USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 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 Single : A 1 GLY N :NH3+ 171:sc=-0.00482 (180deg=-0.0921) USER MOD Single : A 5 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.68) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -16:sc= 0.505! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0902 (180deg=-0.43) USER MOD Single : A 19 GLN : amide:sc= -0.785 K(o=-0.78,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 57:sc= 0.00609 USER MOD Single : A 28 GLN : amide:sc= -2.36 K(o=-2.4,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= -0.43 (180deg=-1.47!) USER MOD Single : A 41 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 49 GLN : amide:sc= -0.091 K(o=-0.091,f=-1.7!) USER MOD Single : A 51 GLN : amide:sc= -2.11 K(o=-2.1,f=-10!) USER MOD Single : A 53 GLN : amide:sc= -0.54 K(o=-0.54,f=-1.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.024 (180deg=-0.293) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -160:sc= -1.12 (180deg=-2.51!) USER MOD Single : A 63 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 58:sc= -0.137 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 163:sc= -0.35! USER MOD Single : A 75 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.37) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0336) USER MOD Single : A 80 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.073) USER MOD Single : A 82 ASN : amide:sc= -0.579 K(o=-0.58,f=-2.1!) USER MOD Single : A 83 ASN : amide:sc=-0.00558 K(o=-0.0056,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.308 11.569 -12.510 1.00 22.34 N ATOM 2 CA GLY A 1 9.661 10.563 -13.494 1.00 63.31 C ATOM 3 C GLY A 1 10.017 9.232 -12.861 1.00 44.14 C ATOM 4 O GLY A 1 10.911 8.531 -13.336 1.00 13.13 O ATOM 0 H1 GLY A 1 9.222 12.495 -12.976 1.00 22.34 H new ATOM 0 H2 GLY A 1 8.401 11.318 -12.067 1.00 22.34 H new ATOM 0 H3 GLY A 1 10.048 11.616 -11.781 1.00 22.34 H new ATOM 0 HA2 GLY A 1 8.827 10.423 -14.181 1.00 63.31 H new ATOM 0 HA3 GLY A 1 10.505 10.918 -14.085 1.00 63.31 H new ATOM 8 N ALA A 2 9.318 8.884 -11.786 1.00 43.01 N ATOM 9 CA ALA A 2 9.565 7.629 -11.088 1.00 24.33 C ATOM 10 C ALA A 2 8.303 7.128 -10.395 1.00 55.00 C ATOM 11 O ALA A 2 7.368 7.893 -10.162 1.00 15.04 O ATOM 12 CB ALA A 2 10.691 7.799 -10.078 1.00 41.13 C ATOM 0 H ALA A 2 8.576 9.454 -11.380 1.00 43.01 H new ATOM 0 HA ALA A 2 9.863 6.885 -11.826 1.00 24.33 H new ATOM 0 HB1 ALA A 2 10.865 6.854 -9.564 1.00 41.13 H new ATOM 0 HB2 ALA A 2 11.601 8.103 -10.595 1.00 41.13 H new ATOM 0 HB3 ALA A 2 10.415 8.562 -9.350 1.00 41.13 H new ATOM 18 N GLU A 3 8.283 5.839 -10.070 1.00 12.12 N ATOM 19 CA GLU A 3 7.133 5.237 -9.405 1.00 51.32 C ATOM 20 C GLU A 3 7.503 4.758 -8.005 1.00 24.14 C ATOM 21 O GLU A 3 6.802 5.040 -7.034 1.00 73.23 O ATOM 22 CB GLU A 3 6.593 4.067 -10.231 1.00 4.25 C ATOM 23 CG GLU A 3 6.073 4.476 -11.598 1.00 51.02 C ATOM 24 CD GLU A 3 4.655 5.011 -11.547 1.00 0.22 C ATOM 25 OE1 GLU A 3 3.950 4.726 -10.556 1.00 53.22 O ATOM 26 OE2 GLU A 3 4.251 5.714 -12.496 1.00 53.02 O ATOM 0 H GLU A 3 9.049 5.192 -10.256 1.00 12.12 H new ATOM 0 HA GLU A 3 6.358 5.998 -9.316 1.00 51.32 H new ATOM 0 HB2 GLU A 3 7.384 3.328 -10.359 1.00 4.25 H new ATOM 0 HB3 GLU A 3 5.790 3.582 -9.676 1.00 4.25 H new ATOM 0 HG2 GLU A 3 6.730 5.237 -12.019 1.00 51.02 H new ATOM 0 HG3 GLU A 3 6.109 3.617 -12.268 1.00 51.02 H new ATOM 33 N GLY A 4 8.612 4.030 -7.908 1.00 42.34 N ATOM 34 CA GLY A 4 9.057 3.522 -6.624 1.00 0.32 C ATOM 35 C GLY A 4 9.645 2.129 -6.723 1.00 75.54 C ATOM 36 O GLY A 4 10.465 1.733 -5.896 1.00 53.12 O ATOM 0 H GLY A 4 9.210 3.783 -8.697 1.00 42.34 H new ATOM 0 HA2 GLY A 4 9.803 4.199 -6.208 1.00 0.32 H new ATOM 0 HA3 GLY A 4 8.216 3.509 -5.931 1.00 0.32 H new ATOM 40 N ASN A 5 9.223 1.381 -7.738 1.00 54.34 N ATOM 41 CA ASN A 5 9.711 0.022 -7.942 1.00 10.24 C ATOM 42 C ASN A 5 10.492 -0.085 -9.248 1.00 23.44 C ATOM 43 O ASN A 5 9.950 -0.487 -10.278 1.00 1.11 O ATOM 44 CB ASN A 5 8.543 -0.966 -7.950 1.00 53.23 C ATOM 45 CG ASN A 5 7.394 -0.495 -8.821 1.00 52.00 C ATOM 46 OD1 ASN A 5 7.287 -0.876 -9.987 1.00 21.23 O ATOM 47 ND2 ASN A 5 6.527 0.339 -8.257 1.00 64.42 N ATOM 0 H ASN A 5 8.544 1.694 -8.432 1.00 54.34 H new ATOM 0 HA ASN A 5 10.380 -0.225 -7.118 1.00 10.24 H new ATOM 0 HB2 ASN A 5 8.893 -1.935 -8.307 1.00 53.23 H new ATOM 0 HB3 ASN A 5 8.187 -1.111 -6.930 1.00 53.23 H new ATOM 0 HD21 ASN A 5 5.734 0.690 -8.794 1.00 64.42 H new ATOM 0 HD22 ASN A 5 6.655 0.628 -7.287 1.00 64.42 H new ATOM 54 N THR A 6 11.771 0.276 -9.198 1.00 31.45 N ATOM 55 CA THR A 6 12.627 0.220 -10.375 1.00 43.54 C ATOM 56 C THR A 6 13.130 -1.197 -10.624 1.00 72.11 C ATOM 57 O THR A 6 14.272 -1.528 -10.301 1.00 54.31 O ATOM 58 CB THR A 6 13.837 1.164 -10.236 1.00 15.45 C ATOM 59 OG1 THR A 6 13.438 2.378 -9.588 1.00 23.10 O ATOM 60 CG2 THR A 6 14.435 1.483 -11.597 1.00 53.14 C ATOM 0 H THR A 6 12.236 0.610 -8.354 1.00 31.45 H new ATOM 0 HA THR A 6 12.020 0.541 -11.221 1.00 43.54 H new ATOM 0 HB THR A 6 14.594 0.662 -9.634 1.00 15.45 H new ATOM 0 HG1 THR A 6 14.212 2.972 -9.501 1.00 23.10 H new ATOM 0 HG21 THR A 6 15.287 2.151 -11.472 1.00 53.14 H new ATOM 0 HG22 THR A 6 14.764 0.560 -12.075 1.00 53.14 H new ATOM 0 HG23 THR A 6 13.683 1.967 -12.220 1.00 53.14 H new ATOM 68 N LEU A 7 12.271 -2.031 -11.200 1.00 64.32 N ATOM 69 CA LEU A 7 12.629 -3.415 -11.493 1.00 51.03 C ATOM 70 C LEU A 7 13.917 -3.484 -12.307 1.00 3.20 C ATOM 71 O LEU A 7 14.183 -2.618 -13.141 1.00 71.14 O ATOM 72 CB LEU A 7 11.495 -4.105 -12.253 1.00 71.41 C ATOM 73 CG LEU A 7 10.164 -4.224 -11.510 1.00 30.42 C ATOM 74 CD1 LEU A 7 9.166 -5.028 -12.328 1.00 75.22 C ATOM 75 CD2 LEU A 7 10.371 -4.861 -10.143 1.00 44.12 C ATOM 0 H LEU A 7 11.323 -1.774 -11.473 1.00 64.32 H new ATOM 0 HA LEU A 7 12.791 -3.931 -10.547 1.00 51.03 H new ATOM 0 HB2 LEU A 7 11.323 -3.560 -13.181 1.00 71.41 H new ATOM 0 HB3 LEU A 7 11.826 -5.107 -12.528 1.00 71.41 H new ATOM 0 HG LEU A 7 9.761 -3.222 -11.365 1.00 30.42 H new ATOM 0 HD11 LEU A 7 8.225 -5.102 -11.783 1.00 75.22 H new ATOM 0 HD12 LEU A 7 8.994 -4.531 -13.283 1.00 75.22 H new ATOM 0 HD13 LEU A 7 9.562 -6.028 -12.505 1.00 75.22 H new ATOM 0 HD21 LEU A 7 9.413 -4.938 -9.629 1.00 44.12 H new ATOM 0 HD22 LEU A 7 10.797 -5.857 -10.266 1.00 44.12 H new ATOM 0 HD23 LEU A 7 11.051 -4.246 -9.554 1.00 44.12 H new ATOM 87 N ILE A 8 14.712 -4.519 -12.060 1.00 23.32 N ATOM 88 CA ILE A 8 15.971 -4.703 -12.772 1.00 12.40 C ATOM 89 C ILE A 8 16.102 -6.128 -13.298 1.00 5.13 C ATOM 90 O ILE A 8 15.458 -7.048 -12.794 1.00 62.24 O ATOM 91 CB ILE A 8 17.179 -4.386 -11.871 1.00 31.23 C ATOM 92 CG1 ILE A 8 17.057 -5.128 -10.538 1.00 13.21 C ATOM 93 CG2 ILE A 8 17.290 -2.886 -11.640 1.00 75.54 C ATOM 94 CD1 ILE A 8 18.376 -5.297 -9.817 1.00 51.32 C ATOM 0 H ILE A 8 14.507 -5.244 -11.372 1.00 23.32 H new ATOM 0 HA ILE A 8 15.963 -4.008 -13.612 1.00 12.40 H new ATOM 0 HB ILE A 8 18.086 -4.724 -12.373 1.00 31.23 H new ATOM 0 HG12 ILE A 8 16.366 -4.586 -9.892 1.00 13.21 H new ATOM 0 HG13 ILE A 8 16.622 -6.111 -10.717 1.00 13.21 H new ATOM 0 HG21 ILE A 8 18.149 -2.679 -11.001 1.00 75.54 H new ATOM 0 HG22 ILE A 8 17.418 -2.379 -12.596 1.00 75.54 H new ATOM 0 HG23 ILE A 8 16.383 -2.524 -11.157 1.00 75.54 H new ATOM 0 HD11 ILE A 8 18.213 -5.831 -8.881 1.00 51.32 H new ATOM 0 HD12 ILE A 8 19.063 -5.865 -10.444 1.00 51.32 H new ATOM 0 HD13 ILE A 8 18.803 -4.317 -9.606 1.00 51.32 H new ATOM 106 N SER A 9 16.943 -6.303 -14.312 1.00 61.43 N ATOM 107 CA SER A 9 17.158 -7.617 -14.908 1.00 45.32 C ATOM 108 C SER A 9 18.647 -7.888 -15.102 1.00 43.31 C ATOM 109 O SER A 9 19.362 -7.090 -15.709 1.00 54.50 O ATOM 110 CB SER A 9 16.431 -7.717 -16.250 1.00 43.45 C ATOM 111 OG SER A 9 17.257 -7.270 -17.312 1.00 53.12 O ATOM 0 H SER A 9 17.486 -5.552 -14.738 1.00 61.43 H new ATOM 0 HA SER A 9 16.755 -8.368 -14.228 1.00 45.32 H new ATOM 0 HB2 SER A 9 16.131 -8.750 -16.428 1.00 43.45 H new ATOM 0 HB3 SER A 9 15.519 -7.121 -16.219 1.00 43.45 H new ATOM 0 HG SER A 9 18.011 -6.761 -16.948 1.00 53.12 H new ATOM 117 N VAL A 10 19.109 -9.020 -14.582 1.00 30.45 N ATOM 118 CA VAL A 10 20.512 -9.399 -14.697 1.00 42.14 C ATOM 119 C VAL A 10 20.676 -10.915 -14.684 1.00 15.44 C ATOM 120 O VAL A 10 19.881 -11.629 -14.072 1.00 25.24 O ATOM 121 CB VAL A 10 21.353 -8.793 -13.558 1.00 50.42 C ATOM 122 CG1 VAL A 10 20.931 -9.372 -12.216 1.00 41.34 C ATOM 123 CG2 VAL A 10 22.835 -9.027 -13.807 1.00 62.53 C ATOM 0 H VAL A 10 18.531 -9.692 -14.076 1.00 30.45 H new ATOM 0 HA VAL A 10 20.868 -9.007 -15.650 1.00 42.14 H new ATOM 0 HB VAL A 10 21.178 -7.717 -13.533 1.00 50.42 H new ATOM 0 HG11 VAL A 10 21.536 -8.932 -11.423 1.00 41.34 H new ATOM 0 HG12 VAL A 10 19.880 -9.147 -12.037 1.00 41.34 H new ATOM 0 HG13 VAL A 10 21.074 -10.452 -12.225 1.00 41.34 H new ATOM 0 HG21 VAL A 10 23.414 -8.592 -12.992 1.00 62.53 H new ATOM 0 HG22 VAL A 10 23.030 -10.098 -13.860 1.00 62.53 H new ATOM 0 HG23 VAL A 10 23.124 -8.559 -14.748 1.00 62.53 H new ATOM 133 N ASP A 11 21.710 -11.399 -15.362 1.00 2.34 N ATOM 134 CA ASP A 11 21.980 -12.830 -15.426 1.00 75.44 C ATOM 135 C ASP A 11 23.148 -13.205 -14.520 1.00 70.20 C ATOM 136 O ASP A 11 23.757 -12.343 -13.887 1.00 0.42 O ATOM 137 CB ASP A 11 22.280 -13.250 -16.866 1.00 52.12 C ATOM 138 CG ASP A 11 21.430 -12.503 -17.876 1.00 23.31 C ATOM 139 OD1 ASP A 11 21.723 -11.317 -18.136 1.00 74.11 O ATOM 140 OD2 ASP A 11 20.474 -13.105 -18.406 1.00 72.45 O ATOM 0 H ASP A 11 22.375 -10.821 -15.875 1.00 2.34 H new ATOM 0 HA ASP A 11 21.092 -13.358 -15.079 1.00 75.44 H new ATOM 0 HB2 ASP A 11 23.334 -13.073 -17.081 1.00 52.12 H new ATOM 0 HB3 ASP A 11 22.108 -14.321 -16.972 1.00 52.12 H new ATOM 145 N TYR A 12 23.454 -14.496 -14.462 1.00 65.31 N ATOM 146 CA TYR A 12 24.548 -14.986 -13.631 1.00 15.15 C ATOM 147 C TYR A 12 24.778 -16.477 -13.856 1.00 41.02 C ATOM 148 O TYR A 12 23.915 -17.176 -14.387 1.00 4.31 O ATOM 149 CB TYR A 12 24.250 -14.722 -12.153 1.00 70.35 C ATOM 150 CG TYR A 12 23.144 -15.588 -11.595 1.00 34.23 C ATOM 151 CD1 TYR A 12 21.819 -15.171 -11.640 1.00 32.33 C ATOM 152 CD2 TYR A 12 23.423 -16.822 -11.021 1.00 73.31 C ATOM 153 CE1 TYR A 12 20.804 -15.959 -11.130 1.00 5.41 C ATOM 154 CE2 TYR A 12 22.415 -17.617 -10.510 1.00 52.12 C ATOM 155 CZ TYR A 12 21.107 -17.181 -10.567 1.00 5.33 C ATOM 156 OH TYR A 12 20.101 -17.969 -10.058 1.00 13.45 O ATOM 0 H TYR A 12 22.960 -15.222 -14.980 1.00 65.31 H new ATOM 0 HA TYR A 12 25.454 -14.451 -13.914 1.00 15.15 H new ATOM 0 HB2 TYR A 12 25.158 -14.888 -11.573 1.00 70.35 H new ATOM 0 HB3 TYR A 12 23.978 -13.674 -12.027 1.00 70.35 H new ATOM 0 HD1 TYR A 12 21.578 -14.215 -12.081 1.00 32.33 H new ATOM 0 HD2 TYR A 12 24.446 -17.166 -10.973 1.00 73.31 H new ATOM 0 HE1 TYR A 12 19.780 -15.620 -11.172 1.00 5.41 H new ATOM 0 HE2 TYR A 12 22.650 -18.574 -10.068 1.00 52.12 H new ATOM 0 HH TYR A 12 20.484 -18.797 -9.699 1.00 13.45 H new ATOM 166 N GLU A 13 25.949 -16.957 -13.448 1.00 51.50 N ATOM 167 CA GLU A 13 26.294 -18.365 -13.606 1.00 13.44 C ATOM 168 C GLU A 13 27.124 -18.857 -12.424 1.00 33.05 C ATOM 169 O GLU A 13 27.661 -18.060 -11.654 1.00 50.11 O ATOM 170 CB GLU A 13 27.065 -18.581 -14.910 1.00 13.15 C ATOM 171 CG GLU A 13 28.393 -17.845 -14.960 1.00 62.34 C ATOM 172 CD GLU A 13 28.273 -16.467 -15.580 1.00 42.43 C ATOM 173 OE1 GLU A 13 27.504 -16.318 -16.553 1.00 3.42 O ATOM 174 OE2 GLU A 13 28.949 -15.536 -15.092 1.00 72.50 O ATOM 0 H GLU A 13 26.674 -16.392 -13.006 1.00 51.50 H new ATOM 0 HA GLU A 13 25.368 -18.938 -13.641 1.00 13.44 H new ATOM 0 HB2 GLU A 13 27.245 -19.648 -15.044 1.00 13.15 H new ATOM 0 HB3 GLU A 13 26.447 -18.255 -15.746 1.00 13.15 H new ATOM 0 HG2 GLU A 13 28.790 -17.751 -13.949 1.00 62.34 H new ATOM 0 HG3 GLU A 13 29.110 -18.435 -15.531 1.00 62.34 H new ATOM 181 N ILE A 14 27.223 -20.175 -12.286 1.00 52.11 N ATOM 182 CA ILE A 14 27.987 -20.774 -11.199 1.00 0.31 C ATOM 183 C ILE A 14 28.856 -21.920 -11.704 1.00 71.43 C ATOM 184 O ILE A 14 28.510 -22.595 -12.674 1.00 73.22 O ATOM 185 CB ILE A 14 27.063 -21.298 -10.083 1.00 44.54 C ATOM 186 CG1 ILE A 14 26.039 -20.229 -9.696 1.00 21.13 C ATOM 187 CG2 ILE A 14 27.882 -21.718 -8.872 1.00 60.51 C ATOM 188 CD1 ILE A 14 26.659 -18.987 -9.095 1.00 44.13 C ATOM 0 H ILE A 14 26.784 -20.848 -12.914 1.00 52.11 H new ATOM 0 HA ILE A 14 28.625 -19.989 -10.792 1.00 0.31 H new ATOM 0 HB ILE A 14 26.526 -22.171 -10.455 1.00 44.54 H new ATOM 0 HG12 ILE A 14 25.467 -19.948 -10.581 1.00 21.13 H new ATOM 0 HG13 ILE A 14 25.334 -20.655 -8.982 1.00 21.13 H new ATOM 0 HG21 ILE A 14 27.216 -22.086 -8.092 1.00 60.51 H new ATOM 0 HG22 ILE A 14 28.576 -22.508 -9.158 1.00 60.51 H new ATOM 0 HG23 ILE A 14 28.442 -20.861 -8.497 1.00 60.51 H new ATOM 0 HD11 ILE A 14 25.874 -18.273 -8.845 1.00 44.13 H new ATOM 0 HD12 ILE A 14 27.207 -19.255 -8.192 1.00 44.13 H new ATOM 0 HD13 ILE A 14 27.343 -18.537 -9.815 1.00 44.13 H new ATOM 200 N PHE A 15 29.986 -22.137 -11.039 1.00 51.13 N ATOM 201 CA PHE A 15 30.905 -23.203 -11.420 1.00 70.02 C ATOM 202 C PHE A 15 31.255 -24.075 -10.218 1.00 3.44 C ATOM 203 O PHE A 15 31.133 -23.647 -9.071 1.00 5.14 O ATOM 204 CB PHE A 15 32.180 -22.614 -12.026 1.00 4.40 C ATOM 205 CG PHE A 15 33.085 -23.645 -12.638 1.00 4.52 C ATOM 206 CD1 PHE A 15 32.655 -24.419 -13.703 1.00 53.21 C ATOM 207 CD2 PHE A 15 34.367 -23.839 -12.148 1.00 52.10 C ATOM 208 CE1 PHE A 15 33.485 -25.369 -14.267 1.00 42.43 C ATOM 209 CE2 PHE A 15 35.202 -24.787 -12.708 1.00 60.05 C ATOM 210 CZ PHE A 15 34.761 -25.552 -13.770 1.00 72.12 C ATOM 0 H PHE A 15 30.287 -21.589 -10.233 1.00 51.13 H new ATOM 0 HA PHE A 15 30.411 -23.825 -12.166 1.00 70.02 H new ATOM 0 HB2 PHE A 15 31.907 -21.884 -12.788 1.00 4.40 H new ATOM 0 HB3 PHE A 15 32.726 -22.077 -11.251 1.00 4.40 H new ATOM 0 HD1 PHE A 15 31.659 -24.278 -14.097 1.00 53.21 H new ATOM 0 HD2 PHE A 15 34.717 -23.242 -11.319 1.00 52.10 H new ATOM 0 HE1 PHE A 15 33.137 -25.968 -15.095 1.00 42.43 H new ATOM 0 HE2 PHE A 15 36.198 -24.930 -12.316 1.00 60.05 H new ATOM 0 HZ PHE A 15 35.412 -26.292 -14.211 1.00 72.12 H new ATOM 220 N GLY A 16 31.691 -25.301 -10.490 1.00 30.02 N ATOM 221 CA GLY A 16 32.052 -26.214 -9.421 1.00 74.32 C ATOM 222 C GLY A 16 31.110 -27.399 -9.328 1.00 42.34 C ATOM 223 O GLY A 16 30.715 -27.969 -10.345 1.00 53.35 O ATOM 0 H GLY A 16 31.801 -25.678 -11.431 1.00 30.02 H new ATOM 0 HA2 GLY A 16 33.068 -26.573 -9.582 1.00 74.32 H new ATOM 0 HA3 GLY A 16 32.050 -25.677 -8.472 1.00 74.32 H new ATOM 227 N LYS A 17 30.751 -27.772 -8.105 1.00 32.31 N ATOM 228 CA LYS A 17 29.850 -28.897 -7.881 1.00 63.04 C ATOM 229 C LYS A 17 28.528 -28.688 -8.612 1.00 34.51 C ATOM 230 O LYS A 17 27.824 -29.648 -8.929 1.00 43.34 O ATOM 231 CB LYS A 17 29.595 -29.082 -6.384 1.00 75.40 C ATOM 232 CG LYS A 17 28.497 -30.085 -6.074 1.00 71.51 C ATOM 233 CD LYS A 17 28.786 -31.440 -6.700 1.00 1.41 C ATOM 234 CE LYS A 17 30.057 -32.055 -6.135 1.00 1.23 C ATOM 235 NZ LYS A 17 30.024 -32.129 -4.648 1.00 32.12 N ATOM 0 H LYS A 17 31.070 -27.312 -7.253 1.00 32.31 H new ATOM 0 HA LYS A 17 30.325 -29.796 -8.275 1.00 63.04 H new ATOM 0 HB2 LYS A 17 30.518 -29.407 -5.904 1.00 75.40 H new ATOM 0 HB3 LYS A 17 29.330 -28.119 -5.947 1.00 75.40 H new ATOM 0 HG2 LYS A 17 28.398 -30.196 -4.994 1.00 71.51 H new ATOM 0 HG3 LYS A 17 27.544 -29.708 -6.444 1.00 71.51 H new ATOM 0 HD2 LYS A 17 27.946 -32.111 -6.522 1.00 1.41 H new ATOM 0 HD3 LYS A 17 28.883 -31.330 -7.780 1.00 1.41 H new ATOM 0 HE2 LYS A 17 30.190 -33.056 -6.546 1.00 1.23 H new ATOM 0 HE3 LYS A 17 30.917 -31.465 -6.450 1.00 1.23 H new ATOM 0 HZ1 LYS A 17 30.772 -32.770 -4.316 1.00 32.12 H new ATOM 0 HZ2 LYS A 17 30.179 -31.181 -4.250 1.00 32.12 H new ATOM 0 HZ3 LYS A 17 29.098 -32.488 -4.339 1.00 32.12 H new ATOM 249 N VAL A 18 28.195 -27.429 -8.877 1.00 22.00 N ATOM 250 CA VAL A 18 26.958 -27.095 -9.573 1.00 2.04 C ATOM 251 C VAL A 18 26.836 -27.870 -10.880 1.00 45.50 C ATOM 252 O VAL A 18 25.732 -28.155 -11.343 1.00 24.15 O ATOM 253 CB VAL A 18 26.872 -25.587 -9.872 1.00 45.43 C ATOM 254 CG1 VAL A 18 26.993 -24.779 -8.589 1.00 30.32 C ATOM 255 CG2 VAL A 18 27.946 -25.180 -10.870 1.00 64.43 C ATOM 0 H VAL A 18 28.765 -26.623 -8.620 1.00 22.00 H new ATOM 0 HA VAL A 18 26.138 -27.374 -8.912 1.00 2.04 H new ATOM 0 HB VAL A 18 25.898 -25.378 -10.314 1.00 45.43 H new ATOM 0 HG11 VAL A 18 26.930 -23.716 -8.821 1.00 30.32 H new ATOM 0 HG12 VAL A 18 26.185 -25.051 -7.910 1.00 30.32 H new ATOM 0 HG13 VAL A 18 27.951 -24.991 -8.115 1.00 30.32 H new ATOM 0 HG21 VAL A 18 27.871 -24.111 -11.070 1.00 64.43 H new ATOM 0 HG22 VAL A 18 28.930 -25.403 -10.457 1.00 64.43 H new ATOM 0 HG23 VAL A 18 27.808 -25.733 -11.799 1.00 64.43 H new ATOM 265 N GLN A 19 27.979 -28.207 -11.470 1.00 53.32 N ATOM 266 CA GLN A 19 28.000 -28.949 -12.725 1.00 55.43 C ATOM 267 C GLN A 19 27.473 -30.366 -12.528 1.00 73.34 C ATOM 268 O GLN A 19 26.838 -30.933 -13.418 1.00 4.45 O ATOM 269 CB GLN A 19 29.420 -28.994 -13.292 1.00 54.40 C ATOM 270 CG GLN A 19 30.364 -29.880 -12.497 1.00 21.51 C ATOM 271 CD GLN A 19 31.803 -29.408 -12.564 1.00 21.14 C ATOM 272 OE1 GLN A 19 32.091 -28.327 -13.079 1.00 74.42 O ATOM 273 NE2 GLN A 19 32.717 -30.217 -12.041 1.00 30.40 N ATOM 0 H GLN A 19 28.901 -27.978 -11.099 1.00 53.32 H new ATOM 0 HA GLN A 19 27.350 -28.435 -13.433 1.00 55.43 H new ATOM 0 HB2 GLN A 19 29.380 -29.351 -14.321 1.00 54.40 H new ATOM 0 HB3 GLN A 19 29.823 -27.982 -13.321 1.00 54.40 H new ATOM 0 HG2 GLN A 19 30.042 -29.905 -11.456 1.00 21.51 H new ATOM 0 HG3 GLN A 19 30.303 -30.901 -12.875 1.00 21.51 H new ATOM 0 HE21 GLN A 19 32.434 -31.104 -11.624 1.00 30.40 H new ATOM 0 HE22 GLN A 19 33.702 -29.951 -12.056 1.00 30.40 H new ATOM 282 N GLY A 20 27.741 -30.935 -11.357 1.00 14.34 N ATOM 283 CA GLY A 20 27.287 -32.282 -11.065 1.00 12.14 C ATOM 284 C GLY A 20 26.266 -32.320 -9.945 1.00 54.30 C ATOM 285 O GLY A 20 26.512 -32.903 -8.889 1.00 60.35 O ATOM 0 H GLY A 20 28.265 -30.487 -10.605 1.00 14.34 H new ATOM 0 HA2 GLY A 20 26.852 -32.718 -11.964 1.00 12.14 H new ATOM 0 HA3 GLY A 20 28.143 -32.900 -10.793 1.00 12.14 H new ATOM 289 N VAL A 21 25.115 -31.694 -10.174 1.00 22.11 N ATOM 290 CA VAL A 21 24.053 -31.658 -9.176 1.00 11.00 C ATOM 291 C VAL A 21 22.780 -31.047 -9.750 1.00 52.05 C ATOM 292 O VAL A 21 22.831 -30.229 -10.670 1.00 34.44 O ATOM 293 CB VAL A 21 24.478 -30.855 -7.932 1.00 64.41 C ATOM 294 CG1 VAL A 21 24.634 -29.382 -8.275 1.00 11.43 C ATOM 295 CG2 VAL A 21 23.474 -31.046 -6.806 1.00 74.40 C ATOM 0 H VAL A 21 24.895 -31.205 -11.042 1.00 22.11 H new ATOM 0 HA VAL A 21 23.858 -32.690 -8.884 1.00 11.00 H new ATOM 0 HB VAL A 21 25.444 -31.228 -7.593 1.00 64.41 H new ATOM 0 HG11 VAL A 21 24.935 -28.831 -7.384 1.00 11.43 H new ATOM 0 HG12 VAL A 21 25.395 -29.267 -9.047 1.00 11.43 H new ATOM 0 HG13 VAL A 21 23.684 -28.991 -8.640 1.00 11.43 H new ATOM 0 HG21 VAL A 21 23.790 -30.472 -5.935 1.00 74.40 H new ATOM 0 HG22 VAL A 21 22.492 -30.701 -7.131 1.00 74.40 H new ATOM 0 HG23 VAL A 21 23.419 -32.102 -6.543 1.00 74.40 H new ATOM 305 N PHE A 22 21.638 -31.449 -9.202 1.00 53.34 N ATOM 306 CA PHE A 22 20.350 -30.941 -9.661 1.00 33.14 C ATOM 307 C PHE A 22 19.834 -29.847 -8.730 1.00 42.02 C ATOM 308 O PHE A 22 18.630 -29.727 -8.502 1.00 43.53 O ATOM 309 CB PHE A 22 19.330 -32.078 -9.743 1.00 74.43 C ATOM 310 CG PHE A 22 19.247 -32.902 -8.490 1.00 22.10 C ATOM 311 CD1 PHE A 22 18.398 -32.535 -7.458 1.00 43.13 C ATOM 312 CD2 PHE A 22 20.019 -34.043 -8.343 1.00 62.43 C ATOM 313 CE1 PHE A 22 18.320 -33.291 -6.304 1.00 12.12 C ATOM 314 CE2 PHE A 22 19.945 -34.803 -7.191 1.00 74.44 C ATOM 315 CZ PHE A 22 19.095 -34.426 -6.170 1.00 31.11 C ATOM 0 H PHE A 22 21.578 -32.125 -8.440 1.00 53.34 H new ATOM 0 HA PHE A 22 20.489 -30.514 -10.654 1.00 33.14 H new ATOM 0 HB2 PHE A 22 18.347 -31.659 -9.958 1.00 74.43 H new ATOM 0 HB3 PHE A 22 19.589 -32.728 -10.579 1.00 74.43 H new ATOM 0 HD1 PHE A 22 17.790 -31.648 -7.557 1.00 43.13 H new ATOM 0 HD2 PHE A 22 20.686 -34.342 -9.138 1.00 62.43 H new ATOM 0 HE1 PHE A 22 17.654 -32.994 -5.508 1.00 12.12 H new ATOM 0 HE2 PHE A 22 20.551 -35.691 -7.089 1.00 74.44 H new ATOM 0 HZ PHE A 22 19.036 -35.018 -5.268 1.00 31.11 H new ATOM 325 N PHE A 23 20.755 -29.052 -8.195 1.00 15.23 N ATOM 326 CA PHE A 23 20.395 -27.968 -7.288 1.00 35.34 C ATOM 327 C PHE A 23 19.316 -27.081 -7.902 1.00 1.53 C ATOM 328 O PHE A 23 18.501 -26.493 -7.190 1.00 61.20 O ATOM 329 CB PHE A 23 21.628 -27.130 -6.946 1.00 51.30 C ATOM 330 CG PHE A 23 22.075 -26.237 -8.068 1.00 0.41 C ATOM 331 CD1 PHE A 23 22.663 -26.770 -9.204 1.00 35.14 C ATOM 332 CD2 PHE A 23 21.908 -24.864 -7.986 1.00 43.53 C ATOM 333 CE1 PHE A 23 23.075 -25.951 -10.238 1.00 32.20 C ATOM 334 CE2 PHE A 23 22.318 -24.040 -9.018 1.00 1.34 C ATOM 335 CZ PHE A 23 22.903 -24.584 -10.144 1.00 62.02 C ATOM 0 H PHE A 23 21.756 -29.138 -8.374 1.00 15.23 H new ATOM 0 HA PHE A 23 20.000 -28.409 -6.373 1.00 35.34 H new ATOM 0 HB2 PHE A 23 21.411 -26.519 -6.070 1.00 51.30 H new ATOM 0 HB3 PHE A 23 22.447 -27.796 -6.674 1.00 51.30 H new ATOM 0 HD1 PHE A 23 22.801 -27.838 -9.282 1.00 35.14 H new ATOM 0 HD2 PHE A 23 21.453 -24.433 -7.107 1.00 43.53 H new ATOM 0 HE1 PHE A 23 23.531 -26.379 -11.118 1.00 32.20 H new ATOM 0 HE2 PHE A 23 22.181 -22.971 -8.943 1.00 1.34 H new ATOM 0 HZ PHE A 23 23.226 -23.942 -10.950 1.00 62.02 H new ATOM 345 N ARG A 24 19.319 -26.988 -9.227 1.00 53.35 N ATOM 346 CA ARG A 24 18.343 -26.171 -9.938 1.00 55.40 C ATOM 347 C ARG A 24 16.922 -26.517 -9.500 1.00 43.33 C ATOM 348 O ARG A 24 16.076 -25.636 -9.348 1.00 13.21 O ATOM 349 CB ARG A 24 18.484 -26.367 -11.449 1.00 22.15 C ATOM 350 CG ARG A 24 18.433 -27.823 -11.881 1.00 24.43 C ATOM 351 CD ARG A 24 18.571 -27.962 -13.389 1.00 35.01 C ATOM 352 NE ARG A 24 19.008 -29.300 -13.778 1.00 33.00 N ATOM 353 CZ ARG A 24 20.275 -29.698 -13.746 1.00 13.44 C ATOM 354 NH1 ARG A 24 21.224 -28.864 -13.344 1.00 24.33 N ATOM 355 NH2 ARG A 24 20.594 -30.931 -14.115 1.00 71.43 N ATOM 0 H ARG A 24 19.986 -27.468 -9.830 1.00 53.35 H new ATOM 0 HA ARG A 24 18.536 -25.126 -9.695 1.00 55.40 H new ATOM 0 HB2 ARG A 24 17.689 -25.819 -11.954 1.00 22.15 H new ATOM 0 HB3 ARG A 24 19.428 -25.932 -11.777 1.00 22.15 H new ATOM 0 HG2 ARG A 24 19.232 -28.378 -11.389 1.00 24.43 H new ATOM 0 HG3 ARG A 24 17.491 -28.267 -11.558 1.00 24.43 H new ATOM 0 HD2 ARG A 24 17.614 -27.741 -13.862 1.00 35.01 H new ATOM 0 HD3 ARG A 24 19.286 -27.226 -13.757 1.00 35.01 H new ATOM 0 HE ARG A 24 18.302 -29.966 -14.092 1.00 33.00 H new ATOM 0 HH11 ARG A 24 20.982 -27.915 -13.059 1.00 24.33 H new ATOM 0 HH12 ARG A 24 22.196 -29.171 -13.320 1.00 24.33 H new ATOM 0 HH21 ARG A 24 19.866 -31.575 -14.424 1.00 71.43 H new ATOM 0 HH22 ARG A 24 21.567 -31.235 -14.090 1.00 71.43 H new ATOM 369 N LYS A 25 16.668 -27.805 -9.300 1.00 70.42 N ATOM 370 CA LYS A 25 15.351 -28.270 -8.879 1.00 43.54 C ATOM 371 C LYS A 25 14.887 -27.529 -7.629 1.00 43.02 C ATOM 372 O LYS A 25 13.688 -27.355 -7.407 1.00 65.44 O ATOM 373 CB LYS A 25 15.381 -29.776 -8.611 1.00 55.14 C ATOM 374 CG LYS A 25 14.001 -30.394 -8.464 1.00 61.44 C ATOM 375 CD LYS A 25 14.086 -31.853 -8.047 1.00 34.00 C ATOM 376 CE LYS A 25 14.385 -31.991 -6.562 1.00 72.41 C ATOM 377 NZ LYS A 25 14.080 -33.360 -6.060 1.00 13.30 N ATOM 0 H LYS A 25 17.357 -28.547 -9.423 1.00 70.42 H new ATOM 0 HA LYS A 25 14.646 -28.065 -9.684 1.00 43.54 H new ATOM 0 HB2 LYS A 25 15.907 -30.272 -9.427 1.00 55.14 H new ATOM 0 HB3 LYS A 25 15.953 -29.964 -7.702 1.00 55.14 H new ATOM 0 HG2 LYS A 25 13.428 -29.836 -7.724 1.00 61.44 H new ATOM 0 HG3 LYS A 25 13.463 -30.315 -9.409 1.00 61.44 H new ATOM 0 HD2 LYS A 25 13.146 -32.354 -8.278 1.00 34.00 H new ATOM 0 HD3 LYS A 25 14.864 -32.353 -8.624 1.00 34.00 H new ATOM 0 HE2 LYS A 25 15.435 -31.763 -6.380 1.00 72.41 H new ATOM 0 HE3 LYS A 25 13.799 -31.261 -6.004 1.00 72.41 H new ATOM 0 HZ1 LYS A 25 14.297 -33.414 -5.044 1.00 13.30 H new ATOM 0 HZ2 LYS A 25 13.072 -33.568 -6.210 1.00 13.30 H new ATOM 0 HZ3 LYS A 25 14.658 -34.055 -6.575 1.00 13.30 H new ATOM 391 N HIS A 26 15.844 -27.093 -6.816 1.00 30.13 N ATOM 392 CA HIS A 26 15.533 -26.369 -5.588 1.00 53.14 C ATOM 393 C HIS A 26 15.604 -24.862 -5.814 1.00 2.40 C ATOM 394 O HIS A 26 14.947 -24.087 -5.118 1.00 53.34 O ATOM 395 CB HIS A 26 16.496 -26.776 -4.473 1.00 11.31 C ATOM 396 CG HIS A 26 15.972 -27.874 -3.600 1.00 70.21 C ATOM 397 ND1 HIS A 26 16.219 -29.209 -3.841 1.00 31.32 N ATOM 398 CD2 HIS A 26 15.212 -27.830 -2.481 1.00 53.42 C ATOM 399 CE1 HIS A 26 15.632 -29.938 -2.909 1.00 34.42 C ATOM 400 NE2 HIS A 26 15.014 -29.125 -2.071 1.00 70.12 N ATOM 0 H HIS A 26 16.841 -27.228 -6.985 1.00 30.13 H new ATOM 0 HA HIS A 26 14.516 -26.627 -5.291 1.00 53.14 H new ATOM 0 HB2 HIS A 26 17.439 -27.095 -4.917 1.00 11.31 H new ATOM 0 HB3 HIS A 26 16.713 -25.904 -3.856 1.00 11.31 H new ATOM 0 HD2 HIS A 26 14.832 -26.941 -2.000 1.00 53.42 H new ATOM 0 HE1 HIS A 26 15.654 -31.016 -2.843 1.00 34.42 H new ATOM 0 HE2 HIS A 26 14.477 -29.413 -1.253 1.00 70.12 H new ATOM 408 N THR A 27 16.408 -24.452 -6.791 1.00 13.44 N ATOM 409 CA THR A 27 16.567 -23.038 -7.107 1.00 12.25 C ATOM 410 C THR A 27 15.227 -22.397 -7.451 1.00 62.35 C ATOM 411 O THR A 27 14.926 -21.290 -7.006 1.00 61.24 O ATOM 412 CB THR A 27 17.540 -22.831 -8.283 1.00 12.04 C ATOM 413 OG1 THR A 27 18.830 -23.357 -7.950 1.00 15.43 O ATOM 414 CG2 THR A 27 17.662 -21.355 -8.630 1.00 65.14 C ATOM 0 H THR A 27 16.959 -25.080 -7.377 1.00 13.44 H new ATOM 0 HA THR A 27 16.977 -22.560 -6.218 1.00 12.25 H new ATOM 0 HB THR A 27 17.146 -23.360 -9.150 1.00 12.04 H new ATOM 0 HG1 THR A 27 18.746 -24.305 -7.716 1.00 15.43 H new ATOM 0 HG21 THR A 27 18.354 -21.233 -9.463 1.00 65.14 H new ATOM 0 HG22 THR A 27 16.684 -20.965 -8.911 1.00 65.14 H new ATOM 0 HG23 THR A 27 18.036 -20.807 -7.765 1.00 65.14 H new ATOM 422 N GLN A 28 14.427 -23.101 -8.246 1.00 62.00 N ATOM 423 CA GLN A 28 13.119 -22.600 -8.650 1.00 41.50 C ATOM 424 C GLN A 28 12.211 -22.411 -7.440 1.00 33.25 C ATOM 425 O GLN A 28 11.343 -21.539 -7.432 1.00 50.43 O ATOM 426 CB GLN A 28 12.467 -23.559 -9.647 1.00 63.03 C ATOM 427 CG GLN A 28 11.088 -23.115 -10.106 1.00 52.01 C ATOM 428 CD GLN A 28 10.317 -24.224 -10.795 1.00 50.31 C ATOM 429 OE1 GLN A 28 10.894 -25.226 -11.219 1.00 53.31 O ATOM 430 NE2 GLN A 28 9.006 -24.050 -10.911 1.00 34.15 N ATOM 0 H GLN A 28 14.662 -24.019 -8.623 1.00 62.00 H new ATOM 0 HA GLN A 28 13.262 -21.631 -9.129 1.00 41.50 H new ATOM 0 HB2 GLN A 28 13.115 -23.661 -10.517 1.00 63.03 H new ATOM 0 HB3 GLN A 28 12.389 -24.546 -9.191 1.00 63.03 H new ATOM 0 HG2 GLN A 28 10.519 -22.762 -9.246 1.00 52.01 H new ATOM 0 HG3 GLN A 28 11.191 -22.271 -10.788 1.00 52.01 H new ATOM 0 HE21 GLN A 28 8.569 -23.204 -10.545 1.00 34.15 H new ATOM 0 HE22 GLN A 28 8.435 -24.762 -11.366 1.00 34.15 H new ATOM 439 N ALA A 29 12.416 -23.236 -6.418 1.00 2.33 N ATOM 440 CA ALA A 29 11.617 -23.159 -5.201 1.00 51.32 C ATOM 441 C ALA A 29 12.028 -21.963 -4.349 1.00 51.21 C ATOM 442 O ALA A 29 11.181 -21.271 -3.786 1.00 54.51 O ATOM 443 CB ALA A 29 11.746 -24.447 -4.403 1.00 33.44 C ATOM 0 H ALA A 29 13.129 -23.965 -6.409 1.00 2.33 H new ATOM 0 HA ALA A 29 10.574 -23.026 -5.488 1.00 51.32 H new ATOM 0 HB1 ALA A 29 11.144 -24.375 -3.497 1.00 33.44 H new ATOM 0 HB2 ALA A 29 11.396 -25.285 -5.006 1.00 33.44 H new ATOM 0 HB3 ALA A 29 12.790 -24.605 -4.133 1.00 33.44 H new ATOM 449 N GLU A 30 13.333 -21.727 -4.259 1.00 0.23 N ATOM 450 CA GLU A 30 13.855 -20.615 -3.473 1.00 51.32 C ATOM 451 C GLU A 30 13.241 -19.293 -3.926 1.00 71.22 C ATOM 452 O GLU A 30 13.159 -18.338 -3.156 1.00 2.44 O ATOM 453 CB GLU A 30 15.379 -20.549 -3.592 1.00 0.44 C ATOM 454 CG GLU A 30 16.109 -21.157 -2.406 1.00 14.13 C ATOM 455 CD GLU A 30 17.519 -21.593 -2.750 1.00 64.31 C ATOM 456 OE1 GLU A 30 17.826 -21.716 -3.954 1.00 72.23 O ATOM 457 OE2 GLU A 30 18.317 -21.812 -1.814 1.00 42.33 O ATOM 0 H GLU A 30 14.048 -22.290 -4.720 1.00 0.23 H new ATOM 0 HA GLU A 30 13.586 -20.783 -2.430 1.00 51.32 H new ATOM 0 HB2 GLU A 30 15.687 -21.066 -4.501 1.00 0.44 H new ATOM 0 HB3 GLU A 30 15.682 -19.507 -3.699 1.00 0.44 H new ATOM 0 HG2 GLU A 30 16.145 -20.430 -1.595 1.00 14.13 H new ATOM 0 HG3 GLU A 30 15.547 -22.016 -2.039 1.00 14.13 H new ATOM 464 N GLY A 31 12.810 -19.247 -5.183 1.00 65.35 N ATOM 465 CA GLY A 31 12.210 -18.039 -5.718 1.00 61.34 C ATOM 466 C GLY A 31 10.987 -17.604 -4.936 1.00 71.21 C ATOM 467 O GLY A 31 10.834 -16.426 -4.612 1.00 71.22 O ATOM 0 H GLY A 31 12.866 -20.025 -5.840 1.00 65.35 H new ATOM 0 HA2 GLY A 31 12.947 -17.236 -5.710 1.00 61.34 H new ATOM 0 HA3 GLY A 31 11.932 -18.205 -6.759 1.00 61.34 H new ATOM 471 N LYS A 32 10.111 -18.556 -4.632 1.00 64.42 N ATOM 472 CA LYS A 32 8.894 -18.267 -3.883 1.00 44.33 C ATOM 473 C LYS A 32 9.216 -17.537 -2.583 1.00 42.43 C ATOM 474 O LYS A 32 8.402 -16.766 -2.074 1.00 22.13 O ATOM 475 CB LYS A 32 8.138 -19.562 -3.579 1.00 54.34 C ATOM 476 CG LYS A 32 8.736 -20.362 -2.436 1.00 2.14 C ATOM 477 CD LYS A 32 8.577 -21.857 -2.657 1.00 52.34 C ATOM 478 CE LYS A 32 7.111 -22.262 -2.692 1.00 1.24 C ATOM 479 NZ LYS A 32 6.922 -23.693 -2.324 1.00 44.43 N ATOM 0 H LYS A 32 10.222 -19.536 -4.893 1.00 64.42 H new ATOM 0 HA LYS A 32 8.265 -17.621 -4.496 1.00 44.33 H new ATOM 0 HB2 LYS A 32 7.102 -19.320 -3.339 1.00 54.34 H new ATOM 0 HB3 LYS A 32 8.121 -20.182 -4.475 1.00 54.34 H new ATOM 0 HG2 LYS A 32 9.794 -20.119 -2.335 1.00 2.14 H new ATOM 0 HG3 LYS A 32 8.253 -20.078 -1.501 1.00 2.14 H new ATOM 0 HD2 LYS A 32 9.056 -22.140 -3.594 1.00 52.34 H new ATOM 0 HD3 LYS A 32 9.087 -22.400 -1.861 1.00 52.34 H new ATOM 0 HE2 LYS A 32 6.544 -21.633 -2.006 1.00 1.24 H new ATOM 0 HE3 LYS A 32 6.710 -22.088 -3.690 1.00 1.24 H new ATOM 0 HZ1 LYS A 32 5.910 -23.930 -2.360 1.00 44.43 H new ATOM 0 HZ2 LYS A 32 7.442 -24.295 -2.993 1.00 44.43 H new ATOM 0 HZ3 LYS A 32 7.282 -23.854 -1.362 1.00 44.43 H new ATOM 493 N LYS A 33 10.409 -17.783 -2.052 1.00 12.44 N ATOM 494 CA LYS A 33 10.840 -17.147 -0.812 1.00 44.14 C ATOM 495 C LYS A 33 10.702 -15.630 -0.902 1.00 35.53 C ATOM 496 O LYS A 33 9.869 -15.032 -0.219 1.00 50.23 O ATOM 497 CB LYS A 33 12.292 -17.519 -0.503 1.00 21.33 C ATOM 498 CG LYS A 33 12.668 -17.340 0.958 1.00 53.30 C ATOM 499 CD LYS A 33 13.841 -18.224 1.345 1.00 62.22 C ATOM 500 CE LYS A 33 13.379 -19.609 1.770 1.00 74.53 C ATOM 501 NZ LYS A 33 13.186 -20.512 0.601 1.00 33.43 N ATOM 0 H LYS A 33 11.095 -18.418 -2.461 1.00 12.44 H new ATOM 0 HA LYS A 33 10.199 -17.506 -0.007 1.00 44.14 H new ATOM 0 HB2 LYS A 33 12.461 -18.557 -0.788 1.00 21.33 H new ATOM 0 HB3 LYS A 33 12.953 -16.908 -1.117 1.00 21.33 H new ATOM 0 HG2 LYS A 33 12.921 -16.296 1.144 1.00 53.30 H new ATOM 0 HG3 LYS A 33 11.810 -17.577 1.587 1.00 53.30 H new ATOM 0 HD2 LYS A 33 14.526 -18.311 0.502 1.00 62.22 H new ATOM 0 HD3 LYS A 33 14.396 -17.758 2.160 1.00 62.22 H new ATOM 0 HE2 LYS A 33 14.113 -20.045 2.448 1.00 74.53 H new ATOM 0 HE3 LYS A 33 12.444 -19.526 2.323 1.00 74.53 H new ATOM 0 HZ1 LYS A 33 13.391 -21.492 0.882 1.00 33.43 H new ATOM 0 HZ2 LYS A 33 12.203 -20.445 0.269 1.00 33.43 H new ATOM 0 HZ3 LYS A 33 13.830 -20.230 -0.165 1.00 33.43 H new ATOM 515 N LEU A 34 11.520 -15.015 -1.747 1.00 43.15 N ATOM 516 CA LEU A 34 11.488 -13.568 -1.927 1.00 54.44 C ATOM 517 C LEU A 34 10.283 -13.150 -2.764 1.00 15.10 C ATOM 518 O LEU A 34 9.719 -12.075 -2.565 1.00 54.33 O ATOM 519 CB LEU A 34 12.777 -13.088 -2.595 1.00 44.32 C ATOM 520 CG LEU A 34 13.972 -12.868 -1.667 1.00 24.01 C ATOM 521 CD1 LEU A 34 13.651 -11.808 -0.625 1.00 42.20 C ATOM 522 CD2 LEU A 34 14.373 -14.174 -0.996 1.00 4.42 C ATOM 0 H LEU A 34 12.214 -15.496 -2.319 1.00 43.15 H new ATOM 0 HA LEU A 34 11.402 -13.107 -0.943 1.00 54.44 H new ATOM 0 HB2 LEU A 34 13.062 -13.816 -3.355 1.00 44.32 H new ATOM 0 HB3 LEU A 34 12.567 -12.152 -3.113 1.00 44.32 H new ATOM 0 HG LEU A 34 14.813 -12.517 -2.265 1.00 24.01 H new ATOM 0 HD11 LEU A 34 14.513 -11.665 0.026 1.00 42.20 H new ATOM 0 HD12 LEU A 34 13.413 -10.868 -1.123 1.00 42.20 H new ATOM 0 HD13 LEU A 34 12.796 -12.130 -0.030 1.00 42.20 H new ATOM 0 HD21 LEU A 34 15.225 -13.999 -0.339 1.00 4.42 H new ATOM 0 HD22 LEU A 34 13.536 -14.554 -0.411 1.00 4.42 H new ATOM 0 HD23 LEU A 34 14.646 -14.905 -1.757 1.00 4.42 H new ATOM 534 N GLY A 35 9.891 -14.010 -3.700 1.00 4.31 N ATOM 535 CA GLY A 35 8.754 -13.713 -4.551 1.00 61.01 C ATOM 536 C GLY A 35 9.162 -13.062 -5.858 1.00 2.54 C ATOM 537 O GLY A 35 8.792 -11.919 -6.133 1.00 30.33 O ATOM 0 H GLY A 35 10.341 -14.907 -3.884 1.00 4.31 H new ATOM 0 HA2 GLY A 35 8.211 -14.635 -4.762 1.00 61.01 H new ATOM 0 HA3 GLY A 35 8.068 -13.054 -4.019 1.00 61.01 H new ATOM 541 N LEU A 36 9.928 -13.787 -6.665 1.00 22.14 N ATOM 542 CA LEU A 36 10.389 -13.272 -7.949 1.00 71.35 C ATOM 543 C LEU A 36 10.143 -14.286 -9.062 1.00 71.22 C ATOM 544 O LEU A 36 9.545 -15.339 -8.837 1.00 1.54 O ATOM 545 CB LEU A 36 11.877 -12.927 -7.879 1.00 4.13 C ATOM 546 CG LEU A 36 12.808 -14.056 -7.436 1.00 23.31 C ATOM 547 CD1 LEU A 36 13.186 -14.932 -8.621 1.00 4.24 C ATOM 548 CD2 LEU A 36 14.054 -13.491 -6.769 1.00 52.55 C ATOM 0 H LEU A 36 10.243 -14.734 -6.453 1.00 22.14 H new ATOM 0 HA LEU A 36 9.823 -12.368 -8.174 1.00 71.35 H new ATOM 0 HB2 LEU A 36 12.197 -12.585 -8.863 1.00 4.13 H new ATOM 0 HB3 LEU A 36 12.003 -12.089 -7.194 1.00 4.13 H new ATOM 0 HG LEU A 36 12.279 -14.672 -6.709 1.00 23.31 H new ATOM 0 HD11 LEU A 36 13.849 -15.730 -8.287 1.00 4.24 H new ATOM 0 HD12 LEU A 36 12.285 -15.366 -9.054 1.00 4.24 H new ATOM 0 HD13 LEU A 36 13.695 -14.328 -9.372 1.00 4.24 H new ATOM 0 HD21 LEU A 36 14.704 -14.309 -6.461 1.00 52.55 H new ATOM 0 HD22 LEU A 36 14.585 -12.851 -7.473 1.00 52.55 H new ATOM 0 HD23 LEU A 36 13.766 -12.907 -5.895 1.00 52.55 H new ATOM 560 N VAL A 37 10.610 -13.963 -10.264 1.00 71.21 N ATOM 561 CA VAL A 37 10.444 -14.847 -11.412 1.00 13.03 C ATOM 562 C VAL A 37 11.767 -15.060 -12.137 1.00 64.23 C ATOM 563 O VAL A 37 12.815 -14.599 -11.688 1.00 3.44 O ATOM 564 CB VAL A 37 9.410 -14.287 -12.407 1.00 10.44 C ATOM 565 CG1 VAL A 37 8.067 -14.082 -11.723 1.00 32.23 C ATOM 566 CG2 VAL A 37 9.910 -12.986 -13.018 1.00 32.42 C ATOM 0 H VAL A 37 11.106 -13.096 -10.468 1.00 71.21 H new ATOM 0 HA VAL A 37 10.086 -15.802 -11.027 1.00 13.03 H new ATOM 0 HB VAL A 37 9.275 -15.011 -13.210 1.00 10.44 H new ATOM 0 HG11 VAL A 37 7.349 -13.686 -12.442 1.00 32.23 H new ATOM 0 HG12 VAL A 37 7.706 -15.035 -11.337 1.00 32.23 H new ATOM 0 HG13 VAL A 37 8.182 -13.378 -10.899 1.00 32.23 H new ATOM 0 HG21 VAL A 37 9.167 -12.604 -13.719 1.00 32.42 H new ATOM 0 HG22 VAL A 37 10.075 -12.253 -12.228 1.00 32.42 H new ATOM 0 HG23 VAL A 37 10.846 -13.168 -13.545 1.00 32.42 H new ATOM 576 N GLY A 38 11.712 -15.763 -13.265 1.00 32.34 N ATOM 577 CA GLY A 38 12.913 -16.025 -14.035 1.00 60.44 C ATOM 578 C GLY A 38 12.989 -17.459 -14.521 1.00 20.42 C ATOM 579 O GLY A 38 11.985 -18.171 -14.533 1.00 31.40 O ATOM 0 H GLY A 38 10.857 -16.155 -13.659 1.00 32.34 H new ATOM 0 HA2 GLY A 38 12.945 -15.352 -14.892 1.00 60.44 H new ATOM 0 HA3 GLY A 38 13.788 -15.805 -13.424 1.00 60.44 H new ATOM 583 N TRP A 39 14.182 -17.883 -14.923 1.00 75.41 N ATOM 584 CA TRP A 39 14.384 -19.242 -15.414 1.00 11.03 C ATOM 585 C TRP A 39 15.817 -19.701 -15.169 1.00 31.43 C ATOM 586 O TRP A 39 16.675 -18.910 -14.778 1.00 51.44 O ATOM 587 CB TRP A 39 14.058 -19.321 -16.906 1.00 71.11 C ATOM 588 CG TRP A 39 15.051 -18.604 -17.770 1.00 12.22 C ATOM 589 CD1 TRP A 39 16.274 -19.063 -18.167 1.00 41.10 C ATOM 590 CD2 TRP A 39 14.905 -17.299 -18.341 1.00 11.02 C ATOM 591 NE1 TRP A 39 16.898 -18.122 -18.951 1.00 14.04 N ATOM 592 CE2 TRP A 39 16.078 -17.031 -19.073 1.00 61.21 C ATOM 593 CE3 TRP A 39 13.897 -16.332 -18.307 1.00 10.24 C ATOM 594 CZ2 TRP A 39 16.269 -15.837 -19.762 1.00 54.44 C ATOM 595 CZ3 TRP A 39 14.088 -15.147 -18.991 1.00 53.50 C ATOM 596 CH2 TRP A 39 15.265 -14.907 -19.712 1.00 24.44 C ATOM 0 H TRP A 39 15.023 -17.306 -14.919 1.00 75.41 H new ATOM 0 HA TRP A 39 13.712 -19.903 -14.867 1.00 11.03 H new ATOM 0 HB2 TRP A 39 14.015 -20.368 -17.206 1.00 71.11 H new ATOM 0 HB3 TRP A 39 13.067 -18.900 -17.077 1.00 71.11 H new ATOM 0 HD1 TRP A 39 16.690 -20.024 -17.904 1.00 41.10 H new ATOM 0 HE1 TRP A 39 17.821 -18.220 -19.373 1.00 14.04 H new ATOM 0 HE3 TRP A 39 12.985 -16.508 -17.756 1.00 10.24 H new ATOM 0 HZ2 TRP A 39 17.177 -15.650 -20.316 1.00 54.44 H new ATOM 0 HZ3 TRP A 39 13.316 -14.392 -18.970 1.00 53.50 H new ATOM 0 HH2 TRP A 39 15.383 -13.971 -20.238 1.00 24.44 H new ATOM 607 N VAL A 40 16.070 -20.986 -15.400 1.00 51.34 N ATOM 608 CA VAL A 40 17.400 -21.550 -15.206 1.00 2.01 C ATOM 609 C VAL A 40 17.790 -22.453 -16.371 1.00 34.35 C ATOM 610 O VAL A 40 16.954 -23.173 -16.916 1.00 53.24 O ATOM 611 CB VAL A 40 17.482 -22.356 -13.896 1.00 10.22 C ATOM 612 CG1 VAL A 40 18.894 -22.878 -13.677 1.00 73.33 C ATOM 613 CG2 VAL A 40 17.031 -21.505 -12.718 1.00 45.32 C ATOM 0 H VAL A 40 15.371 -21.655 -15.722 1.00 51.34 H new ATOM 0 HA VAL A 40 18.094 -20.712 -15.152 1.00 2.01 H new ATOM 0 HB VAL A 40 16.812 -23.212 -13.974 1.00 10.22 H new ATOM 0 HG11 VAL A 40 18.932 -23.445 -12.747 1.00 73.33 H new ATOM 0 HG12 VAL A 40 19.176 -23.525 -14.508 1.00 73.33 H new ATOM 0 HG13 VAL A 40 19.587 -22.039 -13.619 1.00 73.33 H new ATOM 0 HG21 VAL A 40 17.095 -22.090 -11.801 1.00 45.32 H new ATOM 0 HG22 VAL A 40 17.674 -20.629 -12.635 1.00 45.32 H new ATOM 0 HG23 VAL A 40 16.000 -21.186 -12.873 1.00 45.32 H new ATOM 623 N GLN A 41 19.064 -22.410 -16.745 1.00 62.31 N ATOM 624 CA GLN A 41 19.564 -23.225 -17.846 1.00 23.42 C ATOM 625 C GLN A 41 20.968 -23.741 -17.547 1.00 42.03 C ATOM 626 O GLN A 41 21.568 -23.384 -16.534 1.00 64.34 O ATOM 627 CB GLN A 41 19.570 -22.418 -19.145 1.00 3.42 C ATOM 628 CG GLN A 41 18.255 -22.478 -19.905 1.00 22.21 C ATOM 629 CD GLN A 41 18.142 -23.713 -20.777 1.00 55.10 C ATOM 630 OE1 GLN A 41 18.498 -23.690 -21.955 1.00 43.24 O ATOM 631 NE2 GLN A 41 17.643 -24.801 -20.201 1.00 53.35 N ATOM 0 H GLN A 41 19.769 -21.820 -16.302 1.00 62.31 H new ATOM 0 HA GLN A 41 18.899 -24.081 -17.962 1.00 23.42 H new ATOM 0 HB2 GLN A 41 19.800 -21.378 -18.915 1.00 3.42 H new ATOM 0 HB3 GLN A 41 20.369 -22.787 -19.788 1.00 3.42 H new ATOM 0 HG2 GLN A 41 17.428 -22.462 -19.195 1.00 22.21 H new ATOM 0 HG3 GLN A 41 18.158 -21.588 -20.527 1.00 22.21 H new ATOM 0 HE21 GLN A 41 17.360 -24.775 -19.221 1.00 53.35 H new ATOM 0 HE22 GLN A 41 17.542 -25.662 -20.738 1.00 53.35 H new ATOM 640 N ASN A 42 21.486 -24.583 -18.436 1.00 54.22 N ATOM 641 CA ASN A 42 22.819 -25.148 -18.267 1.00 62.51 C ATOM 642 C ASN A 42 23.603 -25.093 -19.575 1.00 23.34 C ATOM 643 O ASN A 42 23.035 -24.870 -20.644 1.00 51.31 O ATOM 644 CB ASN A 42 22.724 -26.595 -17.777 1.00 51.21 C ATOM 645 CG ASN A 42 22.210 -27.536 -18.849 1.00 54.23 C ATOM 646 OD1 ASN A 42 21.002 -27.668 -19.048 1.00 13.42 O ATOM 647 ND2 ASN A 42 23.127 -28.196 -19.547 1.00 11.24 N ATOM 0 H ASN A 42 21.002 -24.889 -19.280 1.00 54.22 H new ATOM 0 HA ASN A 42 23.347 -24.553 -17.522 1.00 62.51 H new ATOM 0 HB2 ASN A 42 23.707 -26.929 -17.446 1.00 51.21 H new ATOM 0 HB3 ASN A 42 22.064 -26.640 -16.911 1.00 51.21 H new ATOM 0 HD21 ASN A 42 22.841 -28.843 -20.282 1.00 11.24 H new ATOM 0 HD22 ASN A 42 24.118 -28.056 -19.348 1.00 11.24 H new ATOM 654 N THR A 43 24.913 -25.299 -19.482 1.00 24.40 N ATOM 655 CA THR A 43 25.776 -25.273 -20.656 1.00 43.22 C ATOM 656 C THR A 43 26.832 -26.370 -20.587 1.00 63.14 C ATOM 657 O THR A 43 27.171 -26.852 -19.506 1.00 50.13 O ATOM 658 CB THR A 43 26.478 -23.910 -20.807 1.00 53.22 C ATOM 659 OG1 THR A 43 27.519 -24.000 -21.786 1.00 73.32 O ATOM 660 CG2 THR A 43 27.062 -23.452 -19.479 1.00 53.34 C ATOM 0 H THR A 43 25.399 -25.486 -18.605 1.00 24.40 H new ATOM 0 HA THR A 43 25.136 -25.442 -21.522 1.00 43.22 H new ATOM 0 HB THR A 43 25.737 -23.179 -21.132 1.00 53.22 H new ATOM 0 HG1 THR A 43 27.959 -23.129 -21.877 1.00 73.32 H new ATOM 0 HG21 THR A 43 27.553 -22.488 -19.611 1.00 53.34 H new ATOM 0 HG22 THR A 43 26.263 -23.355 -18.744 1.00 53.34 H new ATOM 0 HG23 THR A 43 27.790 -24.184 -19.130 1.00 53.34 H new ATOM 668 N ASP A 44 27.350 -26.760 -21.747 1.00 74.21 N ATOM 669 CA ASP A 44 28.369 -27.800 -21.818 1.00 64.12 C ATOM 670 C ASP A 44 29.694 -27.302 -21.250 1.00 45.52 C ATOM 671 O ASP A 44 30.579 -28.094 -20.925 1.00 11.34 O ATOM 672 CB ASP A 44 28.561 -28.259 -23.265 1.00 13.42 C ATOM 673 CG ASP A 44 27.335 -28.959 -23.817 1.00 54.42 C ATOM 674 OD1 ASP A 44 26.546 -29.499 -23.013 1.00 4.33 O ATOM 675 OD2 ASP A 44 27.163 -28.966 -25.054 1.00 13.41 O ATOM 0 H ASP A 44 27.081 -26.371 -22.651 1.00 74.21 H new ATOM 0 HA ASP A 44 28.032 -28.646 -21.219 1.00 64.12 H new ATOM 0 HB2 ASP A 44 28.795 -27.396 -23.889 1.00 13.42 H new ATOM 0 HB3 ASP A 44 29.416 -28.933 -23.319 1.00 13.42 H new ATOM 680 N ARG A 45 29.825 -25.984 -21.135 1.00 53.00 N ATOM 681 CA ARG A 45 31.043 -25.380 -20.609 1.00 13.34 C ATOM 682 C ARG A 45 31.329 -25.877 -19.195 1.00 1.02 C ATOM 683 O ARG A 45 32.477 -25.893 -18.752 1.00 13.11 O ATOM 684 CB ARG A 45 30.922 -23.855 -20.610 1.00 5.32 C ATOM 685 CG ARG A 45 31.151 -23.227 -21.975 1.00 4.31 C ATOM 686 CD ARG A 45 31.707 -21.816 -21.853 1.00 71.43 C ATOM 687 NE ARG A 45 32.996 -21.793 -21.167 1.00 33.14 N ATOM 688 CZ ARG A 45 33.834 -20.764 -21.212 1.00 1.20 C ATOM 689 NH1 ARG A 45 33.521 -19.679 -21.907 1.00 74.34 N ATOM 690 NH2 ARG A 45 34.989 -20.818 -20.560 1.00 53.34 N ATOM 0 H ARG A 45 29.102 -25.314 -21.399 1.00 53.00 H new ATOM 0 HA ARG A 45 31.872 -25.673 -21.253 1.00 13.34 H new ATOM 0 HB2 ARG A 45 29.930 -23.577 -20.254 1.00 5.32 H new ATOM 0 HB3 ARG A 45 31.642 -23.441 -19.904 1.00 5.32 H new ATOM 0 HG2 ARG A 45 31.843 -23.844 -22.549 1.00 4.31 H new ATOM 0 HG3 ARG A 45 30.212 -23.203 -22.528 1.00 4.31 H new ATOM 0 HD2 ARG A 45 31.818 -21.383 -22.847 1.00 71.43 H new ATOM 0 HD3 ARG A 45 30.997 -21.192 -21.311 1.00 71.43 H new ATOM 0 HE ARG A 45 33.267 -22.612 -20.623 1.00 33.14 H new ATOM 0 HH11 ARG A 45 32.634 -19.633 -22.409 1.00 74.34 H new ATOM 0 HH12 ARG A 45 34.167 -18.890 -21.940 1.00 74.34 H new ATOM 0 HH21 ARG A 45 35.234 -21.651 -20.024 1.00 53.34 H new ATOM 0 HH22 ARG A 45 35.632 -20.027 -20.595 1.00 53.34 H new ATOM 704 N GLY A 46 30.276 -26.282 -18.491 1.00 24.04 N ATOM 705 CA GLY A 46 30.436 -26.773 -17.134 1.00 74.44 C ATOM 706 C GLY A 46 29.884 -25.812 -16.101 1.00 14.12 C ATOM 707 O GLY A 46 30.237 -25.883 -14.923 1.00 62.02 O ATOM 0 H GLY A 46 29.316 -26.279 -18.836 1.00 24.04 H new ATOM 0 HA2 GLY A 46 29.932 -27.735 -17.037 1.00 74.44 H new ATOM 0 HA3 GLY A 46 31.494 -26.946 -16.936 1.00 74.44 H new ATOM 711 N THR A 47 29.014 -24.907 -16.541 1.00 22.32 N ATOM 712 CA THR A 47 28.414 -23.925 -15.646 1.00 65.43 C ATOM 713 C THR A 47 26.892 -23.984 -15.707 1.00 24.13 C ATOM 714 O THR A 47 26.321 -24.792 -16.439 1.00 13.11 O ATOM 715 CB THR A 47 28.876 -22.497 -15.990 1.00 52.53 C ATOM 716 OG1 THR A 47 28.782 -22.278 -17.402 1.00 52.13 O ATOM 717 CG2 THR A 47 30.307 -22.265 -15.530 1.00 42.43 C ATOM 0 H THR A 47 28.710 -24.834 -17.512 1.00 22.32 H new ATOM 0 HA THR A 47 28.744 -24.172 -14.637 1.00 65.43 H new ATOM 0 HB THR A 47 28.226 -21.794 -15.470 1.00 52.53 H new ATOM 0 HG1 THR A 47 29.076 -21.367 -17.612 1.00 52.13 H new ATOM 0 HG21 THR A 47 30.611 -21.249 -15.784 1.00 42.43 H new ATOM 0 HG22 THR A 47 30.369 -22.403 -14.451 1.00 42.43 H new ATOM 0 HG23 THR A 47 30.968 -22.976 -16.025 1.00 42.43 H new ATOM 725 N VAL A 48 26.240 -23.122 -14.933 1.00 24.35 N ATOM 726 CA VAL A 48 24.783 -23.075 -14.900 1.00 25.15 C ATOM 727 C VAL A 48 24.277 -21.644 -15.042 1.00 73.35 C ATOM 728 O VAL A 48 24.191 -20.906 -14.062 1.00 42.50 O ATOM 729 CB VAL A 48 24.232 -23.675 -13.593 1.00 31.24 C ATOM 730 CG1 VAL A 48 22.717 -23.791 -13.656 1.00 34.30 C ATOM 731 CG2 VAL A 48 24.868 -25.030 -13.319 1.00 13.10 C ATOM 0 H VAL A 48 26.698 -22.447 -14.321 1.00 24.35 H new ATOM 0 HA VAL A 48 24.427 -23.669 -15.742 1.00 25.15 H new ATOM 0 HB VAL A 48 24.487 -23.007 -12.771 1.00 31.24 H new ATOM 0 HG11 VAL A 48 22.346 -24.217 -12.724 1.00 34.30 H new ATOM 0 HG12 VAL A 48 22.282 -22.802 -13.802 1.00 34.30 H new ATOM 0 HG13 VAL A 48 22.436 -24.437 -14.488 1.00 34.30 H new ATOM 0 HG21 VAL A 48 24.467 -25.439 -12.392 1.00 13.10 H new ATOM 0 HG22 VAL A 48 24.645 -25.709 -14.142 1.00 13.10 H new ATOM 0 HG23 VAL A 48 25.948 -24.913 -13.227 1.00 13.10 H new ATOM 741 N GLN A 49 23.942 -21.261 -16.270 1.00 75.02 N ATOM 742 CA GLN A 49 23.443 -19.918 -16.541 1.00 40.21 C ATOM 743 C GLN A 49 21.996 -19.771 -16.081 1.00 63.12 C ATOM 744 O GLN A 49 21.108 -20.477 -16.557 1.00 44.14 O ATOM 745 CB GLN A 49 23.550 -19.603 -18.034 1.00 45.31 C ATOM 746 CG GLN A 49 24.879 -18.978 -18.430 1.00 74.11 C ATOM 747 CD GLN A 49 25.149 -19.076 -19.919 1.00 30.25 C ATOM 748 OE1 GLN A 49 24.625 -19.958 -20.600 1.00 23.45 O ATOM 749 NE2 GLN A 49 25.970 -18.168 -20.432 1.00 63.14 N ATOM 0 H GLN A 49 24.007 -21.861 -17.092 1.00 75.02 H new ATOM 0 HA GLN A 49 24.056 -19.211 -15.982 1.00 40.21 H new ATOM 0 HB2 GLN A 49 23.407 -20.522 -18.602 1.00 45.31 H new ATOM 0 HB3 GLN A 49 22.742 -18.926 -18.313 1.00 45.31 H new ATOM 0 HG2 GLN A 49 24.887 -17.930 -18.131 1.00 74.11 H new ATOM 0 HG3 GLN A 49 25.685 -19.470 -17.885 1.00 74.11 H new ATOM 0 HE21 GLN A 49 26.382 -17.455 -19.830 1.00 63.14 H new ATOM 0 HE22 GLN A 49 26.189 -18.183 -21.428 1.00 63.14 H new ATOM 758 N GLY A 50 21.767 -18.849 -15.151 1.00 53.01 N ATOM 759 CA GLY A 50 20.426 -18.627 -14.642 1.00 0.21 C ATOM 760 C GLY A 50 20.025 -17.166 -14.683 1.00 1.53 C ATOM 761 O GLY A 50 20.808 -16.291 -14.315 1.00 5.41 O ATOM 0 H GLY A 50 22.486 -18.252 -14.741 1.00 53.01 H new ATOM 0 HA2 GLY A 50 19.717 -19.212 -15.228 1.00 0.21 H new ATOM 0 HA3 GLY A 50 20.366 -18.988 -13.615 1.00 0.21 H new ATOM 765 N GLN A 51 18.803 -16.901 -15.133 1.00 33.24 N ATOM 766 CA GLN A 51 18.301 -15.535 -15.222 1.00 61.03 C ATOM 767 C GLN A 51 17.436 -15.192 -14.014 1.00 31.51 C ATOM 768 O GLN A 51 16.641 -16.013 -13.553 1.00 64.31 O ATOM 769 CB GLN A 51 17.497 -15.348 -16.510 1.00 34.12 C ATOM 770 CG GLN A 51 16.925 -13.949 -16.673 1.00 3.25 C ATOM 771 CD GLN A 51 17.989 -12.918 -16.994 1.00 43.20 C ATOM 772 OE1 GLN A 51 18.978 -12.783 -16.272 1.00 70.45 O ATOM 773 NE2 GLN A 51 17.792 -12.183 -18.082 1.00 40.31 N ATOM 0 H GLN A 51 18.142 -17.614 -15.442 1.00 33.24 H new ATOM 0 HA GLN A 51 19.157 -14.861 -15.235 1.00 61.03 H new ATOM 0 HB2 GLN A 51 18.137 -15.571 -17.364 1.00 34.12 H new ATOM 0 HB3 GLN A 51 16.680 -16.070 -16.527 1.00 34.12 H new ATOM 0 HG2 GLN A 51 16.179 -13.956 -17.468 1.00 3.25 H new ATOM 0 HG3 GLN A 51 16.411 -13.662 -15.756 1.00 3.25 H new ATOM 0 HE21 GLN A 51 16.958 -12.328 -18.652 1.00 40.31 H new ATOM 0 HE22 GLN A 51 18.474 -11.473 -18.348 1.00 40.31 H new ATOM 782 N LEU A 52 17.595 -13.976 -13.504 1.00 41.05 N ATOM 783 CA LEU A 52 16.828 -13.524 -12.348 1.00 65.25 C ATOM 784 C LEU A 52 16.240 -12.138 -12.593 1.00 24.20 C ATOM 785 O LEU A 52 16.962 -11.198 -12.924 1.00 13.31 O ATOM 786 CB LEU A 52 17.714 -13.502 -11.101 1.00 60.34 C ATOM 787 CG LEU A 52 17.160 -12.738 -9.898 1.00 44.24 C ATOM 788 CD1 LEU A 52 15.877 -13.384 -9.400 1.00 51.32 C ATOM 789 CD2 LEU A 52 18.195 -12.675 -8.784 1.00 41.45 C ATOM 0 H LEU A 52 18.248 -13.285 -13.873 1.00 41.05 H new ATOM 0 HA LEU A 52 16.007 -14.224 -12.191 1.00 65.25 H new ATOM 0 HB2 LEU A 52 17.904 -14.531 -10.796 1.00 60.34 H new ATOM 0 HB3 LEU A 52 18.676 -13.067 -11.371 1.00 60.34 H new ATOM 0 HG LEU A 52 16.931 -11.720 -10.212 1.00 44.24 H new ATOM 0 HD11 LEU A 52 15.498 -12.827 -8.544 1.00 51.32 H new ATOM 0 HD12 LEU A 52 15.133 -13.376 -10.196 1.00 51.32 H new ATOM 0 HD13 LEU A 52 16.079 -14.413 -9.102 1.00 51.32 H new ATOM 0 HD21 LEU A 52 17.784 -12.128 -7.936 1.00 41.45 H new ATOM 0 HD22 LEU A 52 18.455 -13.686 -8.472 1.00 41.45 H new ATOM 0 HD23 LEU A 52 19.088 -12.166 -9.146 1.00 41.45 H new ATOM 801 N GLN A 53 14.927 -12.020 -12.426 1.00 21.34 N ATOM 802 CA GLN A 53 14.243 -10.748 -12.627 1.00 21.52 C ATOM 803 C GLN A 53 13.461 -10.348 -11.380 1.00 53.04 C ATOM 804 O GLN A 53 13.045 -11.200 -10.596 1.00 3.43 O ATOM 805 CB GLN A 53 13.301 -10.837 -13.828 1.00 53.35 C ATOM 806 CG GLN A 53 13.974 -11.342 -15.094 1.00 63.40 C ATOM 807 CD GLN A 53 12.979 -11.734 -16.168 1.00 71.03 C ATOM 808 OE1 GLN A 53 12.743 -10.984 -17.116 1.00 2.33 O ATOM 809 NE2 GLN A 53 12.388 -12.915 -16.026 1.00 44.14 N ATOM 0 H GLN A 53 14.316 -12.789 -12.152 1.00 21.34 H new ATOM 0 HA GLN A 53 14.997 -9.985 -12.821 1.00 21.52 H new ATOM 0 HB2 GLN A 53 12.471 -11.498 -13.580 1.00 53.35 H new ATOM 0 HB3 GLN A 53 12.877 -9.851 -14.020 1.00 53.35 H new ATOM 0 HG2 GLN A 53 14.636 -10.568 -15.482 1.00 63.40 H new ATOM 0 HG3 GLN A 53 14.598 -12.202 -14.851 1.00 63.40 H new ATOM 0 HE21 GLN A 53 12.613 -13.505 -15.225 1.00 44.14 H new ATOM 0 HE22 GLN A 53 11.709 -13.232 -16.718 1.00 44.14 H new ATOM 818 N GLY A 54 13.264 -9.045 -11.205 1.00 15.25 N ATOM 819 CA GLY A 54 12.532 -8.554 -10.051 1.00 71.32 C ATOM 820 C GLY A 54 13.021 -7.196 -9.589 1.00 24.33 C ATOM 821 O GLY A 54 13.912 -6.596 -10.190 1.00 41.22 O ATOM 0 H GLY A 54 13.598 -8.321 -11.841 1.00 15.25 H new ATOM 0 HA2 GLY A 54 11.472 -8.491 -10.297 1.00 71.32 H new ATOM 0 HA3 GLY A 54 12.627 -9.268 -9.233 1.00 71.32 H new ATOM 825 N PRO A 55 12.431 -6.691 -8.496 1.00 13.23 N ATOM 826 CA PRO A 55 12.795 -5.389 -7.929 1.00 43.35 C ATOM 827 C PRO A 55 14.182 -5.400 -7.295 1.00 33.33 C ATOM 828 O PRO A 55 14.601 -6.403 -6.716 1.00 0.02 O ATOM 829 CB PRO A 55 11.722 -5.152 -6.865 1.00 14.24 C ATOM 830 CG PRO A 55 11.260 -6.516 -6.482 1.00 53.44 C ATOM 831 CD PRO A 55 11.362 -7.352 -7.728 1.00 51.41 C ATOM 0 HA PRO A 55 12.837 -4.611 -8.691 1.00 43.35 H new ATOM 0 HB2 PRO A 55 12.127 -4.616 -6.007 1.00 14.24 H new ATOM 0 HB3 PRO A 55 10.901 -4.552 -7.257 1.00 14.24 H new ATOM 0 HG2 PRO A 55 11.878 -6.928 -5.684 1.00 53.44 H new ATOM 0 HG3 PRO A 55 10.235 -6.491 -6.111 1.00 53.44 H new ATOM 0 HD2 PRO A 55 11.614 -8.387 -7.498 1.00 51.41 H new ATOM 0 HD3 PRO A 55 10.422 -7.368 -8.279 1.00 51.41 H new ATOM 839 N ILE A 56 14.888 -4.280 -7.407 1.00 30.43 N ATOM 840 CA ILE A 56 16.227 -4.162 -6.842 1.00 35.41 C ATOM 841 C ILE A 56 16.224 -4.479 -5.350 1.00 73.54 C ATOM 842 O ILE A 56 17.240 -4.890 -4.791 1.00 23.03 O ATOM 843 CB ILE A 56 16.805 -2.751 -7.054 1.00 54.31 C ATOM 844 CG1 ILE A 56 18.284 -2.718 -6.666 1.00 22.12 C ATOM 845 CG2 ILE A 56 16.017 -1.729 -6.247 1.00 60.14 C ATOM 846 CD1 ILE A 56 19.043 -1.558 -7.272 1.00 73.55 C ATOM 0 H ILE A 56 14.556 -3.442 -7.884 1.00 30.43 H new ATOM 0 HA ILE A 56 16.854 -4.885 -7.364 1.00 35.41 H new ATOM 0 HB ILE A 56 16.720 -2.495 -8.110 1.00 54.31 H new ATOM 0 HG12 ILE A 56 18.365 -2.667 -5.580 1.00 22.12 H new ATOM 0 HG13 ILE A 56 18.754 -3.651 -6.977 1.00 22.12 H new ATOM 0 HG21 ILE A 56 16.438 -0.736 -6.407 1.00 60.14 H new ATOM 0 HG22 ILE A 56 14.975 -1.738 -6.567 1.00 60.14 H new ATOM 0 HG23 ILE A 56 16.073 -1.980 -5.188 1.00 60.14 H new ATOM 0 HD11 ILE A 56 20.085 -1.599 -6.954 1.00 73.55 H new ATOM 0 HD12 ILE A 56 18.993 -1.619 -8.359 1.00 73.55 H new ATOM 0 HD13 ILE A 56 18.599 -0.620 -6.940 1.00 73.55 H new ATOM 858 N SER A 57 15.074 -4.288 -4.712 1.00 54.23 N ATOM 859 CA SER A 57 14.938 -4.551 -3.285 1.00 23.55 C ATOM 860 C SER A 57 15.008 -6.049 -3.000 1.00 14.33 C ATOM 861 O SER A 57 15.385 -6.468 -1.905 1.00 45.04 O ATOM 862 CB SER A 57 13.618 -3.982 -2.762 1.00 71.01 C ATOM 863 OG SER A 57 13.567 -4.029 -1.347 1.00 11.23 O ATOM 0 H SER A 57 14.222 -3.952 -5.162 1.00 54.23 H new ATOM 0 HA SER A 57 15.765 -4.061 -2.770 1.00 23.55 H new ATOM 0 HB2 SER A 57 13.504 -2.952 -3.099 1.00 71.01 H new ATOM 0 HB3 SER A 57 12.784 -4.548 -3.178 1.00 71.01 H new ATOM 0 HG SER A 57 12.714 -3.658 -1.038 1.00 11.23 H new ATOM 869 N LYS A 58 14.640 -6.851 -3.993 1.00 31.12 N ATOM 870 CA LYS A 58 14.661 -8.302 -3.852 1.00 75.24 C ATOM 871 C LYS A 58 15.897 -8.896 -4.520 1.00 12.00 C ATOM 872 O LYS A 58 16.363 -9.971 -4.142 1.00 4.54 O ATOM 873 CB LYS A 58 13.396 -8.912 -4.462 1.00 22.23 C ATOM 874 CG LYS A 58 12.135 -8.614 -3.670 1.00 54.13 C ATOM 875 CD LYS A 58 11.995 -9.540 -2.474 1.00 33.20 C ATOM 876 CE LYS A 58 11.139 -8.916 -1.382 1.00 42.44 C ATOM 877 NZ LYS A 58 11.828 -7.771 -0.725 1.00 11.40 N ATOM 0 H LYS A 58 14.323 -6.521 -4.905 1.00 31.12 H new ATOM 0 HA LYS A 58 14.696 -8.538 -2.789 1.00 75.24 H new ATOM 0 HB2 LYS A 58 13.275 -8.536 -5.478 1.00 22.23 H new ATOM 0 HB3 LYS A 58 13.522 -9.992 -4.535 1.00 22.23 H new ATOM 0 HG2 LYS A 58 12.155 -7.579 -3.329 1.00 54.13 H new ATOM 0 HG3 LYS A 58 11.264 -8.720 -4.317 1.00 54.13 H new ATOM 0 HD2 LYS A 58 11.550 -10.483 -2.793 1.00 33.20 H new ATOM 0 HD3 LYS A 58 12.982 -9.773 -2.075 1.00 33.20 H new ATOM 0 HE2 LYS A 58 10.196 -8.576 -1.810 1.00 42.44 H new ATOM 0 HE3 LYS A 58 10.896 -9.671 -0.635 1.00 42.44 H new ATOM 0 HZ1 LYS A 58 11.405 -7.601 0.210 1.00 11.40 H new ATOM 0 HZ2 LYS A 58 12.838 -7.992 -0.613 1.00 11.40 H new ATOM 0 HZ3 LYS A 58 11.723 -6.919 -1.312 1.00 11.40 H new ATOM 891 N VAL A 59 16.424 -8.189 -5.514 1.00 41.25 N ATOM 892 CA VAL A 59 17.608 -8.645 -6.233 1.00 10.21 C ATOM 893 C VAL A 59 18.881 -8.309 -5.464 1.00 32.12 C ATOM 894 O VAL A 59 19.906 -8.973 -5.620 1.00 51.32 O ATOM 895 CB VAL A 59 17.689 -8.017 -7.637 1.00 10.20 C ATOM 896 CG1 VAL A 59 18.939 -8.491 -8.363 1.00 13.01 C ATOM 897 CG2 VAL A 59 16.439 -8.345 -8.440 1.00 3.02 C ATOM 0 H VAL A 59 16.050 -7.298 -5.840 1.00 41.25 H new ATOM 0 HA VAL A 59 17.521 -9.727 -6.332 1.00 10.21 H new ATOM 0 HB VAL A 59 17.750 -6.934 -7.529 1.00 10.20 H new ATOM 0 HG11 VAL A 59 18.979 -8.037 -9.353 1.00 13.01 H new ATOM 0 HG12 VAL A 59 19.822 -8.200 -7.794 1.00 13.01 H new ATOM 0 HG13 VAL A 59 18.913 -9.576 -8.462 1.00 13.01 H new ATOM 0 HG21 VAL A 59 16.513 -7.893 -9.429 1.00 3.02 H new ATOM 0 HG22 VAL A 59 16.345 -9.426 -8.541 1.00 3.02 H new ATOM 0 HG23 VAL A 59 15.562 -7.951 -7.926 1.00 3.02 H new ATOM 907 N ARG A 60 18.808 -7.275 -4.632 1.00 73.02 N ATOM 908 CA ARG A 60 19.955 -6.850 -3.839 1.00 34.45 C ATOM 909 C ARG A 60 20.201 -7.813 -2.681 1.00 21.32 C ATOM 910 O ARG A 60 21.322 -7.929 -2.184 1.00 33.14 O ATOM 911 CB ARG A 60 19.734 -5.435 -3.301 1.00 32.42 C ATOM 912 CG ARG A 60 20.051 -4.344 -4.310 1.00 1.12 C ATOM 913 CD ARG A 60 21.550 -4.123 -4.439 1.00 21.21 C ATOM 914 NE ARG A 60 21.864 -2.810 -4.995 1.00 1.22 N ATOM 915 CZ ARG A 60 23.059 -2.237 -4.897 1.00 53.03 C ATOM 916 NH1 ARG A 60 24.047 -2.859 -4.269 1.00 73.32 N ATOM 917 NH2 ARG A 60 23.267 -1.039 -5.429 1.00 60.43 N ATOM 0 H ARG A 60 17.967 -6.716 -4.490 1.00 73.02 H new ATOM 0 HA ARG A 60 20.833 -6.853 -4.485 1.00 34.45 H new ATOM 0 HB2 ARG A 60 18.696 -5.334 -2.983 1.00 32.42 H new ATOM 0 HB3 ARG A 60 20.354 -5.291 -2.416 1.00 32.42 H new ATOM 0 HG2 ARG A 60 19.637 -4.614 -5.282 1.00 1.12 H new ATOM 0 HG3 ARG A 60 19.570 -3.414 -4.006 1.00 1.12 H new ATOM 0 HD2 ARG A 60 22.017 -4.223 -3.459 1.00 21.21 H new ATOM 0 HD3 ARG A 60 21.977 -4.898 -5.076 1.00 21.21 H new ATOM 0 HE ARG A 60 21.126 -2.305 -5.485 1.00 1.22 H new ATOM 0 HH11 ARG A 60 23.891 -3.780 -3.859 1.00 73.32 H new ATOM 0 HH12 ARG A 60 24.963 -2.417 -4.195 1.00 73.32 H new ATOM 0 HH21 ARG A 60 22.509 -0.558 -5.913 1.00 60.43 H new ATOM 0 HH22 ARG A 60 24.184 -0.600 -5.353 1.00 60.43 H new ATOM 931 N HIS A 61 19.147 -8.502 -2.256 1.00 35.11 N ATOM 932 CA HIS A 61 19.248 -9.455 -1.157 1.00 24.35 C ATOM 933 C HIS A 61 19.558 -10.855 -1.678 1.00 73.22 C ATOM 934 O HIS A 61 20.332 -11.596 -1.073 1.00 62.14 O ATOM 935 CB HIS A 61 17.950 -9.475 -0.349 1.00 5.34 C ATOM 936 CG HIS A 61 18.140 -9.884 1.080 1.00 41.43 C ATOM 937 ND1 HIS A 61 18.539 -9.007 2.067 1.00 61.32 N ATOM 938 CD2 HIS A 61 17.981 -11.084 1.686 1.00 44.53 C ATOM 939 CE1 HIS A 61 18.619 -9.651 3.218 1.00 43.13 C ATOM 940 NE2 HIS A 61 18.285 -10.912 3.014 1.00 65.42 N ATOM 0 H HIS A 61 18.213 -8.418 -2.656 1.00 35.11 H new ATOM 0 HA HIS A 61 20.065 -9.138 -0.509 1.00 24.35 H new ATOM 0 HB2 HIS A 61 17.499 -8.483 -0.378 1.00 5.34 H new ATOM 0 HB3 HIS A 61 17.247 -10.159 -0.824 1.00 5.34 H new ATOM 0 HD2 HIS A 61 17.673 -12.005 1.213 1.00 44.53 H new ATOM 0 HE1 HIS A 61 18.908 -9.219 4.165 1.00 43.13 H new ATOM 0 HE2 HIS A 61 18.257 -11.640 3.727 1.00 65.42 H new ATOM 948 N MET A 62 18.947 -11.211 -2.804 1.00 14.54 N ATOM 949 CA MET A 62 19.158 -12.522 -3.406 1.00 53.43 C ATOM 950 C MET A 62 20.603 -12.682 -3.866 1.00 62.23 C ATOM 951 O MET A 62 21.206 -13.740 -3.688 1.00 1.03 O ATOM 952 CB MET A 62 18.209 -12.722 -4.589 1.00 55.54 C ATOM 953 CG MET A 62 16.840 -13.249 -4.188 1.00 64.05 C ATOM 954 SD MET A 62 16.901 -14.945 -3.579 1.00 2.22 S ATOM 955 CE MET A 62 15.485 -15.656 -4.414 1.00 43.21 C ATOM 0 H MET A 62 18.302 -10.610 -3.317 1.00 14.54 H new ATOM 0 HA MET A 62 18.950 -13.279 -2.650 1.00 53.43 H new ATOM 0 HB2 MET A 62 18.085 -11.772 -5.110 1.00 55.54 H new ATOM 0 HB3 MET A 62 18.664 -13.416 -5.296 1.00 55.54 H new ATOM 0 HG2 MET A 62 16.419 -12.605 -3.416 1.00 64.05 H new ATOM 0 HG3 MET A 62 16.170 -13.199 -5.046 1.00 64.05 H new ATOM 0 HE1 MET A 62 15.173 -16.562 -3.894 1.00 43.21 H new ATOM 0 HE2 MET A 62 14.665 -14.938 -4.416 1.00 43.21 H new ATOM 0 HE3 MET A 62 15.754 -15.902 -5.441 1.00 43.21 H new ATOM 965 N GLN A 63 21.152 -11.626 -4.459 1.00 33.43 N ATOM 966 CA GLN A 63 22.526 -11.652 -4.945 1.00 22.32 C ATOM 967 C GLN A 63 23.487 -12.077 -3.839 1.00 12.32 C ATOM 968 O GLN A 63 24.488 -12.745 -4.096 1.00 55.24 O ATOM 969 CB GLN A 63 22.925 -10.277 -5.483 1.00 61.11 C ATOM 970 CG GLN A 63 22.786 -9.160 -4.461 1.00 65.23 C ATOM 971 CD GLN A 63 23.074 -7.793 -5.049 1.00 2.41 C ATOM 972 OE1 GLN A 63 22.656 -7.484 -6.165 1.00 45.52 O ATOM 973 NE2 GLN A 63 23.791 -6.964 -4.298 1.00 62.44 N ATOM 0 H GLN A 63 20.666 -10.743 -4.614 1.00 33.43 H new ATOM 0 HA GLN A 63 22.585 -12.382 -5.753 1.00 22.32 H new ATOM 0 HB2 GLN A 63 23.958 -10.317 -5.827 1.00 61.11 H new ATOM 0 HB3 GLN A 63 22.309 -10.043 -6.351 1.00 61.11 H new ATOM 0 HG2 GLN A 63 21.776 -9.170 -4.052 1.00 65.23 H new ATOM 0 HG3 GLN A 63 23.468 -9.345 -3.631 1.00 65.23 H new ATOM 0 HE21 GLN A 63 24.117 -7.262 -3.379 1.00 62.44 H new ATOM 0 HE22 GLN A 63 24.015 -6.030 -4.641 1.00 62.44 H new ATOM 982 N GLU A 64 23.175 -11.684 -2.608 1.00 1.52 N ATOM 983 CA GLU A 64 24.012 -12.023 -1.463 1.00 44.12 C ATOM 984 C GLU A 64 23.486 -13.267 -0.754 1.00 14.04 C ATOM 985 O GLU A 64 23.659 -13.425 0.455 1.00 54.11 O ATOM 986 CB GLU A 64 24.073 -10.850 -0.482 1.00 65.32 C ATOM 987 CG GLU A 64 24.325 -9.509 -1.151 1.00 61.53 C ATOM 988 CD GLU A 64 25.035 -8.527 -0.240 1.00 65.14 C ATOM 989 OE1 GLU A 64 25.002 -8.730 0.991 1.00 32.35 O ATOM 990 OE2 GLU A 64 25.625 -7.556 -0.759 1.00 15.23 O ATOM 0 H GLU A 64 22.349 -11.131 -2.378 1.00 1.52 H new ATOM 0 HA GLU A 64 25.017 -12.233 -1.830 1.00 44.12 H new ATOM 0 HB2 GLU A 64 23.135 -10.800 0.070 1.00 65.32 H new ATOM 0 HB3 GLU A 64 24.862 -11.037 0.246 1.00 65.32 H new ATOM 0 HG2 GLU A 64 24.922 -9.662 -2.050 1.00 61.53 H new ATOM 0 HG3 GLU A 64 23.374 -9.082 -1.469 1.00 61.53 H new ATOM 997 N TRP A 65 22.842 -14.146 -1.513 1.00 42.13 N ATOM 998 CA TRP A 65 22.289 -15.376 -0.958 1.00 3.14 C ATOM 999 C TRP A 65 22.644 -16.575 -1.830 1.00 55.13 C ATOM 1000 O TRP A 65 23.007 -17.638 -1.325 1.00 3.44 O ATOM 1001 CB TRP A 65 20.770 -15.260 -0.821 1.00 22.23 C ATOM 1002 CG TRP A 65 20.166 -16.338 0.028 1.00 65.23 C ATOM 1003 CD1 TRP A 65 20.130 -17.675 -0.249 1.00 51.01 C ATOM 1004 CD2 TRP A 65 19.511 -16.170 1.290 1.00 43.45 C ATOM 1005 NE1 TRP A 65 19.491 -18.348 0.765 1.00 43.32 N ATOM 1006 CE2 TRP A 65 19.103 -17.447 1.721 1.00 41.11 C ATOM 1007 CE3 TRP A 65 19.232 -15.065 2.098 1.00 54.41 C ATOM 1008 CZ2 TRP A 65 18.430 -17.646 2.923 1.00 20.33 C ATOM 1009 CZ3 TRP A 65 18.563 -15.264 3.291 1.00 62.12 C ATOM 1010 CH2 TRP A 65 18.169 -16.547 3.695 1.00 41.42 C ATOM 0 H TRP A 65 22.690 -14.030 -2.515 1.00 42.13 H new ATOM 0 HA TRP A 65 22.725 -15.528 0.029 1.00 3.14 H new ATOM 0 HB2 TRP A 65 20.524 -14.289 -0.392 1.00 22.23 H new ATOM 0 HB3 TRP A 65 20.319 -15.293 -1.813 1.00 22.23 H new ATOM 0 HD1 TRP A 65 20.543 -18.136 -1.134 1.00 51.01 H new ATOM 0 HE1 TRP A 65 19.332 -19.355 0.800 1.00 43.32 H new ATOM 0 HE3 TRP A 65 19.534 -14.073 1.796 1.00 54.41 H new ATOM 0 HZ2 TRP A 65 18.124 -18.634 3.235 1.00 20.33 H new ATOM 0 HZ3 TRP A 65 18.340 -14.417 3.922 1.00 62.12 H new ATOM 0 HH2 TRP A 65 17.649 -16.670 4.634 1.00 41.42 H new ATOM 1021 N LEU A 66 22.536 -16.399 -3.142 1.00 55.45 N ATOM 1022 CA LEU A 66 22.845 -17.467 -4.086 1.00 62.11 C ATOM 1023 C LEU A 66 24.347 -17.552 -4.339 1.00 50.44 C ATOM 1024 O LEU A 66 24.816 -18.435 -5.057 1.00 12.43 O ATOM 1025 CB LEU A 66 22.106 -17.239 -5.406 1.00 31.13 C ATOM 1026 CG LEU A 66 20.610 -17.557 -5.401 1.00 2.13 C ATOM 1027 CD1 LEU A 66 19.846 -16.517 -4.596 1.00 42.11 C ATOM 1028 CD2 LEU A 66 20.076 -17.631 -6.824 1.00 11.03 C ATOM 0 H LEU A 66 22.237 -15.526 -3.577 1.00 55.45 H new ATOM 0 HA LEU A 66 22.514 -18.410 -3.650 1.00 62.11 H new ATOM 0 HB2 LEU A 66 22.234 -16.196 -5.696 1.00 31.13 H new ATOM 0 HB3 LEU A 66 22.583 -17.845 -6.176 1.00 31.13 H new ATOM 0 HG LEU A 66 20.466 -18.529 -4.929 1.00 2.13 H new ATOM 0 HD11 LEU A 66 18.783 -16.760 -4.604 1.00 42.11 H new ATOM 0 HD12 LEU A 66 20.210 -16.513 -3.569 1.00 42.11 H new ATOM 0 HD13 LEU A 66 19.996 -15.532 -5.038 1.00 42.11 H new ATOM 0 HD21 LEU A 66 19.010 -17.858 -6.801 1.00 11.03 H new ATOM 0 HD22 LEU A 66 20.233 -16.674 -7.322 1.00 11.03 H new ATOM 0 HD23 LEU A 66 20.602 -18.414 -7.370 1.00 11.03 H new ATOM 1040 N GLU A 67 25.095 -16.628 -3.744 1.00 23.32 N ATOM 1041 CA GLU A 67 26.544 -16.600 -3.905 1.00 23.24 C ATOM 1042 C GLU A 67 27.243 -17.039 -2.621 1.00 12.45 C ATOM 1043 O GLU A 67 28.424 -17.386 -2.630 1.00 3.24 O ATOM 1044 CB GLU A 67 27.009 -15.196 -4.297 1.00 61.21 C ATOM 1045 CG GLU A 67 26.977 -14.201 -3.149 1.00 73.22 C ATOM 1046 CD GLU A 67 27.462 -12.824 -3.557 1.00 52.33 C ATOM 1047 OE1 GLU A 67 27.818 -12.648 -4.741 1.00 53.55 O ATOM 1048 OE2 GLU A 67 27.486 -11.922 -2.693 1.00 71.54 O ATOM 0 H GLU A 67 24.722 -15.890 -3.147 1.00 23.32 H new ATOM 0 HA GLU A 67 26.809 -17.298 -4.699 1.00 23.24 H new ATOM 0 HB2 GLU A 67 28.025 -15.255 -4.687 1.00 61.21 H new ATOM 0 HB3 GLU A 67 26.378 -14.826 -5.105 1.00 61.21 H new ATOM 0 HG2 GLU A 67 25.959 -14.125 -2.767 1.00 73.22 H new ATOM 0 HG3 GLU A 67 27.596 -14.573 -2.333 1.00 73.22 H new ATOM 1055 N THR A 68 26.504 -17.019 -1.516 1.00 33.54 N ATOM 1056 CA THR A 68 27.051 -17.413 -0.223 1.00 52.33 C ATOM 1057 C THR A 68 26.352 -18.656 0.314 1.00 21.32 C ATOM 1058 O THR A 68 27.000 -19.578 0.810 1.00 71.53 O ATOM 1059 CB THR A 68 26.922 -16.278 0.810 1.00 15.13 C ATOM 1060 OG1 THR A 68 27.111 -16.795 2.132 1.00 24.10 O ATOM 1061 CG2 THR A 68 25.558 -15.610 0.713 1.00 43.23 C ATOM 0 H THR A 68 25.525 -16.734 -1.490 1.00 33.54 H new ATOM 0 HA THR A 68 28.107 -17.633 -0.380 1.00 52.33 H new ATOM 0 HB THR A 68 27.690 -15.534 0.597 1.00 15.13 H new ATOM 0 HG1 THR A 68 27.029 -16.067 2.783 1.00 24.10 H new ATOM 0 HG21 THR A 68 25.490 -14.812 1.452 1.00 43.23 H new ATOM 0 HG22 THR A 68 25.428 -15.192 -0.285 1.00 43.23 H new ATOM 0 HG23 THR A 68 24.778 -16.347 0.903 1.00 43.23 H new ATOM 1069 N ARG A 69 25.027 -18.675 0.213 1.00 61.44 N ATOM 1070 CA ARG A 69 24.241 -19.807 0.689 1.00 15.53 C ATOM 1071 C ARG A 69 23.919 -20.766 -0.453 1.00 45.42 C ATOM 1072 O ARG A 69 24.511 -21.839 -0.562 1.00 4.45 O ATOM 1073 CB ARG A 69 22.944 -19.317 1.338 1.00 44.44 C ATOM 1074 CG ARG A 69 21.943 -20.427 1.612 1.00 2.12 C ATOM 1075 CD ARG A 69 22.558 -21.537 2.450 1.00 2.23 C ATOM 1076 NE ARG A 69 23.177 -21.023 3.669 1.00 23.33 N ATOM 1077 CZ ARG A 69 23.883 -21.774 4.508 1.00 72.13 C ATOM 1078 NH1 ARG A 69 24.058 -23.065 4.260 1.00 41.21 N ATOM 1079 NH2 ARG A 69 24.415 -21.234 5.596 1.00 2.05 N ATOM 0 H ARG A 69 24.475 -17.920 -0.194 1.00 61.44 H new ATOM 0 HA ARG A 69 24.833 -20.341 1.432 1.00 15.53 H new ATOM 0 HB2 ARG A 69 23.184 -18.816 2.276 1.00 44.44 H new ATOM 0 HB3 ARG A 69 22.481 -18.574 0.689 1.00 44.44 H new ATOM 0 HG2 ARG A 69 21.076 -20.017 2.129 1.00 2.12 H new ATOM 0 HG3 ARG A 69 21.586 -20.838 0.668 1.00 2.12 H new ATOM 0 HD2 ARG A 69 21.788 -22.262 2.712 1.00 2.23 H new ATOM 0 HD3 ARG A 69 23.306 -22.066 1.859 1.00 2.23 H new ATOM 0 HE ARG A 69 23.061 -20.034 3.888 1.00 23.33 H new ATOM 0 HH11 ARG A 69 23.650 -23.484 3.424 1.00 41.21 H new ATOM 0 HH12 ARG A 69 24.600 -23.639 4.905 1.00 41.21 H new ATOM 0 HH21 ARG A 69 24.283 -20.241 5.790 1.00 2.05 H new ATOM 0 HH22 ARG A 69 24.957 -21.811 6.239 1.00 2.05 H new ATOM 1093 N GLY A 70 22.977 -20.371 -1.304 1.00 12.52 N ATOM 1094 CA GLY A 70 22.593 -21.206 -2.426 1.00 71.42 C ATOM 1095 C GLY A 70 22.064 -22.558 -1.989 1.00 15.45 C ATOM 1096 O GLY A 70 22.160 -22.920 -0.816 1.00 0.51 O ATOM 0 H GLY A 70 22.473 -19.487 -1.236 1.00 12.52 H new ATOM 0 HA2 GLY A 70 21.830 -20.693 -3.012 1.00 71.42 H new ATOM 0 HA3 GLY A 70 23.454 -21.350 -3.079 1.00 71.42 H new ATOM 1100 N SER A 71 21.501 -23.305 -2.933 1.00 31.23 N ATOM 1101 CA SER A 71 20.949 -24.622 -2.637 1.00 71.11 C ATOM 1102 C SER A 71 22.037 -25.567 -2.135 1.00 74.04 C ATOM 1103 O SER A 71 23.230 -25.345 -2.340 1.00 22.03 O ATOM 1104 CB SER A 71 20.281 -25.210 -3.882 1.00 45.20 C ATOM 1105 OG SER A 71 18.914 -24.843 -3.949 1.00 22.33 O ATOM 0 H SER A 71 21.415 -23.021 -3.909 1.00 31.23 H new ATOM 0 HA SER A 71 20.201 -24.507 -1.852 1.00 71.11 H new ATOM 0 HB2 SER A 71 20.799 -24.861 -4.775 1.00 45.20 H new ATOM 0 HB3 SER A 71 20.369 -26.296 -3.867 1.00 45.20 H new ATOM 0 HG SER A 71 18.837 -23.866 -3.951 1.00 22.33 H new ATOM 1111 N PRO A 72 21.616 -26.648 -1.462 1.00 13.00 N ATOM 1112 CA PRO A 72 22.537 -27.649 -0.917 1.00 20.51 C ATOM 1113 C PRO A 72 23.212 -28.472 -2.009 1.00 52.25 C ATOM 1114 O PRO A 72 22.639 -28.695 -3.077 1.00 5.45 O ATOM 1115 CB PRO A 72 21.630 -28.538 -0.062 1.00 52.01 C ATOM 1116 CG PRO A 72 20.275 -28.386 -0.663 1.00 63.14 C ATOM 1117 CD PRO A 72 20.208 -26.976 -1.181 1.00 71.03 C ATOM 0 HA PRO A 72 23.354 -27.190 -0.361 1.00 20.51 H new ATOM 0 HB2 PRO A 72 21.959 -29.577 -0.085 1.00 52.01 H new ATOM 0 HB3 PRO A 72 21.638 -28.224 0.982 1.00 52.01 H new ATOM 0 HG2 PRO A 72 20.122 -29.105 -1.468 1.00 63.14 H new ATOM 0 HG3 PRO A 72 19.497 -28.567 0.078 1.00 63.14 H new ATOM 0 HD2 PRO A 72 19.593 -26.906 -2.078 1.00 71.03 H new ATOM 0 HD3 PRO A 72 19.777 -26.298 -0.445 1.00 71.03 H new ATOM 1125 N LYS A 73 24.432 -28.921 -1.737 1.00 30.43 N ATOM 1126 CA LYS A 73 25.185 -29.721 -2.695 1.00 63.23 C ATOM 1127 C LYS A 73 25.465 -28.926 -3.966 1.00 42.24 C ATOM 1128 O LYS A 73 25.644 -29.498 -5.041 1.00 62.33 O ATOM 1129 CB LYS A 73 24.417 -30.999 -3.039 1.00 62.34 C ATOM 1130 CG LYS A 73 23.852 -31.715 -1.825 1.00 11.12 C ATOM 1131 CD LYS A 73 23.220 -33.044 -2.204 1.00 44.23 C ATOM 1132 CE LYS A 73 24.252 -34.161 -2.242 1.00 2.32 C ATOM 1133 NZ LYS A 73 23.622 -35.490 -2.472 1.00 63.32 N ATOM 0 H LYS A 73 24.921 -28.744 -0.860 1.00 30.43 H new ATOM 0 HA LYS A 73 26.137 -29.989 -2.238 1.00 63.23 H new ATOM 0 HB2 LYS A 73 23.600 -30.751 -3.717 1.00 62.34 H new ATOM 0 HB3 LYS A 73 25.080 -31.678 -3.575 1.00 62.34 H new ATOM 0 HG2 LYS A 73 24.647 -31.883 -1.098 1.00 11.12 H new ATOM 0 HG3 LYS A 73 23.108 -31.082 -1.342 1.00 11.12 H new ATOM 0 HD2 LYS A 73 22.438 -33.294 -1.487 1.00 44.23 H new ATOM 0 HD3 LYS A 73 22.742 -32.956 -3.179 1.00 44.23 H new ATOM 0 HE2 LYS A 73 24.975 -33.960 -3.032 1.00 2.32 H new ATOM 0 HE3 LYS A 73 24.803 -34.178 -1.302 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 24.358 -36.224 -2.491 1.00 63.32 H new ATOM 0 HZ2 LYS A 73 22.950 -35.693 -1.705 1.00 63.32 H new ATOM 0 HZ3 LYS A 73 23.117 -35.482 -3.381 1.00 63.32 H new ATOM 1147 N SER A 74 25.503 -27.604 -3.836 1.00 12.44 N ATOM 1148 CA SER A 74 25.759 -26.730 -4.975 1.00 11.24 C ATOM 1149 C SER A 74 26.819 -25.687 -4.632 1.00 32.31 C ATOM 1150 O SER A 74 26.511 -24.509 -4.448 1.00 72.11 O ATOM 1151 CB SER A 74 24.468 -26.036 -5.412 1.00 54.05 C ATOM 1152 OG SER A 74 24.568 -25.566 -6.746 1.00 31.33 O ATOM 0 H SER A 74 25.360 -27.114 -2.953 1.00 12.44 H new ATOM 0 HA SER A 74 26.130 -27.343 -5.796 1.00 11.24 H new ATOM 0 HB2 SER A 74 23.632 -26.731 -5.330 1.00 54.05 H new ATOM 0 HB3 SER A 74 24.256 -25.201 -4.744 1.00 54.05 H new ATOM 0 HG SER A 74 23.672 -25.374 -7.093 1.00 31.33 H new ATOM 1158 N HIS A 75 28.069 -26.130 -4.548 1.00 4.45 N ATOM 1159 CA HIS A 75 29.177 -25.236 -4.227 1.00 54.45 C ATOM 1160 C HIS A 75 29.317 -24.145 -5.285 1.00 0.42 C ATOM 1161 O HIS A 75 29.270 -24.420 -6.484 1.00 45.21 O ATOM 1162 CB HIS A 75 30.481 -26.025 -4.116 1.00 43.10 C ATOM 1163 CG HIS A 75 31.490 -25.390 -3.209 1.00 31.01 C ATOM 1164 ND1 HIS A 75 31.153 -24.780 -2.019 1.00 42.20 N ATOM 1165 CD2 HIS A 75 32.834 -25.274 -3.322 1.00 73.23 C ATOM 1166 CE1 HIS A 75 32.246 -24.315 -1.441 1.00 10.43 C ATOM 1167 NE2 HIS A 75 33.280 -24.602 -2.211 1.00 73.00 N ATOM 0 H HIS A 75 28.341 -27.102 -4.697 1.00 4.45 H new ATOM 0 HA HIS A 75 28.965 -24.764 -3.268 1.00 54.45 H new ATOM 0 HB2 HIS A 75 30.259 -27.029 -3.753 1.00 43.10 H new ATOM 0 HB3 HIS A 75 30.916 -26.134 -5.110 1.00 43.10 H new ATOM 0 HD2 HIS A 75 33.442 -25.642 -4.135 1.00 73.23 H new ATOM 0 HE1 HIS A 75 32.287 -23.789 -0.499 1.00 10.43 H new ATOM 0 HE2 HIS A 75 34.252 -24.363 -2.013 1.00 73.00 H new ATOM 1175 N ILE A 76 29.488 -22.907 -4.832 1.00 30.20 N ATOM 1176 CA ILE A 76 29.635 -21.776 -5.739 1.00 42.11 C ATOM 1177 C ILE A 76 31.087 -21.315 -5.812 1.00 11.23 C ATOM 1178 O ILE A 76 31.438 -20.252 -5.299 1.00 53.33 O ATOM 1179 CB ILE A 76 28.753 -20.590 -5.308 1.00 14.22 C ATOM 1180 CG1 ILE A 76 27.302 -21.044 -5.128 1.00 45.23 C ATOM 1181 CG2 ILE A 76 28.839 -19.466 -6.330 1.00 30.12 C ATOM 1182 CD1 ILE A 76 26.993 -21.540 -3.733 1.00 52.32 C ATOM 0 H ILE A 76 29.528 -22.662 -3.843 1.00 30.20 H new ATOM 0 HA ILE A 76 29.314 -22.117 -6.723 1.00 42.11 H new ATOM 0 HB ILE A 76 29.118 -20.214 -4.352 1.00 14.22 H new ATOM 0 HG12 ILE A 76 26.638 -20.213 -5.365 1.00 45.23 H new ATOM 0 HG13 ILE A 76 27.087 -21.838 -5.843 1.00 45.23 H new ATOM 0 HG21 ILE A 76 28.210 -18.635 -6.011 1.00 30.12 H new ATOM 0 HG22 ILE A 76 29.872 -19.128 -6.413 1.00 30.12 H new ATOM 0 HG23 ILE A 76 28.497 -19.829 -7.299 1.00 30.12 H new ATOM 0 HD11 ILE A 76 25.948 -21.845 -3.678 1.00 52.32 H new ATOM 0 HD12 ILE A 76 27.632 -22.392 -3.500 1.00 52.32 H new ATOM 0 HD13 ILE A 76 27.176 -20.741 -3.014 1.00 52.32 H new ATOM 1194 N ASP A 77 31.926 -22.120 -6.453 1.00 23.41 N ATOM 1195 CA ASP A 77 33.340 -21.794 -6.596 1.00 24.12 C ATOM 1196 C ASP A 77 33.519 -20.391 -7.168 1.00 23.30 C ATOM 1197 O ASP A 77 34.393 -19.639 -6.735 1.00 73.13 O ATOM 1198 CB ASP A 77 34.034 -22.818 -7.496 1.00 54.12 C ATOM 1199 CG ASP A 77 34.325 -24.119 -6.775 1.00 62.34 C ATOM 1200 OD1 ASP A 77 34.860 -24.066 -5.648 1.00 55.12 O ATOM 1201 OD2 ASP A 77 34.020 -25.191 -7.339 1.00 31.41 O ATOM 0 H ASP A 77 31.652 -23.004 -6.882 1.00 23.41 H new ATOM 0 HA ASP A 77 33.796 -21.824 -5.606 1.00 24.12 H new ATOM 0 HB2 ASP A 77 33.406 -23.019 -8.364 1.00 54.12 H new ATOM 0 HB3 ASP A 77 34.967 -22.396 -7.869 1.00 54.12 H new ATOM 1206 N LYS A 78 32.687 -20.046 -8.144 1.00 50.42 N ATOM 1207 CA LYS A 78 32.752 -18.733 -8.777 1.00 32.52 C ATOM 1208 C LYS A 78 31.356 -18.228 -9.125 1.00 54.14 C ATOM 1209 O LYS A 78 30.657 -18.822 -9.947 1.00 4.35 O ATOM 1210 CB LYS A 78 33.613 -18.796 -10.040 1.00 44.41 C ATOM 1211 CG LYS A 78 35.079 -19.081 -9.763 1.00 43.41 C ATOM 1212 CD LYS A 78 35.756 -17.906 -9.076 1.00 35.44 C ATOM 1213 CE LYS A 78 37.269 -17.975 -9.215 1.00 54.21 C ATOM 1214 NZ LYS A 78 37.825 -19.221 -8.619 1.00 73.15 N ATOM 0 H LYS A 78 31.959 -20.657 -8.515 1.00 50.42 H new ATOM 0 HA LYS A 78 33.205 -18.038 -8.070 1.00 32.52 H new ATOM 0 HB2 LYS A 78 33.219 -19.569 -10.700 1.00 44.41 H new ATOM 0 HB3 LYS A 78 33.530 -17.849 -10.574 1.00 44.41 H new ATOM 0 HG2 LYS A 78 35.166 -19.969 -9.137 1.00 43.41 H new ATOM 0 HG3 LYS A 78 35.591 -19.300 -10.700 1.00 43.41 H new ATOM 0 HD2 LYS A 78 35.392 -16.973 -9.506 1.00 35.44 H new ATOM 0 HD3 LYS A 78 35.487 -17.896 -8.020 1.00 35.44 H new ATOM 0 HE2 LYS A 78 37.539 -17.925 -10.270 1.00 54.21 H new ATOM 0 HE3 LYS A 78 37.718 -17.109 -8.730 1.00 54.21 H new ATOM 0 HZ1 LYS A 78 38.863 -19.162 -8.596 1.00 73.15 H new ATOM 0 HZ2 LYS A 78 37.463 -19.334 -7.650 1.00 73.15 H new ATOM 0 HZ3 LYS A 78 37.537 -20.039 -9.193 1.00 73.15 H new ATOM 1228 N ALA A 79 30.956 -17.127 -8.497 1.00 33.32 N ATOM 1229 CA ALA A 79 29.644 -16.540 -8.744 1.00 25.44 C ATOM 1230 C ALA A 79 29.772 -15.155 -9.367 1.00 51.32 C ATOM 1231 O ALA A 79 30.083 -14.182 -8.682 1.00 2.32 O ATOM 1232 CB ALA A 79 28.847 -16.468 -7.450 1.00 12.21 C ATOM 0 H ALA A 79 31.521 -16.623 -7.814 1.00 33.32 H new ATOM 0 HA ALA A 79 29.113 -17.179 -9.450 1.00 25.44 H new ATOM 0 HB1 ALA A 79 27.870 -16.028 -7.649 1.00 12.21 H new ATOM 0 HB2 ALA A 79 28.717 -17.472 -7.046 1.00 12.21 H new ATOM 0 HB3 ALA A 79 29.382 -15.852 -6.727 1.00 12.21 H new ATOM 1238 N ASN A 80 29.530 -15.073 -10.671 1.00 73.25 N ATOM 1239 CA ASN A 80 29.619 -13.806 -11.388 1.00 12.02 C ATOM 1240 C ASN A 80 28.238 -13.337 -11.838 1.00 65.41 C ATOM 1241 O ASN A 80 27.289 -14.120 -11.882 1.00 10.14 O ATOM 1242 CB ASN A 80 30.543 -13.945 -12.599 1.00 51.13 C ATOM 1243 CG ASN A 80 31.194 -12.630 -12.984 1.00 31.33 C ATOM 1244 OD1 ASN A 80 31.924 -12.032 -12.194 1.00 25.34 O ATOM 1245 ND2 ASN A 80 30.931 -12.174 -14.203 1.00 34.13 N ATOM 0 H ASN A 80 29.271 -15.869 -11.253 1.00 73.25 H new ATOM 0 HA ASN A 80 30.032 -13.061 -10.708 1.00 12.02 H new ATOM 0 HB2 ASN A 80 31.317 -14.680 -12.379 1.00 51.13 H new ATOM 0 HB3 ASN A 80 29.973 -14.327 -13.446 1.00 51.13 H new ATOM 0 HD21 ASN A 80 31.340 -11.294 -14.518 1.00 34.13 H new ATOM 0 HD22 ASN A 80 30.320 -12.703 -14.825 1.00 34.13 H new ATOM 1252 N PHE A 81 28.135 -12.056 -12.173 1.00 10.51 N ATOM 1253 CA PHE A 81 26.871 -11.482 -12.620 1.00 10.22 C ATOM 1254 C PHE A 81 27.072 -10.629 -13.869 1.00 63.22 C ATOM 1255 O PHE A 81 28.162 -10.112 -14.112 1.00 12.05 O ATOM 1256 CB PHE A 81 26.248 -10.637 -11.507 1.00 3.53 C ATOM 1257 CG PHE A 81 27.213 -9.677 -10.872 1.00 4.52 C ATOM 1258 CD1 PHE A 81 27.532 -8.480 -11.494 1.00 73.34 C ATOM 1259 CD2 PHE A 81 27.802 -9.970 -9.652 1.00 71.13 C ATOM 1260 CE1 PHE A 81 28.420 -7.596 -10.913 1.00 0.34 C ATOM 1261 CE2 PHE A 81 28.691 -9.089 -9.065 1.00 73.04 C ATOM 1262 CZ PHE A 81 28.999 -7.900 -9.696 1.00 43.21 C ATOM 0 H PHE A 81 28.911 -11.395 -12.144 1.00 10.51 H new ATOM 0 HA PHE A 81 26.196 -12.302 -12.866 1.00 10.22 H new ATOM 0 HB2 PHE A 81 25.406 -10.077 -11.915 1.00 3.53 H new ATOM 0 HB3 PHE A 81 25.848 -11.299 -10.739 1.00 3.53 H new ATOM 0 HD1 PHE A 81 27.081 -8.236 -12.444 1.00 73.34 H new ATOM 0 HD2 PHE A 81 27.563 -10.898 -9.154 1.00 71.13 H new ATOM 0 HE1 PHE A 81 28.662 -6.668 -11.410 1.00 0.34 H new ATOM 0 HE2 PHE A 81 29.144 -9.330 -8.115 1.00 73.04 H new ATOM 0 HZ PHE A 81 29.691 -7.209 -9.239 1.00 43.21 H new ATOM 1272 N ASN A 82 26.013 -10.488 -14.659 1.00 73.42 N ATOM 1273 CA ASN A 82 26.072 -9.700 -15.885 1.00 5.14 C ATOM 1274 C ASN A 82 25.877 -8.216 -15.587 1.00 24.31 C ATOM 1275 O ASN A 82 25.657 -7.827 -14.441 1.00 40.30 O ATOM 1276 CB ASN A 82 25.008 -10.177 -16.875 1.00 44.01 C ATOM 1277 CG ASN A 82 25.428 -9.971 -18.318 1.00 31.42 C ATOM 1278 OD1 ASN A 82 26.615 -10.012 -18.643 1.00 14.24 O ATOM 1279 ND2 ASN A 82 24.453 -9.749 -19.191 1.00 73.14 N ATOM 0 H ASN A 82 25.103 -10.909 -14.472 1.00 73.42 H new ATOM 0 HA ASN A 82 27.058 -9.837 -16.329 1.00 5.14 H new ATOM 0 HB2 ASN A 82 24.806 -11.235 -16.706 1.00 44.01 H new ATOM 0 HB3 ASN A 82 24.077 -9.641 -16.690 1.00 44.01 H new ATOM 0 HD21 ASN A 82 24.674 -9.604 -20.176 1.00 73.14 H new ATOM 0 HD22 ASN A 82 23.483 -9.724 -18.877 1.00 73.14 H new ATOM 1286 N ASN A 83 25.960 -7.394 -16.628 1.00 14.34 N ATOM 1287 CA ASN A 83 25.792 -5.953 -16.478 1.00 1.31 C ATOM 1288 C ASN A 83 24.354 -5.608 -16.103 1.00 31.31 C ATOM 1289 O ASN A 83 23.520 -5.354 -16.971 1.00 70.33 O ATOM 1290 CB ASN A 83 26.179 -5.236 -17.773 1.00 72.12 C ATOM 1291 CG ASN A 83 26.647 -3.814 -17.530 1.00 21.42 C ATOM 1292 OD1 ASN A 83 26.383 -3.234 -16.477 1.00 54.40 O ATOM 1293 ND2 ASN A 83 27.347 -3.247 -18.506 1.00 14.25 N ATOM 0 H ASN A 83 26.142 -7.701 -17.584 1.00 14.34 H new ATOM 0 HA ASN A 83 26.448 -5.618 -15.675 1.00 1.31 H new ATOM 0 HB2 ASN A 83 26.970 -5.795 -18.272 1.00 72.12 H new ATOM 0 HB3 ASN A 83 25.323 -5.223 -18.448 1.00 72.12 H new ATOM 0 HD21 ASN A 83 27.690 -2.292 -18.400 1.00 14.25 H new ATOM 0 HD22 ASN A 83 27.542 -3.766 -19.362 1.00 14.25 H new ATOM 1300 N GLU A 84 24.072 -5.602 -14.804 1.00 2.43 N ATOM 1301 CA GLU A 84 22.735 -5.288 -14.314 1.00 73.53 C ATOM 1302 C GLU A 84 22.237 -3.969 -14.898 1.00 30.23 C ATOM 1303 O GLU A 84 22.982 -2.992 -14.978 1.00 73.12 O ATOM 1304 CB GLU A 84 22.731 -5.217 -12.786 1.00 14.31 C ATOM 1305 CG GLU A 84 21.411 -4.741 -12.202 1.00 74.55 C ATOM 1306 CD GLU A 84 21.468 -4.565 -10.698 1.00 11.44 C ATOM 1307 OE1 GLU A 84 21.445 -5.585 -9.978 1.00 62.14 O ATOM 1308 OE2 GLU A 84 21.536 -3.405 -10.239 1.00 54.23 O ATOM 0 H GLU A 84 24.751 -5.811 -14.072 1.00 2.43 H new ATOM 0 HA GLU A 84 22.062 -6.084 -14.635 1.00 73.53 H new ATOM 0 HB2 GLU A 84 22.962 -6.204 -12.384 1.00 14.31 H new ATOM 0 HB3 GLU A 84 23.526 -4.546 -12.460 1.00 14.31 H new ATOM 0 HG2 GLU A 84 21.134 -3.794 -12.665 1.00 74.55 H new ATOM 0 HG3 GLU A 84 20.629 -5.458 -12.451 1.00 74.55 H new ATOM 1315 N LYS A 85 20.972 -3.949 -15.304 1.00 42.24 N ATOM 1316 CA LYS A 85 20.372 -2.751 -15.880 1.00 63.01 C ATOM 1317 C LYS A 85 18.900 -2.641 -15.496 1.00 22.30 C ATOM 1318 O LYS A 85 18.253 -3.642 -15.186 1.00 1.55 O ATOM 1319 CB LYS A 85 20.513 -2.767 -17.404 1.00 31.21 C ATOM 1320 CG LYS A 85 20.146 -4.100 -18.034 1.00 44.44 C ATOM 1321 CD LYS A 85 20.270 -4.053 -19.548 1.00 51.01 C ATOM 1322 CE LYS A 85 19.046 -3.415 -20.188 1.00 4.02 C ATOM 1323 NZ LYS A 85 18.946 -3.738 -21.638 1.00 24.40 N ATOM 0 H LYS A 85 20.342 -4.749 -15.245 1.00 42.24 H new ATOM 0 HA LYS A 85 20.899 -1.884 -15.482 1.00 63.01 H new ATOM 0 HB2 LYS A 85 19.879 -1.988 -17.827 1.00 31.21 H new ATOM 0 HB3 LYS A 85 21.541 -2.520 -17.668 1.00 31.21 H new ATOM 0 HG2 LYS A 85 20.795 -4.881 -17.639 1.00 44.44 H new ATOM 0 HG3 LYS A 85 19.125 -4.365 -17.759 1.00 44.44 H new ATOM 0 HD2 LYS A 85 21.161 -3.490 -19.824 1.00 51.01 H new ATOM 0 HD3 LYS A 85 20.399 -5.064 -19.935 1.00 51.01 H new ATOM 0 HE2 LYS A 85 18.147 -3.760 -19.676 1.00 4.02 H new ATOM 0 HE3 LYS A 85 19.091 -2.334 -20.059 1.00 4.02 H new ATOM 0 HZ1 LYS A 85 18.099 -3.285 -22.037 1.00 24.40 H new ATOM 0 HZ2 LYS A 85 19.792 -3.387 -22.131 1.00 24.40 H new ATOM 0 HZ3 LYS A 85 18.877 -4.769 -21.760 1.00 24.40 H new ATOM 1337 N VAL A 86 18.376 -1.420 -15.520 1.00 43.14 N ATOM 1338 CA VAL A 86 16.980 -1.180 -15.177 1.00 74.12 C ATOM 1339 C VAL A 86 16.088 -1.269 -16.410 1.00 53.45 C ATOM 1340 O VAL A 86 16.522 -0.978 -17.525 1.00 43.53 O ATOM 1341 CB VAL A 86 16.792 0.200 -14.520 1.00 2.04 C ATOM 1342 CG1 VAL A 86 17.545 0.270 -13.200 1.00 22.52 C ATOM 1343 CG2 VAL A 86 17.247 1.305 -15.461 1.00 64.43 C ATOM 0 H VAL A 86 18.898 -0.581 -15.774 1.00 43.14 H new ATOM 0 HA VAL A 86 16.692 -1.955 -14.466 1.00 74.12 H new ATOM 0 HB VAL A 86 15.731 0.343 -14.314 1.00 2.04 H new ATOM 0 HG11 VAL A 86 17.401 1.252 -12.750 1.00 22.52 H new ATOM 0 HG12 VAL A 86 17.167 -0.497 -12.524 1.00 22.52 H new ATOM 0 HG13 VAL A 86 18.608 0.105 -13.378 1.00 22.52 H new ATOM 0 HG21 VAL A 86 17.107 2.273 -14.980 1.00 64.43 H new ATOM 0 HG22 VAL A 86 18.302 1.168 -15.700 1.00 64.43 H new ATOM 0 HG23 VAL A 86 16.659 1.267 -16.378 1.00 64.43 H new ATOM 1353 N ILE A 87 14.839 -1.672 -16.203 1.00 12.42 N ATOM 1354 CA ILE A 87 13.885 -1.797 -17.298 1.00 11.21 C ATOM 1355 C ILE A 87 12.479 -1.416 -16.848 1.00 54.21 C ATOM 1356 O ILE A 87 12.248 -1.126 -15.673 1.00 75.43 O ATOM 1357 CB ILE A 87 13.861 -3.229 -17.862 1.00 72.54 C ATOM 1358 CG1 ILE A 87 14.075 -4.247 -16.740 1.00 13.01 C ATOM 1359 CG2 ILE A 87 14.921 -3.392 -18.941 1.00 5.30 C ATOM 1360 CD1 ILE A 87 13.039 -4.161 -15.641 1.00 10.22 C ATOM 0 H ILE A 87 14.464 -1.918 -15.287 1.00 12.42 H new ATOM 0 HA ILE A 87 14.211 -1.112 -18.081 1.00 11.21 H new ATOM 0 HB ILE A 87 12.884 -3.410 -18.310 1.00 72.54 H new ATOM 0 HG12 ILE A 87 14.061 -5.251 -17.164 1.00 13.01 H new ATOM 0 HG13 ILE A 87 15.065 -4.097 -16.308 1.00 13.01 H new ATOM 0 HG21 ILE A 87 14.891 -4.410 -19.330 1.00 5.30 H new ATOM 0 HG22 ILE A 87 14.727 -2.689 -19.751 1.00 5.30 H new ATOM 0 HG23 ILE A 87 15.905 -3.194 -18.517 1.00 5.30 H new ATOM 0 HD11 ILE A 87 13.253 -4.911 -14.880 1.00 10.22 H new ATOM 0 HD12 ILE A 87 13.068 -3.169 -15.191 1.00 10.22 H new ATOM 0 HD13 ILE A 87 12.049 -4.341 -16.060 1.00 10.22 H new ATOM 1372 N LEU A 88 11.541 -1.419 -17.789 1.00 62.54 N ATOM 1373 CA LEU A 88 10.155 -1.076 -17.490 1.00 63.13 C ATOM 1374 C LEU A 88 9.598 -1.971 -16.388 1.00 62.21 C ATOM 1375 O LEU A 88 9.303 -1.508 -15.286 1.00 51.44 O ATOM 1376 CB LEU A 88 9.295 -1.202 -18.749 1.00 30.11 C ATOM 1377 CG LEU A 88 9.282 0.013 -19.677 1.00 71.23 C ATOM 1378 CD1 LEU A 88 10.577 0.092 -20.471 1.00 12.22 C ATOM 1379 CD2 LEU A 88 8.083 -0.044 -20.613 1.00 63.12 C ATOM 0 H LEU A 88 11.715 -1.655 -18.766 1.00 62.54 H new ATOM 0 HA LEU A 88 10.129 -0.044 -17.141 1.00 63.13 H new ATOM 0 HB2 LEU A 88 9.643 -2.065 -19.317 1.00 30.11 H new ATOM 0 HB3 LEU A 88 8.270 -1.413 -18.445 1.00 30.11 H new ATOM 0 HG LEU A 88 9.199 0.912 -19.066 1.00 71.23 H new ATOM 0 HD11 LEU A 88 10.550 0.963 -21.126 1.00 12.22 H new ATOM 0 HD12 LEU A 88 11.420 0.180 -19.785 1.00 12.22 H new ATOM 0 HD13 LEU A 88 10.691 -0.810 -21.072 1.00 12.22 H new ATOM 0 HD21 LEU A 88 8.090 0.828 -21.266 1.00 63.12 H new ATOM 0 HD22 LEU A 88 8.136 -0.950 -21.217 1.00 63.12 H new ATOM 0 HD23 LEU A 88 7.164 -0.051 -20.027 1.00 63.12 H new ATOM 1391 N LYS A 89 9.459 -3.257 -16.691 1.00 73.34 N ATOM 1392 CA LYS A 89 8.941 -4.220 -15.726 1.00 54.34 C ATOM 1393 C LYS A 89 9.378 -5.637 -16.083 1.00 4.24 C ATOM 1394 O LYS A 89 10.133 -5.844 -17.034 1.00 1.21 O ATOM 1395 CB LYS A 89 7.413 -4.145 -15.671 1.00 21.34 C ATOM 1396 CG LYS A 89 6.750 -4.221 -17.035 1.00 62.41 C ATOM 1397 CD LYS A 89 5.238 -4.318 -16.916 1.00 45.41 C ATOM 1398 CE LYS A 89 4.601 -2.943 -16.790 1.00 54.54 C ATOM 1399 NZ LYS A 89 3.205 -2.929 -17.308 1.00 75.22 N ATOM 0 H LYS A 89 9.698 -3.657 -17.598 1.00 73.34 H new ATOM 0 HA LYS A 89 9.347 -3.970 -14.746 1.00 54.34 H new ATOM 0 HB2 LYS A 89 7.040 -4.959 -15.049 1.00 21.34 H new ATOM 0 HB3 LYS A 89 7.121 -3.214 -15.186 1.00 21.34 H new ATOM 0 HG2 LYS A 89 7.014 -3.339 -17.618 1.00 62.41 H new ATOM 0 HG3 LYS A 89 7.129 -5.087 -17.577 1.00 62.41 H new ATOM 0 HD2 LYS A 89 4.835 -4.828 -17.791 1.00 45.41 H new ATOM 0 HD3 LYS A 89 4.978 -4.922 -16.047 1.00 45.41 H new ATOM 0 HE2 LYS A 89 4.603 -2.636 -15.744 1.00 54.54 H new ATOM 0 HE3 LYS A 89 5.199 -2.214 -17.337 1.00 54.54 H new ATOM 0 HZ1 LYS A 89 2.806 -1.974 -17.204 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 3.205 -3.197 -18.313 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 2.628 -3.606 -16.769 1.00 75.22 H new ATOM 1413 N LEU A 90 8.900 -6.609 -15.315 1.00 33.52 N ATOM 1414 CA LEU A 90 9.241 -8.008 -15.551 1.00 34.25 C ATOM 1415 C LEU A 90 8.737 -8.469 -16.915 1.00 32.05 C ATOM 1416 O LEU A 90 7.961 -7.772 -17.569 1.00 1.02 O ATOM 1417 CB LEU A 90 8.648 -8.890 -14.450 1.00 73.45 C ATOM 1418 CG LEU A 90 9.043 -8.533 -13.017 1.00 52.43 C ATOM 1419 CD1 LEU A 90 8.421 -9.511 -12.032 1.00 44.43 C ATOM 1420 CD2 LEU A 90 10.557 -8.515 -12.870 1.00 43.33 C ATOM 0 H LEU A 90 8.275 -6.455 -14.524 1.00 33.52 H new ATOM 0 HA LEU A 90 10.327 -8.100 -15.536 1.00 34.25 H new ATOM 0 HB2 LEU A 90 7.561 -8.850 -14.526 1.00 73.45 H new ATOM 0 HB3 LEU A 90 8.943 -9.922 -14.640 1.00 73.45 H new ATOM 0 HG LEU A 90 8.665 -7.535 -12.794 1.00 52.43 H new ATOM 0 HD11 LEU A 90 8.713 -9.241 -11.017 1.00 44.43 H new ATOM 0 HD12 LEU A 90 7.335 -9.474 -12.119 1.00 44.43 H new ATOM 0 HD13 LEU A 90 8.768 -10.520 -12.253 1.00 44.43 H new ATOM 0 HD21 LEU A 90 10.820 -8.259 -11.844 1.00 43.33 H new ATOM 0 HD22 LEU A 90 10.958 -9.499 -13.113 1.00 43.33 H new ATOM 0 HD23 LEU A 90 10.980 -7.774 -13.548 1.00 43.33 H new ATOM 1432 N ASP A 91 9.181 -9.648 -17.336 1.00 42.20 N ATOM 1433 CA ASP A 91 8.773 -10.204 -18.621 1.00 10.11 C ATOM 1434 C ASP A 91 7.911 -11.447 -18.426 1.00 30.34 C ATOM 1435 O ASP A 91 7.088 -11.785 -19.277 1.00 44.23 O ATOM 1436 CB ASP A 91 10.001 -10.547 -19.466 1.00 10.04 C ATOM 1437 CG ASP A 91 9.642 -11.306 -20.728 1.00 12.30 C ATOM 1438 OD1 ASP A 91 9.108 -10.677 -21.666 1.00 23.32 O ATOM 1439 OD2 ASP A 91 9.893 -12.528 -20.778 1.00 22.22 O ATOM 0 H ASP A 91 9.823 -10.237 -16.806 1.00 42.20 H new ATOM 0 HA ASP A 91 8.182 -9.452 -19.143 1.00 10.11 H new ATOM 0 HB2 ASP A 91 10.522 -9.628 -19.734 1.00 10.04 H new ATOM 0 HB3 ASP A 91 10.693 -11.144 -18.871 1.00 10.04 H new ATOM 1444 N TYR A 92 8.106 -12.125 -17.300 1.00 11.01 N ATOM 1445 CA TYR A 92 7.349 -13.333 -16.994 1.00 70.24 C ATOM 1446 C TYR A 92 6.571 -13.174 -15.692 1.00 2.14 C ATOM 1447 O TYR A 92 7.009 -12.478 -14.776 1.00 15.35 O ATOM 1448 CB TYR A 92 8.287 -14.537 -16.897 1.00 64.22 C ATOM 1449 CG TYR A 92 8.501 -15.246 -18.215 1.00 71.53 C ATOM 1450 CD1 TYR A 92 7.553 -16.132 -18.712 1.00 55.21 C ATOM 1451 CD2 TYR A 92 9.651 -15.030 -18.964 1.00 61.24 C ATOM 1452 CE1 TYR A 92 7.744 -16.783 -19.916 1.00 0.55 C ATOM 1453 CE2 TYR A 92 9.850 -15.675 -20.170 1.00 23.43 C ATOM 1454 CZ TYR A 92 8.894 -16.551 -20.641 1.00 2.13 C ATOM 1455 OH TYR A 92 9.088 -17.196 -21.841 1.00 20.14 O ATOM 0 H TYR A 92 8.782 -11.858 -16.584 1.00 11.01 H new ATOM 0 HA TYR A 92 6.637 -13.499 -17.803 1.00 70.24 H new ATOM 0 HB2 TYR A 92 9.251 -14.206 -16.512 1.00 64.22 H new ATOM 0 HB3 TYR A 92 7.882 -15.245 -16.175 1.00 64.22 H new ATOM 0 HD1 TYR A 92 6.651 -16.315 -18.147 1.00 55.21 H new ATOM 0 HD2 TYR A 92 10.402 -14.346 -18.598 1.00 61.24 H new ATOM 0 HE1 TYR A 92 6.997 -17.469 -20.287 1.00 0.55 H new ATOM 0 HE2 TYR A 92 10.749 -15.494 -20.741 1.00 23.43 H new ATOM 0 HH TYR A 92 9.947 -16.921 -22.225 1.00 20.14 H new ATOM 1465 N SER A 93 5.415 -13.825 -15.617 1.00 20.41 N ATOM 1466 CA SER A 93 4.573 -13.755 -14.428 1.00 42.23 C ATOM 1467 C SER A 93 4.594 -15.077 -13.668 1.00 61.54 C ATOM 1468 O SER A 93 3.589 -15.489 -13.089 1.00 31.11 O ATOM 1469 CB SER A 93 3.137 -13.399 -14.816 1.00 15.35 C ATOM 1470 OG SER A 93 3.053 -12.069 -15.298 1.00 62.04 O ATOM 0 H SER A 93 5.040 -14.407 -16.366 1.00 20.41 H new ATOM 0 HA SER A 93 4.970 -12.976 -13.777 1.00 42.23 H new ATOM 0 HB2 SER A 93 2.782 -14.089 -15.581 1.00 15.35 H new ATOM 0 HB3 SER A 93 2.484 -13.518 -13.952 1.00 15.35 H new ATOM 0 HG SER A 93 2.125 -11.867 -15.541 1.00 62.04 H new ATOM 1476 N ASP A 94 5.746 -15.738 -13.676 1.00 24.42 N ATOM 1477 CA ASP A 94 5.900 -17.014 -12.987 1.00 24.42 C ATOM 1478 C ASP A 94 7.354 -17.475 -13.015 1.00 24.12 C ATOM 1479 O ASP A 94 8.168 -16.951 -13.776 1.00 1.02 O ATOM 1480 CB ASP A 94 5.004 -18.075 -13.627 1.00 31.41 C ATOM 1481 CG ASP A 94 4.892 -19.327 -12.779 1.00 23.30 C ATOM 1482 OD1 ASP A 94 4.353 -19.237 -11.657 1.00 33.03 O ATOM 1483 OD2 ASP A 94 5.346 -20.397 -13.237 1.00 75.14 O ATOM 0 H ASP A 94 6.587 -15.412 -14.152 1.00 24.42 H new ATOM 0 HA ASP A 94 5.601 -16.876 -11.948 1.00 24.42 H new ATOM 0 HB2 ASP A 94 4.010 -17.658 -13.787 1.00 31.41 H new ATOM 0 HB3 ASP A 94 5.401 -18.338 -14.607 1.00 31.41 H new ATOM 1488 N PHE A 95 7.675 -18.458 -12.179 1.00 53.34 N ATOM 1489 CA PHE A 95 9.031 -18.988 -12.107 1.00 2.22 C ATOM 1490 C PHE A 95 9.055 -20.473 -12.458 1.00 15.40 C ATOM 1491 O PHE A 95 8.227 -21.247 -11.978 1.00 5.14 O ATOM 1492 CB PHE A 95 9.611 -18.774 -10.707 1.00 33.11 C ATOM 1493 CG PHE A 95 8.669 -19.161 -9.603 1.00 13.32 C ATOM 1494 CD1 PHE A 95 7.777 -18.238 -9.080 1.00 3.30 C ATOM 1495 CD2 PHE A 95 8.674 -20.447 -9.088 1.00 62.00 C ATOM 1496 CE1 PHE A 95 6.910 -18.591 -8.063 1.00 40.34 C ATOM 1497 CE2 PHE A 95 7.809 -20.806 -8.072 1.00 11.03 C ATOM 1498 CZ PHE A 95 6.925 -19.877 -7.559 1.00 50.35 C ATOM 0 H PHE A 95 7.014 -18.903 -11.542 1.00 53.34 H new ATOM 0 HA PHE A 95 9.643 -18.452 -12.833 1.00 2.22 H new ATOM 0 HB2 PHE A 95 10.529 -19.353 -10.610 1.00 33.11 H new ATOM 0 HB3 PHE A 95 9.882 -17.725 -10.591 1.00 33.11 H new ATOM 0 HD1 PHE A 95 7.759 -17.232 -9.472 1.00 3.30 H new ATOM 0 HD2 PHE A 95 9.362 -21.178 -9.486 1.00 62.00 H new ATOM 0 HE1 PHE A 95 6.221 -17.862 -7.663 1.00 40.34 H new ATOM 0 HE2 PHE A 95 7.824 -21.812 -7.679 1.00 11.03 H new ATOM 0 HZ PHE A 95 6.247 -20.155 -6.766 1.00 50.35 H new ATOM 1508 N GLN A 96 10.008 -20.861 -13.299 1.00 55.43 N ATOM 1509 CA GLN A 96 10.138 -22.252 -13.716 1.00 12.20 C ATOM 1510 C GLN A 96 11.557 -22.548 -14.189 1.00 42.30 C ATOM 1511 O GLN A 96 12.417 -21.667 -14.191 1.00 4.51 O ATOM 1512 CB GLN A 96 9.140 -22.568 -14.831 1.00 54.11 C ATOM 1513 CG GLN A 96 7.763 -22.964 -14.321 1.00 64.43 C ATOM 1514 CD GLN A 96 6.881 -23.540 -15.411 1.00 52.23 C ATOM 1515 OE1 GLN A 96 7.044 -23.223 -16.590 1.00 31.10 O ATOM 1516 NE2 GLN A 96 5.939 -24.391 -15.023 1.00 15.03 N ATOM 0 H GLN A 96 10.701 -20.232 -13.705 1.00 55.43 H new ATOM 0 HA GLN A 96 9.922 -22.885 -12.855 1.00 12.20 H new ATOM 0 HB2 GLN A 96 9.042 -21.696 -15.477 1.00 54.11 H new ATOM 0 HB3 GLN A 96 9.537 -23.376 -15.445 1.00 54.11 H new ATOM 0 HG2 GLN A 96 7.873 -23.697 -13.522 1.00 64.43 H new ATOM 0 HG3 GLN A 96 7.275 -22.091 -13.888 1.00 64.43 H new ATOM 0 HE21 GLN A 96 5.839 -24.626 -14.035 1.00 15.03 H new ATOM 0 HE22 GLN A 96 5.315 -24.810 -15.712 1.00 15.03 H new ATOM 1525 N ILE A 97 11.795 -23.792 -14.589 1.00 31.42 N ATOM 1526 CA ILE A 97 13.110 -24.203 -15.065 1.00 31.44 C ATOM 1527 C ILE A 97 13.045 -24.687 -16.509 1.00 63.42 C ATOM 1528 O ILE A 97 12.414 -25.701 -16.808 1.00 24.51 O ATOM 1529 CB ILE A 97 13.702 -25.321 -14.186 1.00 62.44 C ATOM 1530 CG1 ILE A 97 13.704 -24.898 -12.716 1.00 41.11 C ATOM 1531 CG2 ILE A 97 15.111 -25.666 -14.646 1.00 1.50 C ATOM 1532 CD1 ILE A 97 14.080 -26.014 -11.766 1.00 55.14 C ATOM 0 H ILE A 97 11.094 -24.533 -14.593 1.00 31.42 H new ATOM 0 HA ILE A 97 13.755 -23.326 -15.007 1.00 31.44 H new ATOM 0 HB ILE A 97 13.080 -26.210 -14.287 1.00 62.44 H new ATOM 0 HG12 ILE A 97 14.401 -24.070 -12.586 1.00 41.11 H new ATOM 0 HG13 ILE A 97 12.714 -24.525 -12.452 1.00 41.11 H new ATOM 0 HG21 ILE A 97 15.516 -26.457 -14.015 1.00 1.50 H new ATOM 0 HG22 ILE A 97 15.083 -26.006 -15.681 1.00 1.50 H new ATOM 0 HG23 ILE A 97 15.745 -24.782 -14.571 1.00 1.50 H new ATOM 0 HD11 ILE A 97 14.061 -25.642 -10.742 1.00 55.14 H new ATOM 0 HD12 ILE A 97 13.369 -26.834 -11.868 1.00 55.14 H new ATOM 0 HD13 ILE A 97 15.082 -26.372 -12.003 1.00 55.14 H new ATOM 1544 N VAL A 98 13.704 -23.956 -17.403 1.00 31.03 N ATOM 1545 CA VAL A 98 13.724 -24.312 -18.816 1.00 41.14 C ATOM 1546 C VAL A 98 14.402 -25.660 -19.034 1.00 75.30 C ATOM 1547 O VAL A 98 15.473 -25.925 -18.488 1.00 32.00 O ATOM 1548 CB VAL A 98 14.452 -23.243 -19.654 1.00 35.31 C ATOM 1549 CG1 VAL A 98 14.474 -23.639 -21.122 1.00 74.23 C ATOM 1550 CG2 VAL A 98 13.794 -21.884 -19.470 1.00 10.05 C ATOM 0 H VAL A 98 14.231 -23.114 -17.173 1.00 31.03 H new ATOM 0 HA VAL A 98 12.685 -24.374 -19.141 1.00 41.14 H new ATOM 0 HB VAL A 98 15.483 -23.173 -19.306 1.00 35.31 H new ATOM 0 HG11 VAL A 98 14.992 -22.872 -21.698 1.00 74.23 H new ATOM 0 HG12 VAL A 98 14.994 -24.590 -21.234 1.00 74.23 H new ATOM 0 HG13 VAL A 98 13.452 -23.739 -21.487 1.00 74.23 H new ATOM 0 HG21 VAL A 98 14.321 -21.141 -20.069 1.00 10.05 H new ATOM 0 HG22 VAL A 98 12.754 -21.937 -19.790 1.00 10.05 H new ATOM 0 HG23 VAL A 98 13.836 -21.599 -18.419 1.00 10.05 H new ATOM 1560 N LYS A 99 13.770 -26.511 -19.836 1.00 41.32 N ATOM 1561 CA LYS A 99 14.311 -27.833 -20.129 1.00 44.50 C ATOM 1562 C LYS A 99 15.480 -27.738 -21.104 1.00 45.02 C ATOM 1563 O LYS A 99 16.321 -28.636 -21.170 1.00 53.40 O ATOM 1564 CB LYS A 99 13.221 -28.736 -20.710 1.00 11.33 C ATOM 1565 CG LYS A 99 13.746 -30.058 -21.242 1.00 52.33 C ATOM 1566 CD LYS A 99 12.620 -30.937 -21.759 1.00 73.23 C ATOM 1567 CE LYS A 99 13.099 -31.862 -22.867 1.00 71.44 C ATOM 1568 NZ LYS A 99 12.035 -32.812 -23.296 1.00 51.22 N ATOM 0 H LYS A 99 12.882 -26.308 -20.295 1.00 41.32 H new ATOM 0 HA LYS A 99 14.673 -28.265 -19.196 1.00 44.50 H new ATOM 0 HB2 LYS A 99 12.476 -28.934 -19.939 1.00 11.33 H new ATOM 0 HB3 LYS A 99 12.713 -28.206 -21.516 1.00 11.33 H new ATOM 0 HG2 LYS A 99 14.460 -29.871 -22.044 1.00 52.33 H new ATOM 0 HG3 LYS A 99 14.284 -30.581 -20.452 1.00 52.33 H new ATOM 0 HD2 LYS A 99 12.214 -31.529 -20.939 1.00 73.23 H new ATOM 0 HD3 LYS A 99 11.810 -30.310 -22.132 1.00 73.23 H new ATOM 0 HE2 LYS A 99 13.421 -31.268 -23.722 1.00 71.44 H new ATOM 0 HE3 LYS A 99 13.968 -32.422 -22.522 1.00 71.44 H new ATOM 0 HZ1 LYS A 99 12.401 -33.425 -24.052 1.00 51.22 H new ATOM 0 HZ2 LYS A 99 11.745 -33.397 -22.486 1.00 51.22 H new ATOM 0 HZ3 LYS A 99 11.215 -32.279 -23.649 1.00 51.22 H new TER 1582 LYS A 99