 HB2 LYS A 16 -14.074 4.749 -1.892 1.00 5.14 H new ATOM 0 HB3 LYS A 16 -14.211 5.961 -3.151 1.00 5.14 H new ATOM 0 HG2 LYS A 16 -12.631 4.671 -4.582 1.00 53.12 H new ATOM 0 HG3 LYS A 16 -12.455 3.469 -3.319 1.00 53.12 H new ATOM 0 HD2 LYS A 16 -15.054 4.144 -4.786 1.00 43.31 H new ATOM 0 HD3 LYS A 16 -14.065 2.724 -5.065 1.00 43.31 H new ATOM 0 HE2 LYS A 16 -14.489 1.997 -2.681 1.00 60.04 H new ATOM 0 HE3 LYS A 16 -15.536 3.386 -2.466 1.00 60.04 H new ATOM 0 HZ1 LYS A 16 -16.803 1.407 -3.003 1.00 73.12 H new ATOM 0 HZ2 LYS A 16 -16.962 2.552 -4.247 1.00 73.12 H new ATOM 0 HZ3 LYS A 16 -15.947 1.207 -4.456 1.00 73.12 H new ATOM 244 N LYS A 17 -13.114 6.511 0.155 1.00 21.14 N ATOM 245 CA LYS A 17 -13.582 7.312 1.295 1.00 72.34 C ATOM 246 C LYS A 17 -12.527 8.366 1.678 1.00 61.14 C ATOM 247 O LYS A 17 -12.859 9.533 1.948 1.00 32.54 O ATOM 248 CB LYS A 17 -13.904 6.368 2.491 1.00 1.24 C ATOM 249 CG LYS A 17 -14.287 7.063 3.817 1.00 33.22 C ATOM 250 CD LYS A 17 -15.564 7.927 3.718 1.00 25.33 C ATOM 251 CE LYS A 17 -15.824 8.725 5.007 1.00 31.32 C ATOM 252 NZ LYS A 17 -17.048 9.566 4.911 1.00 14.22 N ATOM 0 H LYS A 17 -13.007 5.520 0.374 1.00 21.14 H new ATOM 0 HA LYS A 17 -14.492 7.845 1.020 1.00 72.34 H new ATOM 0 HB2 LYS A 17 -14.722 5.710 2.199 1.00 1.24 H new ATOM 0 HB3 LYS A 17 -13.035 5.735 2.673 1.00 1.24 H new ATOM 0 HG2 LYS A 17 -14.431 6.304 4.586 1.00 33.22 H new ATOM 0 HG3 LYS A 17 -13.457 7.692 4.140 1.00 33.22 H new ATOM 0 HD2 LYS A 17 -15.471 8.616 2.878 1.00 25.33 H new ATOM 0 HD3 LYS A 17 -16.420 7.285 3.511 1.00 25.33 H new ATOM 0 HE2 LYS A 17 -15.924 8.035 5.845 1.00 31.32 H new ATOM 0 HE3 LYS A 17 -14.964 9.361 5.218 1.00 31.32 H new ATOM 0 HZ1 LYS A 17 -17.183 10.085 5.802 1.00 14.22 H new ATOM 0 HZ2 LYS A 17 -16.944 10.243 4.128 1.00 14.22 H new ATOM 0 HZ3 LYS A 17 -17.874 8.959 4.736 1.00 14.22 H new ATOM 266 N ALA A 18 -11.253 7.935 1.665 1.00 1.22 N ATOM 267 CA ALA A 18 -10.107 8.804 1.929 1.00 41.14 C ATOM 268 C ALA A 18 -9.948 9.844 0.802 1.00 43.43 C ATOM 269 O ALA A 18 -9.776 11.031 1.078 1.00 71.34 O ATOM 270 CB ALA A 18 -8.837 7.959 2.081 1.00 72.02 C ATOM 0 H ALA A 18 -10.995 6.968 1.469 1.00 1.22 H new ATOM 0 HA ALA A 18 -10.277 9.344 2.861 1.00 41.14 H new ATOM 0 HB1 ALA A 18 -7.987 8.612 2.277 1.00 72.02 H new ATOM 0 HB2 ALA A 18 -8.960 7.264 2.911 1.00 72.02 H new ATOM 0 HB3 ALA A 18 -8.660 7.400 1.162 1.00 72.02 H new ATOM 276 N GLU A 19 -10.058 9.374 -0.469 1.00 25.15 N ATOM 277 CA GLU A 19 -9.898 10.224 -1.673 1.00 60.15 C ATOM 278 C GLU A 19 -10.900 11.393 -1.680 1.00 2.14 C ATOM 279 O GLU A 19 -10.530 12.525 -2.017 1.00 2.31 O ATOM 280 CB GLU A 19 -10.050 9.384 -2.974 1.00 64.32 C ATOM 281 CG GLU A 19 -9.889 10.216 -4.272 1.00 45.23 C ATOM 282 CD GLU A 19 -10.099 9.420 -5.563 1.00 51.53 C ATOM 283 OE1 GLU A 19 -11.244 9.016 -5.838 1.00 54.23 O ATOM 284 OE2 GLU A 19 -9.132 9.183 -6.315 1.00 42.34 O ATOM 0 H GLU A 19 -10.260 8.398 -0.684 1.00 25.15 H new ATOM 0 HA GLU A 19 -8.891 10.640 -1.640 1.00 60.15 H new ATOM 0 HB2 GLU A 19 -9.308 8.586 -2.970 1.00 64.32 H new ATOM 0 HB3 GLU A 19 -11.031 8.908 -2.977 1.00 64.32 H new ATOM 0 HG2 GLU A 19 -10.599 11.043 -4.250 1.00 45.23 H new ATOM 0 HG3 GLU A 19 -8.891 10.653 -4.287 1.00 45.23 H new ATOM 291 N GLU A 20 -12.156 11.098 -1.278 1.00 22.42 N ATOM 292 CA GLU A 20 -13.260 12.075 -1.227 1.00 20.21 C ATOM 293 C GLU A 20 -12.871 13.285 -0.343 1.00 30.13 C ATOM 294 O GLU A 20 -13.092 14.445 -0.706 1.00 25.13 O ATOM 295 CB GLU A 20 -14.523 11.345 -0.664 1.00 13.23 C ATOM 296 CG GLU A 20 -15.895 11.973 -1.014 1.00 23.21 C ATOM 297 CD GLU A 20 -16.177 13.343 -0.357 1.00 12.32 C ATOM 298 OE1 GLU A 20 -16.410 13.384 0.864 1.00 53.12 O ATOM 299 OE2 GLU A 20 -16.144 14.382 -1.049 1.00 33.42 O ATOM 0 H GLU A 20 -12.432 10.163 -0.977 1.00 22.42 H new ATOM 0 HA GLU A 20 -13.473 12.461 -2.224 1.00 20.21 H new ATOM 0 HB2 GLU A 20 -14.515 10.318 -1.028 1.00 13.23 H new ATOM 0 HB3 GLU A 20 -14.435 11.299 0.421 1.00 13.23 H new ATOM 0 HG2 GLU A 20 -15.959 12.087 -2.096 1.00 23.21 H new ATOM 0 HG3 GLU A 20 -16.681 11.278 -0.719 1.00 23.21 H new ATOM 306 N LEU A 21 -12.228 12.976 0.786 1.00 21.15 N ATOM 307 CA LEU A 21 -11.842 13.962 1.810 1.00 43.41 C ATOM 308 C LEU A 21 -10.435 14.546 1.539 1.00 31.32 C ATOM 309 O LEU A 21 -9.992 15.439 2.270 1.00 4.43 O ATOM 310 CB LEU A 21 -11.900 13.275 3.201 1.00 52.13 C ATOM 311 CG LEU A 21 -13.278 12.651 3.594 1.00 23.13 C ATOM 312 CD1 LEU A 21 -13.185 11.835 4.902 1.00 42.44 C ATOM 313 CD2 LEU A 21 -14.377 13.732 3.684 1.00 33.45 C ATOM 0 H LEU A 21 -11.955 12.022 1.022 1.00 21.15 H new ATOM 0 HA LEU A 21 -12.538 14.800 1.781 1.00 43.41 H new ATOM 0 HB2 LEU A 21 -11.145 12.489 3.229 1.00 52.13 H new ATOM 0 HB3 LEU A 21 -11.625 14.008 3.959 1.00 52.13 H new ATOM 0 HG LEU A 21 -13.557 11.958 2.800 1.00 23.13 H new ATOM 0 HD11 LEU A 21 -14.163 11.418 5.141 1.00 42.44 H new ATOM 0 HD12 LEU A 21 -12.466 11.025 4.775 1.00 42.44 H new ATOM 0 HD13 LEU A 21 -12.860 12.485 5.714 1.00 42.44 H new ATOM 0 HD21 LEU A 21 -15.323 13.267 3.959 1.00 33.45 H new ATOM 0 HD22 LEU A 21 -14.102 14.469 4.439 1.00 33.45 H new ATOM 0 HD23 LEU A 21 -14.482 14.225 2.718 1.00 33.45 H new ATOM 325 N ASN A 22 -9.765 14.038 0.473 1.00 62.34 N ATOM 326 CA ASN A 22 -8.391 14.442 0.054 1.00 33.20 C ATOM 327 C ASN A 22 -7.331 13.976 1.083 1.00 21.53 C ATOM 328 O ASN A 22 -6.242 14.561 1.198 1.00 51.23 O ATOM 329 CB ASN A 22 -8.297 15.975 -0.240 1.00 32.32 C ATOM 330 CG ASN A 22 -9.212 16.429 -1.384 1.00 20.33 C ATOM 331 OD1 ASN A 22 -8.812 16.460 -2.548 1.00 24.21 O ATOM 332 ND2 ASN A 22 -10.447 16.777 -1.067 1.00 63.03 N ATOM 0 H ASN A 22 -10.169 13.323 -0.132 1.00 62.34 H new ATOM 0 HA ASN A 22 -8.172 13.935 -0.886 1.00 33.20 H new ATOM 0 HB2 ASN A 22 -8.554 16.528 0.663 1.00 32.32 H new ATOM 0 HB3 ASN A 22 -7.266 16.228 -0.486 1.00 32.32 H new ATOM 0 HD21 ASN A 22 -11.094 17.080 -1.795 1.00 63.03 H new ATOM 0 HD22 ASN A 22 -10.753 16.742 -0.095 1.00 63.03 H new ATOM 339 N GLN A 23 -7.664 12.876 1.786 1.00 42.24 N ATOM 340 CA GLN A 23 -6.788 12.212 2.768 1.00 60.40 C ATOM 341 C GLN A 23 -5.672 11.439 2.040 1.00 62.12 C ATOM 342 O GLN A 23 -5.862 10.271 1.665 1.00 65.10 O ATOM 343 CB GLN A 23 -7.625 11.227 3.645 1.00 43.00 C ATOM 344 CG GLN A 23 -8.791 11.854 4.437 1.00 32.35 C ATOM 345 CD GLN A 23 -8.368 12.691 5.644 1.00 22.22 C ATOM 346 OE1 GLN A 23 -7.281 13.260 5.685 1.00 22.33 O ATOM 347 NE2 GLN A 23 -9.236 12.783 6.635 1.00 61.44 N ATOM 0 H GLN A 23 -8.568 12.416 1.684 1.00 42.24 H new ATOM 0 HA GLN A 23 -6.337 12.969 3.409 1.00 60.40 H new ATOM 0 HB2 GLN A 23 -8.028 10.448 2.998 1.00 43.00 H new ATOM 0 HB3 GLN A 23 -6.953 10.739 4.351 1.00 43.00 H new ATOM 0 HG2 GLN A 23 -9.373 12.482 3.763 1.00 32.35 H new ATOM 0 HG3 GLN A 23 -9.450 11.056 4.779 1.00 32.35 H new ATOM 0 HE21 GLN A 23 -10.132 12.300 6.575 1.00 61.44 H new ATOM 0 HE22 GLN A 23 -9.010 13.337 7.461 1.00 61.44 H new ATOM 356 N GLY A 24 -4.534 12.109 1.814 1.00 33.43 N ATOM 357 CA GLY A 24 -3.412 11.515 1.090 1.00 54.33 C ATOM 358 C GLY A 24 -2.821 10.312 1.815 1.00 11.00 C ATOM 359 O GLY A 24 -2.844 9.200 1.290 1.00 65.33 O ATOM 0 H GLY A 24 -4.370 13.066 2.125 1.00 33.43 H new ATOM 0 HA2 GLY A 24 -3.745 11.210 0.098 1.00 54.33 H new ATOM 0 HA3 GLY A 24 -2.636 12.267 0.949 1.00 54.33 H new ATOM 363 N GLU A 25 -2.358 10.541 3.060 1.00 73.51 N ATOM 364 CA GLU A 25 -1.717 9.510 3.904 1.00 54.11 C ATOM 365 C GLU A 25 -2.591 8.248 4.039 1.00 14.20 C ATOM 366 O GLU A 25 -2.077 7.139 3.972 1.00 14.12 O ATOM 367 CB GLU A 25 -1.406 10.096 5.311 1.00 12.03 C ATOM 368 CG GLU A 25 -0.840 9.076 6.326 1.00 32.23 C ATOM 369 CD GLU A 25 -0.620 9.650 7.734 1.00 42.51 C ATOM 370 OE1 GLU A 25 -1.616 10.004 8.399 1.00 74.54 O ATOM 371 OE2 GLU A 25 0.541 9.746 8.186 1.00 11.34 O ATOM 0 H GLU A 25 -2.418 11.453 3.512 1.00 73.51 H new ATOM 0 HA GLU A 25 -0.789 9.214 3.416 1.00 54.11 H new ATOM 0 HB2 GLU A 25 -0.692 10.912 5.200 1.00 12.03 H new ATOM 0 HB3 GLU A 25 -2.320 10.526 5.720 1.00 12.03 H new ATOM 0 HG2 GLU A 25 -1.523 8.229 6.393 1.00 32.23 H new ATOM 0 HG3 GLU A 25 0.108 8.692 5.949 1.00 32.23 H new ATOM 378 N LEU A 26 -3.918 8.444 4.180 1.00 21.24 N ATOM 379 CA LEU A 26 -4.878 7.341 4.393 1.00 70.44 C ATOM 380 C LEU A 26 -5.135 6.533 3.100 1.00 71.42 C ATOM 381 O LEU A 26 -5.459 5.344 3.170 1.00 43.31 O ATOM 382 CB LEU A 26 -6.186 7.869 5.009 1.00 44.11 C ATOM 383 CG LEU A 26 -6.035 8.421 6.478 1.00 1.45 C ATOM 384 CD1 LEU A 26 -5.674 9.920 6.522 1.00 73.55 C ATOM 385 CD2 LEU A 26 -7.270 8.092 7.325 1.00 10.24 C ATOM 0 H LEU A 26 -4.353 9.366 4.150 1.00 21.24 H new ATOM 0 HA LEU A 26 -4.429 6.647 5.104 1.00 70.44 H new ATOM 0 HB2 LEU A 26 -6.579 8.663 4.374 1.00 44.11 H new ATOM 0 HB3 LEU A 26 -6.924 7.067 5.009 1.00 44.11 H new ATOM 0 HG LEU A 26 -5.186 7.903 6.924 1.00 1.45 H new ATOM 0 HD11 LEU A 26 -5.584 10.242 7.559 1.00 73.55 H new ATOM 0 HD12 LEU A 26 -4.726 10.081 6.008 1.00 73.55 H new ATOM 0 HD13 LEU A 26 -6.457 10.497 6.030 1.00 73.55 H new ATOM 0 HD21 LEU A 26 -7.136 8.486 8.333 1.00 10.24 H new ATOM 0 HD22 LEU A 26 -8.152 8.545 6.873 1.00 10.24 H new ATOM 0 HD23 LEU A 26 -7.401 7.011 7.372 1.00 10.24 H new ATOM 397 N MET A 27 -4.996 7.190 1.929 1.00 73.30 N ATOM 398 CA MET A 27 -5.023 6.495 0.621 1.00 55.53 C ATOM 399 C MET A 27 -3.755 5.638 0.454 1.00 1.33 C ATOM 400 O MET A 27 -3.821 4.497 -0.013 1.00 23.11 O ATOM 401 CB MET A 27 -5.136 7.495 -0.565 1.00 61.33 C ATOM 402 CG MET A 27 -6.498 8.185 -0.712 1.00 55.52 C ATOM 403 SD MET A 27 -6.650 9.124 -2.251 1.00 2.14 S ATOM 404 CE MET A 27 -5.147 10.099 -2.254 1.00 34.42 C ATOM 0 H MET A 27 -4.864 8.199 1.861 1.00 73.30 H new ATOM 0 HA MET A 27 -5.907 5.857 0.607 1.00 55.53 H new ATOM 0 HB2 MET A 27 -4.370 8.261 -0.447 1.00 61.33 H new ATOM 0 HB3 MET A 27 -4.915 6.963 -1.490 1.00 61.33 H new ATOM 0 HG2 MET A 27 -7.286 7.433 -0.672 1.00 55.52 H new ATOM 0 HG3 MET A 27 -6.653 8.855 0.133 1.00 55.52 H new ATOM 0 HE1 MET A 27 -5.143 10.759 -3.121 1.00 34.42 H new ATOM 0 HE2 MET A 27 -5.099 10.696 -1.343 1.00 34.42 H new ATOM 0 HE3 MET A 27 -4.283 9.436 -2.300 1.00 34.42 H new ATOM 414 N GLY A 28 -2.607 6.226 0.842 1.00 50.34 N ATOM 415 CA GLY A 28 -1.326 5.528 0.843 1.00 73.51 C ATOM 416 C GLY A 28 -1.335 4.320 1.770 1.00 74.31 C ATOM 417 O GLY A 28 -0.791 3.272 1.436 1.00 52.51 O ATOM 0 H GLY A 28 -2.551 7.193 1.160 1.00 50.34 H new ATOM 0 HA2 GLY A 28 -1.088 5.205 -0.171 1.00 73.51 H new ATOM 0 HA3 GLY A 28 -0.539 6.216 1.151 1.00 73.51 H new ATOM 421 N ARG A 29 -1.992 4.483 2.936 1.00 42.44 N ATOM 422 CA ARG A 29 -2.163 3.409 3.930 1.00 24.11 C ATOM 423 C ARG A 29 -3.049 2.290 3.369 1.00 14.42 C ATOM 424 O ARG A 29 -2.737 1.124 3.553 1.00 52.23 O ATOM 425 CB ARG A 29 -2.762 3.970 5.259 1.00 24.24 C ATOM 426 CG ARG A 29 -1.758 4.760 6.126 1.00 63.31 C ATOM 427 CD ARG A 29 -2.412 5.446 7.342 1.00 4.24 C ATOM 428 NE ARG A 29 -1.404 5.970 8.285 1.00 62.33 N ATOM 429 CZ ARG A 29 -1.666 6.738 9.358 1.00 1.34 C ATOM 430 NH1 ARG A 29 -2.909 7.093 9.670 1.00 43.33 N ATOM 431 NH2 ARG A 29 -0.668 7.146 10.126 1.00 14.24 N ATOM 0 H ARG A 29 -2.419 5.366 3.214 1.00 42.44 H new ATOM 0 HA ARG A 29 -1.180 2.992 4.150 1.00 24.11 H new ATOM 0 HB2 ARG A 29 -3.605 4.618 5.019 1.00 24.24 H new ATOM 0 HB3 ARG A 29 -3.155 3.140 5.845 1.00 24.24 H new ATOM 0 HG2 ARG A 29 -0.978 4.083 6.475 1.00 63.31 H new ATOM 0 HG3 ARG A 29 -1.271 5.516 5.509 1.00 63.31 H new ATOM 0 HD2 ARG A 29 -3.048 6.262 7.000 1.00 4.24 H new ATOM 0 HD3 ARG A 29 -3.056 4.734 7.858 1.00 4.24 H new ATOM 0 HE ARG A 29 -0.429 5.730 8.108 1.00 62.33 H new ATOM 0 HH11 ARG A 29 -3.689 6.782 9.091 1.00 43.33 H new ATOM 0 HH12 ARG A 29 -3.083 7.676 10.489 1.00 43.33 H new ATOM 0 HH21 ARG A 29 0.290 6.878 9.902 1.00 14.24 H new ATOM 0 HH22 ARG A 29 -0.857 7.729 10.942 1.00 14.24 H new ATOM 445 N ALA A 30 -4.131 2.676 2.658 1.00 33.25 N ATOM 446 CA ALA A 30 -5.089 1.728 2.050 1.00 2.40 C ATOM 447 C ALA A 30 -4.370 0.779 1.068 1.00 32.41 C ATOM 448 O ALA A 30 -4.517 -0.439 1.160 1.00 44.30 O ATOM 449 CB ALA A 30 -6.223 2.498 1.346 1.00 43.32 C ATOM 0 H ALA A 30 -4.364 3.655 2.490 1.00 33.25 H new ATOM 0 HA ALA A 30 -5.527 1.118 2.840 1.00 2.40 H new ATOM 0 HB1 ALA A 30 -6.923 1.790 0.902 1.00 43.32 H new ATOM 0 HB2 ALA A 30 -6.747 3.119 2.073 1.00 43.32 H new ATOM 0 HB3 ALA A 30 -5.802 3.131 0.565 1.00 43.32 H new ATOM 455 N LEU A 31 -3.554 1.374 0.172 1.00 11.21 N ATOM 456 CA LEU A 31 -2.759 0.641 -0.835 1.00 1.04 C ATOM 457 C LEU A 31 -1.683 -0.233 -0.162 1.00 34.43 C ATOM 458 O LEU A 31 -1.477 -1.381 -0.549 1.00 71.13 O ATOM 459 CB LEU A 31 -2.086 1.651 -1.799 1.00 74.13 C ATOM 460 CG LEU A 31 -3.057 2.562 -2.600 1.00 22.42 C ATOM 461 CD1 LEU A 31 -2.303 3.682 -3.337 1.00 14.03 C ATOM 462 CD2 LEU A 31 -3.920 1.730 -3.567 1.00 22.10 C ATOM 0 H LEU A 31 -3.428 2.385 0.127 1.00 11.21 H new ATOM 0 HA LEU A 31 -3.428 -0.013 -1.394 1.00 1.04 H new ATOM 0 HB2 LEU A 31 -1.414 2.286 -1.221 1.00 74.13 H new ATOM 0 HB3 LEU A 31 -1.470 1.096 -2.506 1.00 74.13 H new ATOM 0 HG LEU A 31 -3.726 3.043 -1.886 1.00 22.42 H new ATOM 0 HD11 LEU A 31 -3.014 4.299 -3.886 1.00 14.03 H new ATOM 0 HD12 LEU A 31 -1.770 4.299 -2.614 1.00 14.03 H new ATOM 0 HD13 LEU A 31 -1.590 3.243 -4.034 1.00 14.03 H new ATOM 0 HD21 LEU A 31 -4.591 2.391 -4.116 1.00 22.10 H new ATOM 0 HD22 LEU A 31 -3.274 1.203 -4.270 1.00 22.10 H new ATOM 0 HD23 LEU A 31 -4.506 1.006 -3.001 1.00 22.10 H new ATOM 474 N TYR A 32 -1.022 0.347 0.856 1.00 51.42 N ATOM 475 CA TYR A 32 0.049 -0.307 1.637 1.00 30.00 C ATOM 476 C TYR A 32 -0.473 -1.590 2.325 1.00 15.14 C ATOM 477 O TYR A 32 0.209 -2.622 2.334 1.00 10.31 O ATOM 478 CB TYR A 32 0.601 0.704 2.685 1.00 63.32 C ATOM 479 CG TYR A 32 1.674 0.142 3.624 1.00 72.32 C ATOM 480 CD1 TYR A 32 2.979 -0.064 3.180 1.00 31.42 C ATOM 481 CD2 TYR A 32 1.372 -0.199 4.951 1.00 51.50 C ATOM 482 CE1 TYR A 32 3.942 -0.586 4.019 1.00 33.22 C ATOM 483 CE2 TYR A 32 2.333 -0.723 5.787 1.00 71.52 C ATOM 484 CZ TYR A 32 3.614 -0.916 5.315 1.00 14.53 C ATOM 485 OH TYR A 32 4.568 -1.452 6.146 1.00 3.23 O ATOM 0 H TYR A 32 -1.219 1.299 1.166 1.00 51.42 H new ATOM 0 HA TYR A 32 0.855 -0.605 0.966 1.00 30.00 H new ATOM 0 HB2 TYR A 32 1.016 1.562 2.156 1.00 63.32 H new ATOM 0 HB3 TYR A 32 -0.231 1.071 3.286 1.00 63.32 H new ATOM 0 HD1 TYR A 32 3.241 0.189 2.163 1.00 31.42 H new ATOM 0 HD2 TYR A 32 0.369 -0.048 5.323 1.00 51.50 H new ATOM 0 HE1 TYR A 32 4.950 -0.735 3.660 1.00 33.22 H new ATOM 0 HE2 TYR A 32 2.085 -0.981 6.806 1.00 71.52 H new ATOM 0 HH TYR A 32 5.177 -2.015 5.624 1.00 3.23 H new ATOM 495 N ASN A 33 -1.697 -1.499 2.878 1.00 73.03 N ATOM 496 CA ASN A 33 -2.350 -2.609 3.592 1.00 5.44 C ATOM 497 C ASN A 33 -2.717 -3.732 2.613 1.00 5.44 C ATOM 498 O ASN A 33 -2.462 -4.901 2.891 1.00 4.34 O ATOM 499 CB ASN A 33 -3.616 -2.116 4.340 1.00 62.31 C ATOM 500 CG ASN A 33 -3.347 -1.095 5.449 1.00 71.11 C ATOM 501 OD1 ASN A 33 -2.302 -1.113 6.105 1.00 61.15 O ATOM 502 ND2 ASN A 33 -4.300 -0.190 5.660 1.00 22.32 N ATOM 0 H ASN A 33 -2.261 -0.650 2.841 1.00 73.03 H new ATOM 0 HA ASN A 33 -1.647 -2.999 4.328 1.00 5.44 H new ATOM 0 HB2 ASN A 33 -4.300 -1.674 3.616 1.00 62.31 H new ATOM 0 HB3 ASN A 33 -4.124 -2.978 4.773 1.00 62.31 H new ATOM 0 HD21 ASN A 33 -4.179 0.519 6.383 1.00 22.32 H new ATOM 0 HD22 ASN A 33 -5.151 -0.205 5.098 1.00 22.32 H new ATOM 509 N ILE A 34 -3.305 -3.352 1.454 1.00 51.15 N ATOM 510 CA ILE A 34 -3.643 -4.301 0.369 1.00 20.50 C ATOM 511 C ILE A 34 -2.371 -5.013 -0.130 1.00 31.21 C ATOM 512 O ILE A 34 -2.406 -6.204 -0.446 1.00 72.03 O ATOM 513 CB ILE A 34 -4.359 -3.573 -0.836 1.00 62.11 C ATOM 514 CG1 ILE A 34 -5.705 -2.942 -0.371 1.00 15.41 C ATOM 515 CG2 ILE A 34 -4.588 -4.534 -2.031 1.00 51.22 C ATOM 516 CD1 ILE A 34 -6.420 -2.089 -1.415 1.00 20.43 C ATOM 0 H ILE A 34 -3.557 -2.386 1.246 1.00 51.15 H new ATOM 0 HA ILE A 34 -4.335 -5.038 0.777 1.00 20.50 H new ATOM 0 HB ILE A 34 -3.700 -2.776 -1.179 1.00 62.11 H new ATOM 0 HG12 ILE A 34 -6.375 -3.744 -0.060 1.00 15.41 H new ATOM 0 HG13 ILE A 34 -5.514 -2.327 0.508 1.00 15.41 H new ATOM 0 HG21 ILE A 34 -5.083 -3.997 -2.840 1.00 51.22 H new ATOM 0 HG22 ILE A 34 -3.628 -4.914 -2.381 1.00 51.22 H new ATOM 0 HG23 ILE A 34 -5.214 -5.367 -1.713 1.00 51.22 H new ATOM 0 HD11 ILE A 34 -7.345 -1.697 -0.993 1.00 20.43 H new ATOM 0 HD12 ILE A 34 -5.776 -1.261 -1.711 1.00 20.43 H new ATOM 0 HD13 ILE A 34 -6.650 -2.700 -2.288 1.00 20.43 H new ATOM 528 N GLY A 35 -1.261 -4.255 -0.177 1.00 33.10 N ATOM 529 CA GLY A 35 0.042 -4.783 -0.548 1.00 15.12 C ATOM 530 C GLY A 35 0.497 -5.890 0.393 1.00 64.31 C ATOM 531 O GLY A 35 0.966 -6.933 -0.053 1.00 21.15 O ATOM 0 H GLY A 35 -1.254 -3.259 0.043 1.00 33.10 H new ATOM 0 HA2 GLY A 35 0.001 -5.167 -1.567 1.00 15.12 H new ATOM 0 HA3 GLY A 35 0.775 -3.977 -0.541 1.00 15.12 H new ATOM 535 N LEU A 36 0.333 -5.651 1.711 1.00 53.20 N ATOM 536 CA LEU A 36 0.662 -6.637 2.763 1.00 5.11 C ATOM 537 C LEU A 36 -0.264 -7.871 2.677 1.00 34.11 C ATOM 538 O LEU A 36 0.155 -8.986 3.006 1.00 32.31 O ATOM 539 CB LEU A 36 0.566 -5.986 4.171 1.00 73.44 C ATOM 540 CG LEU A 36 1.606 -4.864 4.504 1.00 75.35 C ATOM 541 CD1 LEU A 36 1.291 -4.202 5.862 1.00 5.14 C ATOM 542 CD2 LEU A 36 3.053 -5.409 4.478 1.00 25.34 C ATOM 0 H LEU A 36 -0.031 -4.771 2.076 1.00 53.20 H new ATOM 0 HA LEU A 36 1.687 -6.970 2.602 1.00 5.11 H new ATOM 0 HB2 LEU A 36 -0.434 -5.566 4.283 1.00 73.44 H new ATOM 0 HB3 LEU A 36 0.667 -6.774 4.917 1.00 73.44 H new ATOM 0 HG LEU A 36 1.526 -4.102 3.729 1.00 75.35 H new ATOM 0 HD11 LEU A 36 2.029 -3.427 6.069 1.00 5.14 H new ATOM 0 HD12 LEU A 36 0.297 -3.757 5.828 1.00 5.14 H new ATOM 0 HD13 LEU A 36 1.325 -4.954 6.650 1.00 5.14 H new ATOM 0 HD21 LEU A 36 3.749 -4.604 4.713 1.00 25.34 H new ATOM 0 HD22 LEU A 36 3.155 -6.205 5.216 1.00 25.34 H new ATOM 0 HD23 LEU A 36 3.276 -5.803 3.486 1.00 25.34 H new ATOM 554 N GLU A 37 -1.521 -7.655 2.224 1.00 73.01 N ATOM 555 CA GLU A 37 -2.499 -8.742 2.043 1.00 64.23 C ATOM 556 C GLU A 37 -2.139 -9.607 0.816 1.00 24.55 C ATOM 557 O GLU A 37 -2.368 -10.814 0.822 1.00 23.13 O ATOM 558 CB GLU A 37 -3.950 -8.195 1.952 1.00 33.12 C ATOM 559 CG GLU A 37 -4.446 -7.456 3.220 1.00 44.42 C ATOM 560 CD GLU A 37 -4.307 -8.287 4.516 1.00 20.24 C ATOM 561 OE1 GLU A 37 -5.144 -9.191 4.746 1.00 22.02 O ATOM 562 OE2 GLU A 37 -3.357 -8.056 5.305 1.00 4.14 O ATOM 0 H GLU A 37 -1.878 -6.732 1.978 1.00 73.01 H new ATOM 0 HA GLU A 37 -2.454 -9.381 2.925 1.00 64.23 H new ATOM 0 HB2 GLU A 37 -4.014 -7.514 1.103 1.00 33.12 H new ATOM 0 HB3 GLU A 37 -4.624 -9.026 1.746 1.00 33.12 H new ATOM 0 HG2 GLU A 37 -3.885 -6.528 3.332 1.00 44.42 H new ATOM 0 HG3 GLU A 37 -5.492 -7.182 3.085 1.00 44.42 H new ATOM 569 N LYS A 38 -1.557 -8.983 -0.226 1.00 42.45 N ATOM 570 CA LYS A 38 -1.025 -9.706 -1.403 1.00 43.41 C ATOM 571 C LYS A 38 0.254 -10.474 -1.016 1.00 60.41 C ATOM 572 O LYS A 38 0.453 -11.619 -1.421 1.00 74.32 O ATOM 573 CB LYS A 38 -0.699 -8.708 -2.542 1.00 11.40 C ATOM 574 CG LYS A 38 -1.896 -7.929 -3.114 1.00 70.35 C ATOM 575 CD LYS A 38 -2.900 -8.825 -3.871 1.00 1.23 C ATOM 576 CE LYS A 38 -3.981 -8.009 -4.585 1.00 23.55 C ATOM 577 NZ LYS A 38 -4.845 -8.851 -5.450 1.00 31.32 N ATOM 0 H LYS A 38 -1.442 -7.971 -0.278 1.00 42.45 H new ATOM 0 HA LYS A 38 -1.781 -10.411 -1.748 1.00 43.41 H new ATOM 0 HB2 LYS A 38 0.034 -7.991 -2.172 1.00 11.40 H new ATOM 0 HB3 LYS A 38 -0.225 -9.257 -3.356 1.00 11.40 H new ATOM 0 HG2 LYS A 38 -2.414 -7.422 -2.300 1.00 70.35 H new ATOM 0 HG3 LYS A 38 -1.529 -7.156 -3.789 1.00 70.35 H new ATOM 0 HD2 LYS A 38 -2.364 -9.432 -4.601 1.00 1.23 H new ATOM 0 HD3 LYS A 38 -3.371 -9.513 -3.169 1.00 1.23 H new ATOM 0 HE2 LYS A 38 -4.598 -7.501 -3.844 1.00 23.55 H new ATOM 0 HE3 LYS A 38 -3.508 -7.236 -5.191 1.00 23.55 H new ATOM 0 HZ1 LYS A 38 -5.818 -8.483 -5.433 1.00 31.32 H new ATOM 0 HZ2 LYS A 38 -4.485 -8.831 -6.425 1.00 31.32 H new ATOM 0 HZ3 LYS A 38 -4.839 -9.830 -5.099 1.00 31.32 H new ATOM 591 N ASN A 39 1.088 -9.806 -0.203 1.00 64.14 N ATOM 592 CA ASN A 39 2.410 -10.303 0.236 1.00 71.52 C ATOM 593 C ASN A 39 2.258 -11.590 1.080 1.00 62.22 C ATOM 594 O ASN A 39 3.057 -12.528 0.949 1.00 4.23 O ATOM 595 CB ASN A 39 3.125 -9.179 1.055 1.00 72.32 C ATOM 596 CG ASN A 39 4.588 -9.466 1.395 1.00 41.25 C ATOM 597 OD1 ASN A 39 5.311 -10.096 0.624 1.00 12.31 O ATOM 598 ND2 ASN A 39 5.036 -9.009 2.558 1.00 24.11 N ATOM 0 H ASN A 39 0.862 -8.887 0.177 1.00 64.14 H new ATOM 0 HA ASN A 39 3.014 -10.554 -0.636 1.00 71.52 H new ATOM 0 HB2 ASN A 39 3.074 -8.248 0.490 1.00 72.32 H new ATOM 0 HB3 ASN A 39 2.575 -9.019 1.983 1.00 72.32 H new ATOM 0 HD21 ASN A 39 6.004 -9.177 2.833 1.00 24.11 H new ATOM 0 HD22 ASN A 39 4.413 -8.490 3.176 1.00 24.11 H new ATOM 605 N LYS A 40 1.204 -11.616 1.922 1.00 10.24 N ATOM 606 CA LYS A 40 0.878 -12.770 2.789 1.00 33.10 C ATOM 607 C LYS A 40 0.245 -13.924 1.963 1.00 44.35 C ATOM 608 O LYS A 40 0.288 -15.085 2.378 1.00 74.31 O ATOM 609 CB LYS A 40 -0.069 -12.320 3.958 1.00 70.22 C ATOM 610 CG LYS A 40 -1.580 -12.311 3.616 1.00 72.43 C ATOM 611 CD LYS A 40 -2.434 -11.386 4.508 1.00 22.33 C ATOM 612 CE LYS A 40 -2.368 -11.677 6.009 1.00 62.31 C ATOM 613 NZ LYS A 40 -3.278 -10.759 6.756 1.00 51.02 N ATOM 0 H LYS A 40 0.553 -10.837 2.021 1.00 10.24 H new ATOM 0 HA LYS A 40 1.802 -13.149 3.225 1.00 33.10 H new ATOM 0 HB2 LYS A 40 0.091 -12.982 4.809 1.00 70.22 H new ATOM 0 HB3 LYS A 40 0.222 -11.318 4.275 1.00 70.22 H new ATOM 0 HG2 LYS A 40 -1.702 -12.006 2.577 1.00 72.43 H new ATOM 0 HG3 LYS A 40 -1.964 -13.328 3.697 1.00 72.43 H new ATOM 0 HD2 LYS A 40 -2.119 -10.356 4.341 1.00 22.33 H new ATOM 0 HD3 LYS A 40 -3.473 -11.458 4.187 1.00 22.33 H new ATOM 0 HE2 LYS A 40 -2.650 -12.713 6.198 1.00 62.31 H new ATOM 0 HE3 LYS A 40 -1.345 -11.555 6.365 1.00 62.31 H new ATOM 0 HZ1 LYS A 40 -2.979 -10.708 7.751 1.00 51.02 H new ATOM 0 HZ2 LYS A 40 -3.237 -9.810 6.333 1.00 51.02 H new ATOM 0 HZ3 LYS A 40 -4.252 -11.119 6.706 1.00 51.02 H new ATOM 627 N MET A 41 -0.349 -13.587 0.790 1.00 2.50 N ATOM 628 CA MET A 41 -0.983 -14.579 -0.121 1.00 23.03 C ATOM 629 C MET A 41 -0.002 -15.100 -1.196 1.00 54.13 C ATOM 630 O MET A 41 -0.387 -15.926 -2.037 1.00 13.35 O ATOM 631 CB MET A 41 -2.249 -13.971 -0.807 1.00 15.13 C ATOM 632 CG MET A 41 -3.454 -13.762 0.122 1.00 43.55 C ATOM 633 SD MET A 41 -4.962 -13.274 -0.764 1.00 74.33 S ATOM 634 CE MET A 41 -4.553 -11.641 -1.393 1.00 42.12 C ATOM 0 H MET A 41 -0.403 -12.627 0.449 1.00 2.50 H new ATOM 0 HA MET A 41 -1.279 -15.427 0.496 1.00 23.03 H new ATOM 0 HB2 MET A 41 -1.979 -13.012 -1.248 1.00 15.13 H new ATOM 0 HB3 MET A 41 -2.550 -14.625 -1.625 1.00 15.13 H new ATOM 0 HG2 MET A 41 -3.645 -14.684 0.672 1.00 43.55 H new ATOM 0 HG3 MET A 41 -3.209 -12.997 0.858 1.00 43.55 H new ATOM 0 HE1 MET A 41 -5.230 -11.385 -2.208 1.00 42.12 H new ATOM 0 HE2 MET A 41 -4.654 -10.907 -0.593 1.00 42.12 H new ATOM 0 HE3 MET A 41 -3.526 -11.639 -1.759 1.00 42.12 H new ATOM 644 N GLY A 42 1.255 -14.614 -1.171 1.00 2.10 N ATOM 645 CA GLY A 42 2.267 -15.014 -2.162 1.00 10.51 C ATOM 646 C GLY A 42 2.075 -14.356 -3.529 1.00 45.14 C ATOM 647 O GLY A 42 2.736 -14.734 -4.505 1.00 23.25 O ATOM 0 H GLY A 42 1.590 -13.946 -0.477 1.00 2.10 H new ATOM 0 HA2 GLY A 42 3.257 -14.761 -1.782 1.00 10.51 H new ATOM 0 HA3 GLY A 42 2.239 -16.097 -2.282 1.00 10.51 H new ATOM 651 N LYS A 43 1.176 -13.356 -3.575 1.00 20.00 N ATOM 652 CA LYS A 43 0.893 -12.533 -4.765 1.00 3.35 C ATOM 653 C LYS A 43 1.785 -11.283 -4.708 1.00 21.40 C ATOM 654 O LYS A 43 1.323 -10.141 -4.820 1.00 73.43 O ATOM 655 CB LYS A 43 -0.611 -12.155 -4.751 1.00 14.13 C ATOM 656 CG LYS A 43 -1.569 -13.362 -4.705 1.00 24.33 C ATOM 657 CD LYS A 43 -3.056 -12.939 -4.662 1.00 63.03 C ATOM 658 CE LYS A 43 -4.013 -14.142 -4.721 1.00 43.24 C ATOM 659 NZ LYS A 43 -3.800 -14.967 -5.945 1.00 51.42 N ATOM 0 H LYS A 43 0.613 -13.092 -2.767 1.00 20.00 H new ATOM 0 HA LYS A 43 1.106 -13.073 -5.688 1.00 3.35 H new ATOM 0 HB2 LYS A 43 -0.806 -11.519 -3.888 1.00 14.13 H new ATOM 0 HB3 LYS A 43 -0.833 -11.564 -5.639 1.00 14.13 H new ATOM 0 HG2 LYS A 43 -1.399 -13.990 -5.580 1.00 24.33 H new ATOM 0 HG3 LYS A 43 -1.342 -13.968 -3.828 1.00 24.33 H new ATOM 0 HD2 LYS A 43 -3.243 -12.374 -3.749 1.00 63.03 H new ATOM 0 HD3 LYS A 43 -3.265 -12.271 -5.498 1.00 63.03 H new ATOM 0 HE2 LYS A 43 -3.870 -14.763 -3.836 1.00 43.24 H new ATOM 0 HE3 LYS A 43 -5.043 -13.787 -4.698 1.00 43.24 H new ATOM 0 HZ1 LYS A 43 -4.603 -15.616 -6.070 1.00 51.42 H new ATOM 0 HZ2 LYS A 43 -3.726 -14.344 -6.775 1.00 51.42 H new ATOM 0 HZ3 LYS A 43 -2.923 -15.516 -5.845 1.00 51.42 H new ATOM 673 N VAL A 44 3.086 -11.543 -4.598 1.00 64.34 N ATOM 674 CA VAL A 44 4.089 -10.555 -4.186 1.00 63.14 C ATOM 675 C VAL A 44 4.352 -9.492 -5.282 1.00 13.22 C ATOM 676 O VAL A 44 4.743 -8.364 -4.975 1.00 45.51 O ATOM 677 CB VAL A 44 5.417 -11.282 -3.769 1.00 44.35 C ATOM 678 CG1 VAL A 44 6.460 -10.296 -3.236 1.00 22.11 C ATOM 679 CG2 VAL A 44 5.143 -12.397 -2.725 1.00 72.43 C ATOM 0 H VAL A 44 3.483 -12.462 -4.795 1.00 64.34 H new ATOM 0 HA VAL A 44 3.693 -10.018 -3.324 1.00 63.14 H new ATOM 0 HB VAL A 44 5.823 -11.745 -4.669 1.00 44.35 H new ATOM 0 HG11 VAL A 44 7.364 -10.838 -2.958 1.00 22.11 H new ATOM 0 HG12 VAL A 44 6.698 -9.565 -4.009 1.00 22.11 H new ATOM 0 HG13 VAL A 44 6.061 -9.782 -2.361 1.00 22.11 H new ATOM 0 HG21 VAL A 44 6.081 -12.882 -2.456 1.00 72.43 H new ATOM 0 HG22 VAL A 44 4.693 -11.959 -1.834 1.00 72.43 H new ATOM 0 HG23 VAL A 44 4.462 -13.134 -3.150 1.00 72.43 H new ATOM 689 N LYS A 45 4.109 -9.858 -6.559 1.00 35.03 N ATOM 690 CA LYS A 45 4.269 -8.931 -7.704 1.00 0.14 C ATOM 691 C LYS A 45 3.213 -7.815 -7.632 1.00 33.02 C ATOM 692 O LYS A 45 3.516 -6.654 -7.915 1.00 13.14 O ATOM 693 CB LYS A 45 4.183 -9.667 -9.076 1.00 62.52 C ATOM 694 CG LYS A 45 5.381 -10.602 -9.393 1.00 51.31 C ATOM 695 CD LYS A 45 5.416 -11.893 -8.536 1.00 31.33 C ATOM 696 CE LYS A 45 6.635 -12.777 -8.851 1.00 33.21 C ATOM 697 NZ LYS A 45 6.693 -13.164 -10.287 1.00 64.12 N ATOM 0 H LYS A 45 3.800 -10.793 -6.825 1.00 35.03 H new ATOM 0 HA LYS A 45 5.265 -8.495 -7.633 1.00 0.14 H new ATOM 0 HB2 LYS A 45 3.266 -10.255 -9.099 1.00 62.52 H new ATOM 0 HB3 LYS A 45 4.104 -8.922 -9.867 1.00 62.52 H new ATOM 0 HG2 LYS A 45 5.344 -10.878 -10.447 1.00 51.31 H new ATOM 0 HG3 LYS A 45 6.309 -10.051 -9.240 1.00 51.31 H new ATOM 0 HD2 LYS A 45 5.430 -11.624 -7.480 1.00 31.33 H new ATOM 0 HD3 LYS A 45 4.503 -12.464 -8.707 1.00 31.33 H new ATOM 0 HE2 LYS A 45 7.547 -12.244 -8.583 1.00 33.21 H new ATOM 0 HE3 LYS A 45 6.599 -13.676 -8.235 1.00 33.21 H new ATOM 0 HZ1 LYS A 45 7.437 -13.878 -10.424 1.00 64.12 H new ATOM 0 HZ2 LYS A 45 5.776 -13.559 -10.577 1.00 64.12 H new ATOM 0 HZ3 LYS A 45 6.907 -12.326 -10.864 1.00 64.12 H new ATOM 711 N GLU A 46 1.975 -8.195 -7.229 1.00 2.14 N ATOM 712 CA GLU A 46 0.882 -7.234 -6.986 1.00 3.34 C ATOM 713 C GLU A 46 1.230 -6.348 -5.783 1.00 34.01 C ATOM 714 O GLU A 46 1.051 -5.132 -5.836 1.00 61.51 O ATOM 715 CB GLU A 46 -0.472 -7.951 -6.737 1.00 22.52 C ATOM 716 CG GLU A 46 -0.921 -8.894 -7.868 1.00 10.02 C ATOM 717 CD GLU A 46 -2.334 -9.450 -7.642 1.00 45.31 C ATOM 718 OE1 GLU A 46 -3.318 -8.778 -8.010 1.00 3.52 O ATOM 719 OE2 GLU A 46 -2.475 -10.538 -7.058 1.00 42.53 O ATOM 0 H GLU A 46 1.713 -9.167 -7.066 1.00 2.14 H new ATOM 0 HA GLU A 46 0.773 -6.620 -7.880 1.00 3.34 H new ATOM 0 HB2 GLU A 46 -0.399 -8.524 -5.813 1.00 22.52 H new ATOM 0 HB3 GLU A 46 -1.244 -7.197 -6.584 1.00 22.52 H new ATOM 0 HG2 GLU A 46 -0.892 -8.358 -8.817 1.00 10.02 H new ATOM 0 HG3 GLU A 46 -0.216 -9.722 -7.948 1.00 10.02 H new ATOM 726 N ALA A 47 1.781 -6.996 -4.723 1.00 34.10 N ATOM 727 CA ALA A 47 2.179 -6.340 -3.462 1.00 60.23 C ATOM 728 C ALA A 47 3.123 -5.160 -3.727 1.00 51.31 C ATOM 729 O ALA A 47 2.905 -4.071 -3.198 1.00 63.34 O ATOM 730 CB ALA A 47 2.848 -7.352 -2.514 1.00 23.21 C ATOM 0 H ALA A 47 1.961 -8.000 -4.726 1.00 34.10 H new ATOM 0 HA ALA A 47 1.277 -5.955 -2.986 1.00 60.23 H new ATOM 0 HB1 ALA A 47 3.135 -6.850 -1.590 1.00 23.21 H new ATOM 0 HB2 ALA A 47 2.148 -8.157 -2.288 1.00 23.21 H new ATOM 0 HB3 ALA A 47 3.736 -7.767 -2.992 1.00 23.21 H new ATOM 736 N ILE A 48 4.135 -5.409 -4.589 1.00 51.54 N ATOM 737 CA ILE A 48 5.099 -4.399 -5.069 1.00 33.10 C ATOM 738 C ILE A 48 4.369 -3.170 -5.635 1.00 31.02 C ATOM 739 O ILE A 48 4.641 -2.048 -5.218 1.00 11.25 O ATOM 740 CB ILE A 48 6.041 -5.018 -6.179 1.00 2.15 C ATOM 741 CG1 ILE A 48 6.965 -6.108 -5.566 1.00 62.31 C ATOM 742 CG2 ILE A 48 6.878 -3.942 -6.923 1.00 73.31 C ATOM 743 CD1 ILE A 48 7.824 -6.843 -6.576 1.00 55.02 C ATOM 0 H ILE A 48 4.306 -6.337 -4.977 1.00 51.54 H new ATOM 0 HA ILE A 48 5.706 -4.084 -4.220 1.00 33.10 H new ATOM 0 HB ILE A 48 5.392 -5.480 -6.923 1.00 2.15 H new ATOM 0 HG12 ILE A 48 7.615 -5.641 -4.826 1.00 62.31 H new ATOM 0 HG13 ILE A 48 6.348 -6.834 -5.036 1.00 62.31 H new ATOM 0 HG21 ILE A 48 7.506 -4.424 -7.673 1.00 73.31 H new ATOM 0 HG22 ILE A 48 6.209 -3.233 -7.411 1.00 73.31 H new ATOM 0 HG23 ILE A 48 7.508 -3.413 -6.208 1.00 73.31 H new ATOM 0 HD11 ILE A 48 8.436 -7.584 -6.062 1.00 55.02 H new ATOM 0 HD12 ILE A 48 7.184 -7.342 -7.303 1.00 55.02 H new ATOM 0 HD13 ILE A 48 8.471 -6.132 -7.090 1.00 55.02 H new ATOM 755 N GLU A 49 3.417 -3.423 -6.554 1.00 24.24 N ATOM 756 CA GLU A 49 2.690 -2.366 -7.286 1.00 42.02 C ATOM 757 C GLU A 49 1.882 -1.479 -6.319 1.00 30.33 C ATOM 758 O GLU A 49 1.871 -0.258 -6.465 1.00 52.43 O ATOM 759 CB GLU A 49 1.768 -2.998 -8.365 1.00 20.32 C ATOM 760 CG GLU A 49 2.511 -3.942 -9.333 1.00 4.54 C ATOM 761 CD GLU A 49 1.597 -4.567 -10.398 1.00 50.30 C ATOM 762 OE1 GLU A 49 0.983 -5.623 -10.129 1.00 62.20 O ATOM 763 OE2 GLU A 49 1.473 -3.993 -11.504 1.00 64.15 O ATOM 0 H GLU A 49 3.130 -4.367 -6.811 1.00 24.24 H new ATOM 0 HA GLU A 49 3.419 -1.728 -7.786 1.00 42.02 H new ATOM 0 HB2 GLU A 49 0.970 -3.552 -7.870 1.00 20.32 H new ATOM 0 HB3 GLU A 49 1.294 -2.201 -8.939 1.00 20.32 H new ATOM 0 HG2 GLU A 49 3.308 -3.388 -9.829 1.00 4.54 H new ATOM 0 HG3 GLU A 49 2.985 -4.738 -8.759 1.00 4.54 H new ATOM 770 N TYR A 50 1.259 -2.112 -5.306 1.00 22.51 N ATOM 771 CA TYR A 50 0.495 -1.406 -4.261 1.00 73.12 C ATOM 772 C TYR A 50 1.417 -0.592 -3.338 1.00 30.52 C ATOM 773 O TYR A 50 1.048 0.503 -2.927 1.00 73.32 O ATOM 774 CB TYR A 50 -0.345 -2.393 -3.421 1.00 10.24 C ATOM 775 CG TYR A 50 -1.568 -2.959 -4.148 1.00 53.22 C ATOM 776 CD1 TYR A 50 -2.714 -2.185 -4.346 1.00 71.32 C ATOM 777 CD2 TYR A 50 -1.577 -4.265 -4.633 1.00 62.24 C ATOM 778 CE1 TYR A 50 -3.815 -2.699 -5.005 1.00 1.14 C ATOM 779 CE2 TYR A 50 -2.668 -4.780 -5.291 1.00 52.04 C ATOM 780 CZ TYR A 50 -3.785 -4.001 -5.475 1.00 32.53 C ATOM 781 OH TYR A 50 -4.880 -4.527 -6.124 1.00 35.10 O ATOM 0 H TYR A 50 1.272 -3.125 -5.190 1.00 22.51 H new ATOM 0 HA TYR A 50 -0.177 -0.716 -4.771 1.00 73.12 H new ATOM 0 HB2 TYR A 50 0.293 -3.220 -3.109 1.00 10.24 H new ATOM 0 HB3 TYR A 50 -0.678 -1.888 -2.514 1.00 10.24 H new ATOM 0 HD1 TYR A 50 -2.740 -1.170 -3.979 1.00 71.32 H new ATOM 0 HD2 TYR A 50 -0.706 -4.887 -4.488 1.00 62.24 H new ATOM 0 HE1 TYR A 50 -4.694 -2.088 -5.152 1.00 1.14 H new ATOM 0 HE2 TYR A 50 -2.648 -5.794 -5.662 1.00 52.04 H new ATOM 0 HH TYR A 50 -4.690 -5.451 -6.389 1.00 35.10 H new ATOM 791 N PHE A 51 2.607 -1.148 -3.011 1.00 2.11 N ATOM 792 CA PHE A 51 3.606 -0.451 -2.173 1.00 2.10 C ATOM 793 C PHE A 51 4.243 0.711 -2.949 1.00 14.30 C ATOM 794 O PHE A 51 4.652 1.680 -2.342 1.00 54.25 O ATOM 795 CB PHE A 51 4.747 -1.385 -1.691 1.00 33.52 C ATOM 796 CG PHE A 51 4.364 -2.548 -0.787 1.00 52.45 C ATOM 797 CD1 PHE A 51 3.408 -2.406 0.216 1.00 35.54 C ATOM 798 CD2 PHE A 51 4.996 -3.786 -0.934 1.00 11.32 C ATOM 799 CE1 PHE A 51 3.095 -3.468 1.040 1.00 42.21 C ATOM 800 CE2 PHE A 51 4.676 -4.849 -0.113 1.00 41.51 C ATOM 801 CZ PHE A 51 3.726 -4.690 0.872 1.00 44.40 C ATOM 0 H PHE A 51 2.897 -2.077 -3.316 1.00 2.11 H new ATOM 0 HA PHE A 51 3.062 -0.088 -1.301 1.00 2.10 H new ATOM 0 HB2 PHE A 51 5.244 -1.792 -2.572 1.00 33.52 H new ATOM 0 HB3 PHE A 51 5.481 -0.776 -1.164 1.00 33.52 H new ATOM 0 HD1 PHE A 51 2.908 -1.458 0.350 1.00 35.54 H new ATOM 0 HD2 PHE A 51 5.746 -3.913 -1.701 1.00 11.32 H new ATOM 0 HE1 PHE A 51 2.356 -3.346 1.818 1.00 42.21 H new ATOM 0 HE2 PHE A 51 5.169 -5.801 -0.242 1.00 41.51 H new ATOM 0 HZ PHE A 51 3.472 -5.520 1.515 1.00 44.40 H new ATOM 811 N LEU A 52 4.335 0.579 -4.292 1.00 31.22 N ATOM 812 CA LEU A 52 4.940 1.613 -5.176 1.00 11.13 C ATOM 813 C LEU A 52 4.020 2.836 -5.231 1.00 4.14 C ATOM 814 O LEU A 52 4.477 3.981 -5.133 1.00 2.31 O ATOM 815 CB LEU A 52 5.180 1.064 -6.621 1.00 54.30 C ATOM 816 CG LEU A 52 6.382 0.084 -6.817 1.00 51.25 C ATOM 817 CD1 LEU A 52 6.413 -0.480 -8.256 1.00 2.44 C ATOM 818 CD2 LEU A 52 7.723 0.762 -6.463 1.00 75.55 C ATOM 0 H LEU A 52 3.995 -0.241 -4.795 1.00 31.22 H new ATOM 0 HA LEU A 52 5.908 1.893 -4.761 1.00 11.13 H new ATOM 0 HB2 LEU A 52 4.272 0.556 -6.945 1.00 54.30 H new ATOM 0 HB3 LEU A 52 5.324 1.915 -7.287 1.00 54.30 H new ATOM 0 HG LEU A 52 6.239 -0.751 -6.131 1.00 51.25 H new ATOM 0 HD11 LEU A 52 7.259 -1.158 -8.363 1.00 2.44 H new ATOM 0 HD12 LEU A 52 5.488 -1.020 -8.455 1.00 2.44 H new ATOM 0 HD13 LEU A 52 6.514 0.341 -8.966 1.00 2.44 H new ATOM 0 HD21 LEU A 52 8.539 0.054 -6.610 1.00 75.55 H new ATOM 0 HD22 LEU A 52 7.874 1.628 -7.107 1.00 75.55 H new ATOM 0 HD23 LEU A 52 7.705 1.083 -5.422 1.00 75.55 H new ATOM 830 N ARG A 53 2.715 2.555 -5.395 1.00 22.12 N ATOM 831 CA ARG A 53 1.654 3.569 -5.396 1.00 64.22 C ATOM 832 C ARG A 53 1.558 4.234 -4.013 1.00 61.22 C ATOM 833 O ARG A 53 1.567 5.454 -3.918 1.00 44.23 O ATOM 834 CB ARG A 53 0.306 2.914 -5.782 1.00 15.20 C ATOM 835 CG ARG A 53 0.237 2.367 -7.220 1.00 24.44 C ATOM 836 CD ARG A 53 -1.069 1.600 -7.488 1.00 44.44 C ATOM 837 NE ARG A 53 -2.264 2.412 -7.186 1.00 51.13 N ATOM 838 CZ ARG A 53 -3.528 1.965 -7.204 1.00 63.03 C ATOM 839 NH1 ARG A 53 -3.803 0.701 -7.519 1.00 61.54 N ATOM 840 NH2 ARG A 53 -4.514 2.788 -6.866 1.00 25.24 N ATOM 0 H ARG A 53 2.367 1.606 -5.532 1.00 22.12 H new ATOM 0 HA ARG A 53 1.892 4.338 -6.131 1.00 64.22 H new ATOM 0 HB2 ARG A 53 0.104 2.098 -5.089 1.00 15.20 H new ATOM 0 HB3 ARG A 53 -0.489 3.648 -5.650 1.00 15.20 H new ATOM 0 HG2 ARG A 53 0.322 3.193 -7.926 1.00 24.44 H new ATOM 0 HG3 ARG A 53 1.087 1.707 -7.397 1.00 24.44 H new ATOM 0 HD2 ARG A 53 -1.098 1.289 -8.532 1.00 44.44 H new ATOM 0 HD3 ARG A 53 -1.086 0.693 -6.884 1.00 44.44 H new ATOM 0 HE ARG A 53 -2.116 3.392 -6.944 1.00 51.13 H new ATOM 0 HH11 ARG A 53 -3.047 0.057 -7.751 1.00 61.54 H new ATOM 0 HH12 ARG A 53 -4.770 0.376 -7.528 1.00 61.54 H new ATOM 0 HH21 ARG A 53 -4.306 3.749 -6.596 1.00 25.24 H new ATOM 0 HH22 ARG A 53 -5.479 2.459 -6.876 1.00 25.24 H new ATOM 854 N ALA A 54 1.516 3.390 -2.957 1.00 34.43 N ATOM 855 CA ALA A 54 1.439 3.827 -1.547 1.00 22.42 C ATOM 856 C ALA A 54 2.597 4.767 -1.194 1.00 70.41 C ATOM 857 O ALA A 54 2.393 5.832 -0.614 1.00 15.20 O ATOM 858 CB ALA A 54 1.460 2.603 -0.621 1.00 35.40 C ATOM 0 H ALA A 54 1.535 2.376 -3.063 1.00 34.43 H new ATOM 0 HA ALA A 54 0.505 4.372 -1.410 1.00 22.42 H new ATOM 0 HB1 ALA A 54 1.403 2.931 0.417 1.00 35.40 H new ATOM 0 HB2 ALA A 54 0.608 1.962 -0.846 1.00 35.40 H new ATOM 0 HB3 ALA A 54 2.384 2.046 -0.775 1.00 35.40 H new ATOM 864 N LYS A 55 3.803 4.339 -1.601 1.00 73.14 N ATOM 865 CA LYS A 55 5.068 5.049 -1.380 1.00 13.35 C ATOM 866 C LYS A 55 5.073 6.395 -2.113 1.00 44.53 C ATOM 867 O LYS A 55 5.564 7.386 -1.580 1.00 11.12 O ATOM 868 CB LYS A 55 6.226 4.152 -1.877 1.00 50.12 C ATOM 869 CG LYS A 55 7.639 4.738 -1.733 1.00 32.12 C ATOM 870 CD LYS A 55 8.731 3.678 -1.987 1.00 73.31 C ATOM 871 CE LYS A 55 10.142 4.250 -1.834 1.00 41.41 C ATOM 872 NZ LYS A 55 10.410 5.329 -2.811 1.00 21.24 N ATOM 0 H LYS A 55 3.926 3.462 -2.108 1.00 73.14 H new ATOM 0 HA LYS A 55 5.191 5.257 -0.317 1.00 13.35 H new ATOM 0 HB2 LYS A 55 6.188 3.208 -1.333 1.00 50.12 H new ATOM 0 HB3 LYS A 55 6.055 3.921 -2.928 1.00 50.12 H new ATOM 0 HG2 LYS A 55 7.763 5.562 -2.435 1.00 32.12 H new ATOM 0 HG3 LYS A 55 7.760 5.151 -0.732 1.00 32.12 H new ATOM 0 HD2 LYS A 55 8.599 2.850 -1.290 1.00 73.31 H new ATOM 0 HD3 LYS A 55 8.613 3.271 -2.991 1.00 73.31 H new ATOM 0 HE2 LYS A 55 10.269 4.636 -0.823 1.00 41.41 H new ATOM 0 HE3 LYS A 55 10.873 3.452 -1.965 1.00 41.41 H new ATOM 0 HZ1 LYS A 55 11.418 5.584 -2.778 1.00 21.24 H new ATOM 0 HZ2 LYS A 55 10.167 5.000 -3.767 1.00 21.24 H new ATOM 0 HZ3 LYS A 55 9.834 6.162 -2.575 1.00 21.24 H new ATOM 886 N LYS A 56 4.502 6.399 -3.332 1.00 72.12 N ATOM 887 CA LYS A 56 4.379 7.600 -4.179 1.00 33.45 C ATOM 888 C LYS A 56 3.380 8.602 -3.565 1.00 24.24 C ATOM 889 O LYS A 56 3.547 9.816 -3.710 1.00 34.30 O ATOM 890 CB LYS A 56 3.940 7.191 -5.609 1.00 61.11 C ATOM 891 CG LYS A 56 3.922 8.340 -6.651 1.00 64.40 C ATOM 892 CD LYS A 56 3.459 7.874 -8.054 1.00 31.03 C ATOM 893 CE LYS A 56 4.319 6.732 -8.630 1.00 11.50 C ATOM 894 NZ LYS A 56 5.760 7.098 -8.720 1.00 32.40 N ATOM 0 H LYS A 56 4.109 5.561 -3.761 1.00 72.12 H new ATOM 0 HA LYS A 56 5.350 8.091 -4.237 1.00 33.45 H new ATOM 0 HB2 LYS A 56 4.609 6.409 -5.967 1.00 61.11 H new ATOM 0 HB3 LYS A 56 2.942 6.756 -5.555 1.00 61.11 H new ATOM 0 HG2 LYS A 56 3.260 9.132 -6.300 1.00 64.40 H new ATOM 0 HG3 LYS A 56 4.921 8.770 -6.728 1.00 64.40 H new ATOM 0 HD2 LYS A 56 2.421 7.545 -7.996 1.00 31.03 H new ATOM 0 HD3 LYS A 56 3.487 8.722 -8.739 1.00 31.03 H new ATOM 0 HE2 LYS A 56 4.210 5.847 -8.003 1.00 11.50 H new ATOM 0 HE3 LYS A 56 3.951 6.468 -9.621 1.00 11.50 H new ATOM 0 HZ1 LYS A 56 6.289 6.318 -9.160 1.00 32.40 H new ATOM 0 HZ2 LYS A 56 5.865 7.957 -9.297 1.00 32.40 H new ATOM 0 HZ3 LYS A 56 6.133 7.275 -7.766 1.00 32.40 H new ATOM 908 N VAL A 57 2.354 8.079 -2.866 1.00 75.32 N ATOM 909 CA VAL A 57 1.356 8.909 -2.172 1.00 1.35 C ATOM 910 C VAL A 57 1.975 9.520 -0.886 1.00 11.32 C ATOM 911 O VAL A 57 1.762 10.694 -0.607 1.00 2.51 O ATOM 912 CB VAL A 57 0.045 8.101 -1.840 1.00 14.42 C ATOM 913 CG1 VAL A 57 -0.963 8.968 -1.069 1.00 70.11 C ATOM 914 CG2 VAL A 57 -0.613 7.537 -3.125 1.00 53.11 C ATOM 0 H VAL A 57 2.196 7.076 -2.768 1.00 75.32 H new ATOM 0 HA VAL A 57 1.067 9.717 -2.844 1.00 1.35 H new ATOM 0 HB VAL A 57 0.337 7.263 -1.207 1.00 14.42 H new ATOM 0 HG11 VAL A 57 -1.857 8.383 -0.854 1.00 70.11 H new ATOM 0 HG12 VAL A 57 -0.515 9.302 -0.133 1.00 70.11 H new ATOM 0 HG13 VAL A 57 -1.233 9.835 -1.672 1.00 70.11 H new ATOM 0 HG21 VAL A 57 -1.515 6.985 -2.860 1.00 53.11 H new ATOM 0 HG22 VAL A 57 -0.873 8.359 -3.791 1.00 53.11 H new ATOM 0 HG23 VAL A 57 0.086 6.869 -3.629 1.00 53.11 H new ATOM 924 N PHE A 58 2.766 8.716 -0.137 1.00 40.11 N ATOM 925 CA PHE A 58 3.522 9.200 1.053 1.00 14.24 C ATOM 926 C PHE A 58 4.626 10.201 0.630 1.00 73.12 C ATOM 927 O PHE A 58 4.986 11.106 1.389 1.00 22.23 O ATOM 928 CB PHE A 58 4.155 8.019 1.842 1.00 23.02 C ATOM 929 CG PHE A 58 3.161 7.080 2.544 1.00 64.04 C ATOM 930 CD1 PHE A 58 2.194 7.586 3.419 1.00 33.34 C ATOM 931 CD2 PHE A 58 3.209 5.694 2.351 1.00 51.12 C ATOM 932 CE1 PHE A 58 1.313 6.739 4.069 1.00 21.43 C ATOM 933 CE2 PHE A 58 2.328 4.851 3.006 1.00 44.53 C ATOM 934 CZ PHE A 58 1.382 5.374 3.863 1.00 41.05 C ATOM 0 H PHE A 58 2.900 7.724 -0.333 1.00 40.11 H new ATOM 0 HA PHE A 58 2.812 9.707 1.706 1.00 14.24 H new ATOM 0 HB2 PHE A 58 4.760 7.429 1.154 1.00 23.02 H new ATOM 0 HB3 PHE A 58 4.832 8.428 2.592 1.00 23.02 H new ATOM 0 HD1 PHE A 58 2.134 8.651 3.590 1.00 33.34 H new ATOM 0 HD2 PHE A 58 3.945 5.276 1.680 1.00 51.12 H new ATOM 0 HE1 PHE A 58 0.570 7.146 4.739 1.00 21.43 H new ATOM 0 HE2 PHE A 58 2.381 3.784 2.846 1.00 44.53 H new ATOM 0 HZ PHE A 58 0.694 4.716 4.374 1.00 41.05 H new ATOM 944 N ASP A 59 5.142 10.005 -0.593 1.00 21.31 N ATOM 945 CA ASP A 59 6.124 10.895 -1.244 1.00 14.02 C ATOM 946 C ASP A 59 5.457 12.221 -1.631 1.00 5.40 C ATOM 947 O ASP A 59 6.062 13.290 -1.520 1.00 4.22 O ATOM 948 CB ASP A 59 6.705 10.188 -2.496 1.00 23.02 C ATOM 949 CG ASP A 59 7.686 11.047 -3.312 1.00 53.20 C ATOM 950 OD1 ASP A 59 8.857 11.175 -2.907 1.00 34.10 O ATOM 951 OD2 ASP A 59 7.293 11.579 -4.370 1.00 73.14 O ATOM 0 H ASP A 59 4.884 9.206 -1.172 1.00 21.31 H new ATOM 0 HA ASP A 59 6.937 11.113 -0.551 1.00 14.02 H new ATOM 0 HB2 ASP A 59 7.214 9.277 -2.181 1.00 23.02 H new ATOM 0 HB3 ASP A 59 5.881 9.885 -3.143 1.00 23.02 H new ATOM 956 N ALA A 60 4.194 12.127 -2.083 1.00 51.52 N ATOM 957 CA ALA A 60 3.350 13.297 -2.378 1.00 61.11 C ATOM 958 C ALA A 60 3.028 14.067 -1.086 1.00 22.53 C ATOM 959 O ALA A 60 2.991 15.303 -1.082 1.00 63.50 O ATOM 960 CB ALA A 60 2.067 12.855 -3.096 1.00 70.34 C ATOM 0 H ALA A 60 3.729 11.235 -2.254 1.00 51.52 H new ATOM 0 HA ALA A 60 3.895 13.970 -3.040 1.00 61.11 H new ATOM 0 HB1 ALA A 60 1.450 13.728 -3.309 1.00 70.34 H new ATOM 0 HB2 ALA A 60 2.326 12.357 -4.030 1.00 70.34 H new ATOM 0 HB3 ALA A 60 1.512 12.166 -2.459 1.00 70.34 H new ATOM 966 N GLU A 61 2.852 13.311 0.024 1.00 11.45 N ATOM 967 CA GLU A 61 2.664 13.871 1.378 1.00 5.14 C ATOM 968 C GLU A 61 3.975 14.475 1.903 1.00 0.33 C ATOM 969 O GLU A 61 3.974 15.164 2.925 1.00 15.50 O ATOM 970 CB GLU A 61 2.178 12.765 2.367 1.00 75.41 C ATOM 971 CG GLU A 61 0.804 12.149 2.047 1.00 51.45 C ATOM 972 CD GLU A 61 -0.335 13.175 2.063 1.00 1.34 C ATOM 973 OE1 GLU A 61 -0.893 13.444 3.143 1.00 72.04 O ATOM 974 OE2 GLU A 61 -0.682 13.732 1.002 1.00 30.24 O ATOM 0 H GLU A 61 2.837 12.291 0.002 1.00 11.45 H new ATOM 0 HA GLU A 61 1.909 14.654 1.312 1.00 5.14 H new ATOM 0 HB2 GLU A 61 2.920 11.966 2.385 1.00 75.41 H new ATOM 0 HB3 GLU A 61 2.142 13.189 3.370 1.00 75.41 H new ATOM 0 HG2 GLU A 61 0.845 11.676 1.066 1.00 51.45 H new ATOM 0 HG3 GLU A 61 0.587 11.364 2.771 1.00 51.45 H new ATOM 981 N HIS A 62 5.092 14.169 1.192 1.00 54.31 N ATOM 982 CA HIS A 62 6.445 14.638 1.513 1.00 54.34 C ATOM 983 C HIS A 62 6.916 14.115 2.876 1.00 1.44 C ATOM 984 O HIS A 62 7.788 14.701 3.517 1.00 55.14 O ATOM 985 CB HIS A 62 6.541 16.182 1.373 1.00 73.12 C ATOM 986 CG HIS A 62 6.265 16.654 -0.032 1.00 0.14 C ATOM 987 ND1 HIS A 62 5.245 17.518 -0.363 1.00 52.23 N ATOM 988 CD2 HIS A 62 6.880 16.348 -1.195 1.00 54.51 C ATOM 989 CE1 HIS A 62 5.242 17.713 -1.668 1.00 34.33 C ATOM 990 NE2 HIS A 62 6.230 17.019 -2.191 1.00 10.40 N ATOM 0 H HIS A 62 5.064 13.575 0.363 1.00 54.31 H new ATOM 0 HA HIS A 62 7.140 14.219 0.785 1.00 54.34 H new ATOM 0 HB2 HIS A 62 5.832 16.650 2.056 1.00 73.12 H new ATOM 0 HB3 HIS A 62 7.536 16.509 1.674 1.00 73.12 H new ATOM 0 HD2 HIS A 62 7.730 15.693 -1.315 1.00 54.51 H new ATOM 0 HE1 HIS A 62 4.548 18.335 -2.213 1.00 34.33 H new ATOM 0 HE2 HIS A 62 6.472 16.987 -3.181 1.00 10.40 H new ATOM 999 N ASP A 63 6.330 12.970 3.274 1.00 71.03 N ATOM 1000 CA ASP A 63 6.745 12.198 4.439 1.00 35.31 C ATOM 1001 C ASP A 63 7.684 11.092 3.937 1.00 73.35 C ATOM 1002 O ASP A 63 7.220 10.042 3.465 1.00 12.21 O ATOM 1003 CB ASP A 63 5.507 11.596 5.176 1.00 13.55 C ATOM 1004 CG ASP A 63 5.823 11.138 6.618 1.00 4.53 C ATOM 1005 OD1 ASP A 63 6.634 10.205 6.803 1.00 63.05 O ATOM 1006 OD2 ASP A 63 5.286 11.733 7.577 1.00 55.41 O ATOM 0 H ASP A 63 5.540 12.556 2.779 1.00 71.03 H new ATOM 0 HA ASP A 63 7.259 12.834 5.160 1.00 35.31 H new ATOM 0 HB2 ASP A 63 4.711 12.340 5.204 1.00 13.55 H new ATOM 0 HB3 ASP A 63 5.130 10.747 4.606 1.00 13.55 H new ATOM 1011 N THR A 64 8.999 11.371 3.977 1.00 51.50 N ATOM 1012 CA THR A 64 10.029 10.444 3.480 1.00 23.34 C ATOM 1013 C THR A 64 9.993 9.106 4.238 1.00 71.02 C ATOM 1014 O THR A 64 10.177 8.060 3.639 1.00 72.21 O ATOM 1015 CB THR A 64 11.470 11.077 3.550 1.00 71.31 C ATOM 1016 OG1 THR A 64 12.442 10.188 2.963 1.00 10.21 O ATOM 1017 CG2 THR A 64 11.904 11.418 4.990 1.00 53.13 C ATOM 0 H THR A 64 9.375 12.241 4.353 1.00 51.50 H new ATOM 0 HA THR A 64 9.800 10.250 2.432 1.00 23.34 H new ATOM 0 HB THR A 64 11.422 12.009 2.986 1.00 71.31 H new ATOM 0 HG1 THR A 64 13.331 10.597 3.013 1.00 10.21 H new ATOM 0 HG21 THR A 64 12.904 11.851 4.976 1.00 53.13 H new ATOM 0 HG22 THR A 64 11.205 12.135 5.421 1.00 53.13 H new ATOM 0 HG23 THR A 64 11.910 10.510 5.593 1.00 53.13 H new ATOM 1025 N ASP A 65 9.690 9.163 5.553 1.00 44.33 N ATOM 1026 CA ASP A 65 9.729 7.993 6.447 1.00 3.44 C ATOM 1027 C ASP A 65 8.585 7.009 6.137 1.00 75.02 C ATOM 1028 O ASP A 65 8.756 5.793 6.262 1.00 64.23 O ATOM 1029 CB ASP A 65 9.668 8.464 7.923 1.00 13.44 C ATOM 1030 CG ASP A 65 9.708 7.302 8.937 1.00 70.14 C ATOM 1031 OD1 ASP A 65 10.792 6.716 9.129 1.00 65.52 O ATOM 1032 OD2 ASP A 65 8.665 6.974 9.539 1.00 14.22 O ATOM 0 H ASP A 65 9.411 10.025 6.022 1.00 44.33 H new ATOM 0 HA ASP A 65 10.666 7.461 6.280 1.00 3.44 H new ATOM 0 HB2 ASP A 65 10.504 9.136 8.118 1.00 13.44 H new ATOM 0 HB3 ASP A 65 8.755 9.039 8.076 1.00 13.44 H new ATOM 1037 N GLY A 66 7.422 7.552 5.733 1.00 70.21 N ATOM 1038 CA GLY A 66 6.274 6.743 5.312 1.00 10.11 C ATOM 1039 C GLY A 66 6.544 6.026 4.004 1.00 51.03 C ATOM 1040 O GLY A 66 6.178 4.851 3.832 1.00 2.44 O ATOM 0 H GLY A 66 7.257 8.558 5.691 1.00 70.21 H new ATOM 0 HA2 GLY A 66 6.040 6.012 6.086 1.00 10.11 H new ATOM 0 HA3 GLY A 66 5.398 7.383 5.202 1.00 10.11 H new ATOM 1044 N ALA A 67 7.203 6.748 3.087 1.00 24.32 N ATOM 1045 CA ALA A 67 7.652 6.202 1.802 1.00 72.40 C ATOM 1046 C ALA A 67 8.741 5.121 2.013 1.00 10.43 C ATOM 1047 O ALA A 67 8.743 4.095 1.336 1.00 3.24 O ATOM 1048 CB ALA A 67 8.157 7.344 0.918 1.00 60.45 C ATOM 0 H ALA A 67 7.440 7.731 3.218 1.00 24.32 H new ATOM 0 HA ALA A 67 6.814 5.717 1.301 1.00 72.40 H new ATOM 0 HB1 ALA A 67 8.492 6.943 -0.039 1.00 60.45 H new ATOM 0 HB2 ALA A 67 7.351 8.058 0.750 1.00 60.45 H new ATOM 0 HB3 ALA A 67 8.989 7.846 1.412 1.00 60.45 H new ATOM 1054 N ARG A 68 9.632 5.364 2.992 1.00 21.02 N ATOM 1055 CA ARG A 68 10.731 4.444 3.357 1.00 3.33 C ATOM 1056 C ARG A 68 10.190 3.180 4.059 1.00 11.11 C ATOM 1057 O ARG A 68 10.815 2.118 3.992 1.00 72.04 O ATOM 1058 CB ARG A 68 11.802 5.173 4.228 1.00 24.23 C ATOM 1059 CG ARG A 68 12.637 6.225 3.450 1.00 65.42 C ATOM 1060 CD ARG A 68 13.616 7.021 4.344 1.00 24.10 C ATOM 1061 NE ARG A 68 14.641 6.164 4.967 1.00 3.44 N ATOM 1062 CZ ARG A 68 15.776 6.598 5.557 1.00 64.14 C ATOM 1063 NH1 ARG A 68 16.079 7.901 5.625 1.00 13.44 N ATOM 1064 NH2 ARG A 68 16.609 5.712 6.082 1.00 40.42 N ATOM 0 H ARG A 68 9.611 6.212 3.559 1.00 21.02 H new ATOM 0 HA ARG A 68 11.220 4.120 2.438 1.00 3.33 H new ATOM 0 HB2 ARG A 68 11.303 5.665 5.063 1.00 24.23 H new ATOM 0 HB3 ARG A 68 12.477 4.430 4.653 1.00 24.23 H new ATOM 0 HG2 ARG A 68 13.202 5.721 2.666 1.00 65.42 H new ATOM 0 HG3 ARG A 68 11.960 6.922 2.957 1.00 65.42 H new ATOM 0 HD2 ARG A 68 14.105 7.790 3.746 1.00 24.10 H new ATOM 0 HD3 ARG A 68 13.054 7.534 5.124 1.00 24.10 H new ATOM 0 HE ARG A 68 14.479 5.157 4.951 1.00 3.44 H new ATOM 0 HH11 ARG A 68 15.446 8.593 5.225 1.00 13.44 H new ATOM 0 HH12 ARG A 68 16.943 8.201 6.077 1.00 13.44 H new ATOM 0 HH21 ARG A 68 16.390 4.717 6.037 1.00 40.42 H new ATOM 0 HH22 ARG A 68 17.470 6.025 6.531 1.00 40.42 H new ATOM 1078 N ARG A 69 9.043 3.317 4.749 1.00 21.42 N ATOM 1079 CA ARG A 69 8.353 2.185 5.407 1.00 4.44 C ATOM 1080 C ARG A 69 7.728 1.266 4.324 1.00 4.25 C ATOM 1081 O ARG A 69 7.777 0.032 4.429 1.00 42.10 O ATOM 1082 CB ARG A 69 7.278 2.720 6.419 1.00 3.23 C ATOM 1083 CG ARG A 69 7.148 1.907 7.738 1.00 44.04 C ATOM 1084 CD ARG A 69 6.665 0.459 7.534 1.00 22.10 C ATOM 1085 NE ARG A 69 6.758 -0.349 8.760 1.00 50.34 N ATOM 1086 CZ ARG A 69 6.810 -1.698 8.789 1.00 11.03 C ATOM 1087 NH1 ARG A 69 6.765 -2.413 7.666 1.00 20.13 N ATOM 1088 NH2 ARG A 69 6.921 -2.318 9.955 1.00 1.04 N ATOM 0 H ARG A 69 8.567 4.211 4.868 1.00 21.42 H new ATOM 0 HA ARG A 69 9.068 1.594 5.980 1.00 4.44 H new ATOM 0 HB2 ARG A 69 7.521 3.753 6.670 1.00 3.23 H new ATOM 0 HB3 ARG A 69 6.308 2.732 5.921 1.00 3.23 H new ATOM 0 HG2 ARG A 69 8.116 1.889 8.239 1.00 44.04 H new ATOM 0 HG3 ARG A 69 6.454 2.421 8.403 1.00 44.04 H new ATOM 0 HD2 ARG A 69 5.631 0.470 7.189 1.00 22.10 H new ATOM 0 HD3 ARG A 69 7.258 -0.010 6.749 1.00 22.10 H new ATOM 0 HE ARG A 69 6.785 0.145 9.652 1.00 50.34 H new ATOM 0 HH11 ARG A 69 6.690 -1.942 6.764 1.00 20.13 H new ATOM 0 HH12 ARG A 69 6.806 -3.431 7.708 1.00 20.13 H new ATOM 0 HH21 ARG A 69 6.966 -1.777 10.818 1.00 1.04 H new ATOM 0 HH22 ARG A 69 6.961 -3.337 9.989 1.00 1.04 H new ATOM 1102 N ALA A 70 7.155 1.896 3.276 1.00 20.41 N ATOM 1103 CA ALA A 70 6.660 1.182 2.086 1.00 12.35 C ATOM 1104 C ALA A 70 7.837 0.567 1.296 1.00 12.32 C ATOM 1105 O ALA A 70 7.678 -0.473 0.658 1.00 22.12 O ATOM 1106 CB ALA A 70 5.821 2.120 1.206 1.00 54.25 C ATOM 0 H ALA A 70 7.025 2.907 3.234 1.00 20.41 H new ATOM 0 HA ALA A 70 6.015 0.366 2.410 1.00 12.35 H new ATOM 0 HB1 ALA A 70 5.464 1.576 0.332 1.00 54.25 H new ATOM 0 HB2 ALA A 70 4.969 2.489 1.777 1.00 54.25 H new ATOM 0 HB3 ALA A 70 6.434 2.962 0.884 1.00 54.25 H new ATOM 1112 N ALA A 71 9.024 1.225 1.367 1.00 63.14 N ATOM 1113 CA ALA A 71 10.277 0.731 0.762 1.00 42.20 C ATOM 1114 C ALA A 71 10.846 -0.466 1.538 1.00 5.13 C ATOM 1115 O ALA A 71 11.564 -1.292 0.964 1.00 71.23 O ATOM 1116 CB ALA A 71 11.322 1.854 0.686 1.00 62.04 C ATOM 0 H ALA A 71 9.133 2.117 1.849 1.00 63.14 H new ATOM 0 HA ALA A 71 10.041 0.397 -0.248 1.00 42.20 H new ATOM 0 HB1 ALA A 71 12.238 1.469 0.237 1.00 62.04 H new ATOM 0 HB2 ALA A 71 10.935 2.671 0.077 1.00 62.04 H new ATOM 0 HB3 ALA A 71 11.536 2.220 1.690 1.00 62.04 H new ATOM 1122 N LYS A 72 10.551 -0.533 2.851 1.00 25.42 N ATOM 1123 CA LYS A 72 10.922 -1.685 3.688 1.00 73.40 C ATOM 1124 C LYS A 72 10.122 -2.914 3.240 1.00 40.12 C ATOM 1125 O LYS A 72 10.692 -3.976 2.971 1.00 32.03 O ATOM 1126 CB LYS A 72 10.684 -1.378 5.200 1.00 23.32 C ATOM 1127 CG LYS A 72 10.960 -2.561 6.174 1.00 53.52 C ATOM 1128 CD LYS A 72 12.386 -3.176 6.071 1.00 43.53 C ATOM 1129 CE LYS A 72 13.501 -2.334 6.726 1.00 2.43 C ATOM 1130 NZ LYS A 72 13.683 -1.001 6.093 1.00 1.51 N ATOM 0 H LYS A 72 10.054 0.202 3.354 1.00 25.42 H new ATOM 0 HA LYS A 72 11.986 -1.889 3.564 1.00 73.40 H new ATOM 0 HB2 LYS A 72 11.317 -0.538 5.487 1.00 23.32 H new ATOM 0 HB3 LYS A 72 9.651 -1.057 5.330 1.00 23.32 H new ATOM 0 HG2 LYS A 72 10.802 -2.216 7.196 1.00 53.52 H new ATOM 0 HG3 LYS A 72 10.227 -3.346 5.986 1.00 53.52 H new ATOM 0 HD2 LYS A 72 12.375 -4.163 6.534 1.00 43.53 H new ATOM 0 HD3 LYS A 72 12.629 -3.320 5.018 1.00 43.53 H new ATOM 0 HE2 LYS A 72 13.270 -2.198 7.783 1.00 2.43 H new ATOM 0 HE3 LYS A 72 14.440 -2.884 6.673 1.00 2.43 H new ATOM 0 HZ1 LYS A 72 14.691 -0.744 6.108 1.00 1.51 H new ATOM 0 HZ2 LYS A 72 13.350 -1.036 5.109 1.00 1.51 H new ATOM 0 HZ3 LYS A 72 13.136 -0.289 6.619 1.00 1.51 H new ATOM 1144 N SER A 73 8.803 -2.727 3.116 1.00 5.12 N ATOM 1145 CA SER A 73 7.879 -3.763 2.640 1.00 5.11 C ATOM 1146 C SER A 73 8.191 -4.165 1.179 1.00 43.12 C ATOM 1147 O SER A 73 7.988 -5.321 0.787 1.00 2.33 O ATOM 1148 CB SER A 73 6.445 -3.235 2.787 1.00 1.41 C ATOM 1149 OG SER A 73 6.197 -2.840 4.121 1.00 33.22 O ATOM 0 H SER A 73 8.343 -1.846 3.345 1.00 5.12 H new ATOM 0 HA SER A 73 7.996 -4.666 3.239 1.00 5.11 H new ATOM 0 HB2 SER A 73 6.292 -2.389 2.117 1.00 1.41 H new ATOM 0 HB3 SER A 73 5.735 -4.008 2.492 1.00 1.41 H new ATOM 0 HG SER A 73 6.586 -1.954 4.278 1.00 33.22 H new ATOM 1155 N LEU A 74 8.707 -3.190 0.395 1.00 31.43 N ATOM 1156 CA LEU A 74 9.161 -3.410 -0.990 1.00 53.42 C ATOM 1157 C LEU A 74 10.396 -4.307 -1.045 1.00 61.44 C ATOM 1158 O LEU A 74 10.421 -5.241 -1.826 1.00 23.02 O ATOM 1159 CB LEU A 74 9.433 -2.057 -1.720 1.00 72.24 C ATOM 1160 CG LEU A 74 8.202 -1.441 -2.436 1.00 74.14 C ATOM 1161 CD1 LEU A 74 8.457 -0.006 -2.907 1.00 40.53 C ATOM 1162 CD2 LEU A 74 7.751 -2.333 -3.608 1.00 32.14 C ATOM 0 H LEU A 74 8.819 -2.226 0.710 1.00 31.43 H new ATOM 0 HA LEU A 74 8.353 -3.923 -1.512 1.00 53.42 H new ATOM 0 HB2 LEU A 74 9.809 -1.338 -0.992 1.00 72.24 H new ATOM 0 HB3 LEU A 74 10.223 -2.210 -2.455 1.00 72.24 H new ATOM 0 HG LEU A 74 7.397 -1.394 -1.703 1.00 74.14 H new ATOM 0 HD11 LEU A 74 7.565 0.379 -3.401 1.00 40.53 H new ATOM 0 HD12 LEU A 74 8.695 0.622 -2.048 1.00 40.53 H new ATOM 0 HD13 LEU A 74 9.293 0.004 -3.607 1.00 40.53 H new ATOM 0 HD21 LEU A 74 6.887 -1.883 -4.096 1.00 32.14 H new ATOM 0 HD22 LEU A 74 8.565 -2.429 -4.327 1.00 32.14 H new ATOM 0 HD23 LEU A 74 7.482 -3.320 -3.232 1.00 32.14 H new ATOM 1174 N SER A 75 11.420 -4.017 -0.216 1.00 71.04 N ATOM 1175 CA SER A 75 12.695 -4.773 -0.231 1.00 31.44 C ATOM 1176 C SER A 75 12.462 -6.246 0.171 1.00 32.23 C ATOM 1177 O SER A 75 13.099 -7.148 -0.378 1.00 1.22 O ATOM 1178 CB SER A 75 13.733 -4.093 0.687 1.00 14.24 C ATOM 1179 OG SER A 75 13.236 -3.904 2.001 1.00 32.03 O ATOM 0 H SER A 75 11.391 -3.265 0.473 1.00 71.04 H new ATOM 0 HA SER A 75 13.092 -4.769 -1.246 1.00 31.44 H new ATOM 0 HB2 SER A 75 14.637 -4.701 0.725 1.00 14.24 H new ATOM 0 HB3 SER A 75 14.015 -3.129 0.264 1.00 14.24 H new ATOM 0 HG SER A 75 12.277 -4.107 2.021 1.00 32.03 H new ATOM 1185 N GLU A 76 11.511 -6.459 1.105 1.00 64.14 N ATOM 1186 CA GLU A 76 11.030 -7.803 1.498 1.00 1.22 C ATOM 1187 C GLU A 76 10.367 -8.506 0.292 1.00 22.05 C ATOM 1188 O GLU A 76 10.610 -9.687 0.025 1.00 5.14 O ATOM 1189 CB GLU A 76 10.003 -7.657 2.652 1.00 43.40 C ATOM 1190 CG GLU A 76 10.570 -7.042 3.951 1.00 33.14 C ATOM 1191 CD GLU A 76 9.470 -6.637 4.952 1.00 2.42 C ATOM 1192 OE1 GLU A 76 8.686 -7.515 5.379 1.00 55.14 O ATOM 1193 OE2 GLU A 76 9.360 -5.449 5.304 1.00 44.11 O ATOM 0 H GLU A 76 11.053 -5.701 1.611 1.00 64.14 H new ATOM 0 HA GLU A 76 11.875 -8.406 1.831 1.00 1.22 H new ATOM 0 HB2 GLU A 76 9.174 -7.039 2.306 1.00 43.40 H new ATOM 0 HB3 GLU A 76 9.593 -8.641 2.881 1.00 43.40 H new ATOM 0 HG2 GLU A 76 11.239 -7.760 4.425 1.00 33.14 H new ATOM 0 HG3 GLU A 76 11.168 -6.165 3.701 1.00 33.14 H new ATOM 1200 N ALA A 77 9.543 -7.728 -0.437 1.00 75.42 N ATOM 1201 CA ALA A 77 8.804 -8.196 -1.619 1.00 4.31 C ATOM 1202 C ALA A 77 9.762 -8.581 -2.771 1.00 55.34 C ATOM 1203 O ALA A 77 9.560 -9.591 -3.443 1.00 51.44 O ATOM 1204 CB ALA A 77 7.801 -7.115 -2.063 1.00 13.31 C ATOM 0 H ALA A 77 9.372 -6.747 -0.217 1.00 75.42 H new ATOM 0 HA ALA A 77 8.254 -9.098 -1.351 1.00 4.31 H new ATOM 0 HB1 ALA A 77 7.254 -7.464 -2.939 1.00 13.31 H new ATOM 0 HB2 ALA A 77 7.099 -6.915 -1.253 1.00 13.31 H new ATOM 0 HB3 ALA A 77 8.339 -6.200 -2.311 1.00 13.31 H new ATOM 1210 N TYR A 78 10.829 -7.782 -2.947 1.00 52.34 N ATOM 1211 CA TYR A 78 11.845 -7.993 -3.992 1.00 4.42 C ATOM 1212 C TYR A 78 12.698 -9.238 -3.711 1.00 22.21 C ATOM 1213 O TYR A 78 13.336 -9.746 -4.614 1.00 43.32 O ATOM 1214 CB TYR A 78 12.741 -6.735 -4.163 1.00 30.24 C ATOM 1215 CG TYR A 78 12.019 -5.542 -4.813 1.00 10.44 C ATOM 1216 CD1 TYR A 78 11.376 -5.687 -6.043 1.00 54.11 C ATOM 1217 CD2 TYR A 78 11.959 -4.288 -4.199 1.00 11.43 C ATOM 1218 CE1 TYR A 78 10.701 -4.638 -6.625 1.00 31.54 C ATOM 1219 CE2 TYR A 78 11.274 -3.236 -4.775 1.00 74.14 C ATOM 1220 CZ TYR A 78 10.651 -3.414 -5.986 1.00 21.42 C ATOM 1221 OH TYR A 78 9.954 -2.367 -6.558 1.00 33.34 O ATOM 0 H TYR A 78 11.011 -6.966 -2.363 1.00 52.34 H new ATOM 0 HA TYR A 78 11.315 -8.163 -4.929 1.00 4.42 H new ATOM 0 HB2 TYR A 78 13.116 -6.432 -3.185 1.00 30.24 H new ATOM 0 HB3 TYR A 78 13.608 -6.997 -4.770 1.00 30.24 H new ATOM 0 HD1 TYR A 78 11.409 -6.641 -6.548 1.00 54.11 H new ATOM 0 HD2 TYR A 78 12.459 -4.138 -3.254 1.00 11.43 H new ATOM 0 HE1 TYR A 78 10.212 -4.771 -7.579 1.00 31.54 H new ATOM 0 HE2 TYR A 78 11.229 -2.279 -4.276 1.00 74.14 H new ATOM 0 HH TYR A 78 10.017 -1.578 -5.980 1.00 33.34 H new ATOM 1231 N GLN A 79 12.747 -9.676 -2.442 1.00 50.34 N ATOM 1232 CA GLN A 79 13.416 -10.933 -2.055 1.00 25.13 C ATOM 1233 C GLN A 79 12.542 -12.162 -2.387 1.00 4.21 C ATOM 1234 O GLN A 79 13.062 -13.248 -2.654 1.00 4.22 O ATOM 1235 CB GLN A 79 13.757 -10.912 -0.552 1.00 54.24 C ATOM 1236 CG GLN A 79 14.795 -9.847 -0.150 1.00 42.15 C ATOM 1237 CD GLN A 79 14.977 -9.694 1.366 1.00 42.34 C ATOM 1238 OE1 GLN A 79 15.258 -8.597 1.854 1.00 3.32 O ATOM 1239 NE2 GLN A 79 14.849 -10.783 2.123 1.00 61.20 N ATOM 0 H GLN A 79 12.328 -9.174 -1.659 1.00 50.34 H new ATOM 0 HA GLN A 79 14.338 -11.013 -2.630 1.00 25.13 H new ATOM 0 HB2 GLN A 79 12.841 -10.741 0.014 1.00 54.24 H new ATOM 0 HB3 GLN A 79 14.131 -11.894 -0.263 1.00 54.24 H new ATOM 0 HG2 GLN A 79 15.755 -10.104 -0.597 1.00 42.15 H new ATOM 0 HG3 GLN A 79 14.495 -8.886 -0.568 1.00 42.15 H new ATOM 0 HE21 GLN A 79 14.616 -11.678 1.693 1.00 61.20 H new ATOM 0 HE22 GLN A 79 14.984 -10.721 3.132 1.00 61.20 H new ATOM 1248 N LYS A 80 11.207 -11.988 -2.338 1.00 2.21 N ATOM 1249 CA LYS A 80 10.247 -13.073 -2.648 1.00 31.13 C ATOM 1250 C LYS A 80 10.048 -13.220 -4.172 1.00 73.24 C ATOM 1251 O LYS A 80 9.675 -14.293 -4.659 1.00 2.14 O ATOM 1252 CB LYS A 80 8.896 -12.808 -1.942 1.00 51.14 C ATOM 1253 CG LYS A 80 8.988 -12.768 -0.401 1.00 61.31 C ATOM 1254 CD LYS A 80 7.632 -12.469 0.278 1.00 52.32 C ATOM 1255 CE LYS A 80 7.746 -12.404 1.808 1.00 61.42 C ATOM 1256 NZ LYS A 80 6.443 -12.095 2.459 1.00 25.45 N ATOM 0 H LYS A 80 10.765 -11.104 -2.086 1.00 2.21 H new ATOM 0 HA LYS A 80 10.658 -14.011 -2.275 1.00 31.13 H new ATOM 0 HB2 LYS A 80 8.493 -11.859 -2.296 1.00 51.14 H new ATOM 0 HB3 LYS A 80 8.188 -13.584 -2.233 1.00 51.14 H new ATOM 0 HG2 LYS A 80 9.365 -13.725 -0.040 1.00 61.31 H new ATOM 0 HG3 LYS A 80 9.711 -12.008 -0.105 1.00 61.31 H new ATOM 0 HD2 LYS A 80 7.243 -11.522 -0.095 1.00 52.32 H new ATOM 0 HD3 LYS A 80 6.913 -13.240 0.002 1.00 52.32 H new ATOM 0 HE2 LYS A 80 8.120 -13.357 2.183 1.00 61.42 H new ATOM 0 HE3 LYS A 80 8.477 -11.644 2.084 1.00 61.42 H new ATOM 0 HZ1 LYS A 80 6.605 -11.491 3.290 1.00 25.45 H new ATOM 0 HZ2 LYS A 80 5.827 -11.598 1.784 1.00 25.45 H new ATOM 0 HZ3 LYS A 80 5.986 -12.980 2.758 1.00 25.45 H new ATOM 1270 N VAL A 81 10.283 -12.121 -4.910 1.00 33.04 N ATOM 1271 CA VAL A 81 10.271 -12.117 -6.387 1.00 62.40 C ATOM 1272 C VAL A 81 11.656 -12.534 -6.913 1.00 12.11 C ATOM 1273 O VAL A 81 11.766 -13.403 -7.783 1.00 40.45 O ATOM 1274 CB VAL A 81 9.865 -10.699 -6.944 1.00 71.32 C ATOM 1275 CG1 VAL A 81 9.983 -10.610 -8.489 1.00 50.52 C ATOM 1276 CG2 VAL A 81 8.436 -10.337 -6.483 1.00 44.12 C ATOM 0 H VAL A 81 10.487 -11.209 -4.501 1.00 33.04 H new ATOM 0 HA VAL A 81 9.527 -12.833 -6.736 1.00 62.40 H new ATOM 0 HB VAL A 81 10.570 -9.975 -6.535 1.00 71.32 H new ATOM 0 HG11 VAL A 81 9.692 -9.613 -8.819 1.00 50.52 H new ATOM 0 HG12 VAL A 81 11.013 -10.804 -8.787 1.00 50.52 H new ATOM 0 HG13 VAL A 81 9.327 -11.350 -8.947 1.00 50.52 H new ATOM 0 HG21 VAL A 81 8.165 -9.356 -6.873 1.00 44.12 H new ATOM 0 HG22 VAL A 81 7.734 -11.082 -6.856 1.00 44.12 H new ATOM 0 HG23 VAL A 81 8.399 -10.317 -5.394 1.00 44.12 H new