USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= 0 K(o=0.82,f=-0.0054) USER MOD Set 1.2: A 108 GLN : amide:sc= 0.444 K(o=0.82,f=-0.72) USER MOD Set 1.3: A 111 SER OG : rot -132:sc= 0.377 USER MOD Set 2.1: A 29 TYR OH : rot 169:sc= 1.15 USER MOD Set 2.2: A 97 THR OG1 : rot 46:sc= 0.236 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.111 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 0.0116 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.436 K(o=-0.44,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-8.3!) USER MOD Single : A 38 SER OG : rot 83:sc=0.000523 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -26:sc= 1.96 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.328 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 67 SER OG : rot 86:sc= 1.33 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 160:sc= 0.709 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 80 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.259 USER MOD Single : A 89 HIS : no HD1:sc= -0.216 K(o=0.52,f=-4!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=0.98) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc=-0.00265 X(o=-0.0027,f=-0.15) USER MOD Single : A 110 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0221) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.23) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.42) USER MOD Single : A 125 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.33) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.85) USER MOD Single : A 129 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot -40:sc= -0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.495 -1.598 -7.459 1.00 13.00 N ATOM 2 CA GLY A 2 -1.601 -1.796 -8.892 1.00 45.03 C ATOM 3 C GLY A 2 -0.566 -1.003 -9.665 1.00 23.44 C ATOM 4 O GLY A 2 -0.596 0.227 -9.675 1.00 12.22 O ATOM 0 HA2 GLY A 2 -1.486 -2.856 -9.119 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -2.598 -1.506 -9.223 1.00 45.03 H new ATOM 8 N ALA A 3 0.356 -1.709 -10.312 1.00 40.04 N ATOM 9 CA ALA A 3 1.406 -1.064 -11.091 1.00 14.42 C ATOM 10 C ALA A 3 2.165 -0.044 -10.250 1.00 11.33 C ATOM 11 O ALA A 3 2.601 0.990 -10.755 1.00 41.51 O ATOM 12 CB ALA A 3 0.813 -0.397 -12.324 1.00 22.22 C ATOM 0 H ALA A 3 0.397 -2.728 -10.312 1.00 40.04 H new ATOM 0 HA ALA A 3 2.112 -1.831 -11.409 1.00 14.42 H new ATOM 0 HB1 ALA A 3 1.608 0.081 -12.897 1.00 22.22 H new ATOM 0 HB2 ALA A 3 0.321 -1.148 -12.942 1.00 22.22 H new ATOM 0 HB3 ALA A 3 0.085 0.354 -12.017 1.00 22.22 H new ATOM 18 N ARG A 4 2.318 -0.342 -8.963 1.00 41.40 N ATOM 19 CA ARG A 4 3.023 0.551 -8.052 1.00 1.24 C ATOM 20 C ARG A 4 4.226 -0.149 -7.427 1.00 23.31 C ATOM 21 O ARG A 4 5.316 0.417 -7.349 1.00 52.43 O ATOM 22 CB ARG A 4 2.079 1.043 -6.954 1.00 32.43 C ATOM 23 CG ARG A 4 2.714 2.053 -6.011 1.00 72.11 C ATOM 24 CD ARG A 4 2.561 3.473 -6.532 1.00 23.23 C ATOM 25 NE ARG A 4 2.849 4.467 -5.502 1.00 53.21 N ATOM 26 CZ ARG A 4 4.076 4.768 -5.093 1.00 14.30 C ATOM 27 NH1 ARG A 4 5.124 4.155 -5.624 1.00 44.11 N1+ ATOM 28 NH2 ARG A 4 4.257 5.685 -4.150 1.00 44.04 N ATOM 0 H ARG A 4 1.963 -1.194 -8.529 1.00 41.40 H new ATOM 0 HA ARG A 4 3.380 1.407 -8.626 1.00 1.24 H new ATOM 0 HB2 ARG A 4 1.201 1.493 -7.417 1.00 32.43 H new ATOM 0 HB3 ARG A 4 1.731 0.187 -6.375 1.00 32.43 H new ATOM 0 HG2 ARG A 4 2.253 1.974 -5.027 1.00 72.11 H new ATOM 0 HG3 ARG A 4 3.772 1.822 -5.887 1.00 72.11 H new ATOM 0 HD2 ARG A 4 3.231 3.623 -7.378 1.00 23.23 H new ATOM 0 HD3 ARG A 4 1.545 3.617 -6.901 1.00 23.23 H new ATOM 0 HE ARG A 4 2.064 4.957 -5.073 1.00 53.21 H new ATOM 0 HH11 ARG A 4 4.989 3.450 -6.349 1.00 44.11 H new ATOM 0 HH12 ARG A 4 6.065 4.388 -5.308 1.00 44.11 H new ATOM 0 HH21 ARG A 4 3.453 6.159 -3.739 1.00 44.04 H new ATOM 0 HH22 ARG A 4 5.200 5.915 -3.837 1.00 44.04 H new ATOM 42 N ALA A 5 4.020 -1.384 -6.982 1.00 22.52 N ATOM 43 CA ALA A 5 5.087 -2.163 -6.365 1.00 44.44 C ATOM 44 C ALA A 5 5.732 -3.106 -7.375 1.00 20.53 C ATOM 45 O ALA A 5 5.207 -4.183 -7.656 1.00 64.14 O ATOM 46 CB ALA A 5 4.550 -2.946 -5.177 1.00 63.52 C ATOM 0 H ALA A 5 3.123 -1.867 -7.037 1.00 22.52 H new ATOM 0 HA ALA A 5 5.852 -1.471 -6.013 1.00 44.44 H new ATOM 0 HB1 ALA A 5 5.358 -3.523 -4.726 1.00 63.52 H new ATOM 0 HB2 ALA A 5 4.143 -2.254 -4.440 1.00 63.52 H new ATOM 0 HB3 ALA A 5 3.764 -3.623 -5.513 1.00 63.52 H new ATOM 52 N SER A 6 6.874 -2.694 -7.917 1.00 30.13 N ATOM 53 CA SER A 6 7.589 -3.500 -8.900 1.00 32.52 C ATOM 54 C SER A 6 8.489 -4.522 -8.212 1.00 63.33 C ATOM 55 O SER A 6 8.873 -4.350 -7.055 1.00 61.24 O ATOM 56 CB SER A 6 8.424 -2.604 -9.817 1.00 33.02 C ATOM 57 OG SER A 6 7.777 -1.363 -10.042 1.00 61.12 O ATOM 0 H SER A 6 7.324 -1.807 -7.692 1.00 30.13 H new ATOM 0 HA SER A 6 6.852 -4.035 -9.500 1.00 32.52 H new ATOM 0 HB2 SER A 6 9.403 -2.432 -9.370 1.00 33.02 H new ATOM 0 HB3 SER A 6 8.592 -3.108 -10.769 1.00 33.02 H new ATOM 0 HG SER A 6 8.331 -0.807 -10.629 1.00 61.12 H new ATOM 63 N VAL A 7 8.822 -5.588 -8.933 1.00 62.44 N ATOM 64 CA VAL A 7 9.678 -6.639 -8.394 1.00 41.13 C ATOM 65 C VAL A 7 11.087 -6.548 -8.969 1.00 24.10 C ATOM 66 O VAL A 7 12.033 -6.191 -8.266 1.00 3.31 O ATOM 67 CB VAL A 7 9.104 -8.037 -8.690 1.00 73.15 C ATOM 68 CG1 VAL A 7 9.973 -9.115 -8.062 1.00 41.03 C ATOM 69 CG2 VAL A 7 7.670 -8.139 -8.194 1.00 34.21 C ATOM 0 H VAL A 7 8.512 -5.747 -9.892 1.00 62.44 H new ATOM 0 HA VAL A 7 9.719 -6.492 -7.315 1.00 41.13 H new ATOM 0 HB VAL A 7 9.102 -8.190 -9.769 1.00 73.15 H new ATOM 0 HG11 VAL A 7 9.552 -10.096 -8.282 1.00 41.03 H new ATOM 0 HG12 VAL A 7 10.982 -9.053 -8.471 1.00 41.03 H new ATOM 0 HG13 VAL A 7 10.010 -8.970 -6.982 1.00 41.03 H new ATOM 0 HG21 VAL A 7 7.280 -9.133 -8.411 1.00 34.21 H new ATOM 0 HG22 VAL A 7 7.644 -7.966 -7.118 1.00 34.21 H new ATOM 0 HG23 VAL A 7 7.057 -7.391 -8.697 1.00 34.21 H new ATOM 79 N LEU A 8 11.220 -6.873 -10.250 1.00 14.22 N ATOM 80 CA LEU A 8 12.514 -6.827 -10.921 1.00 2.12 C ATOM 81 C LEU A 8 12.741 -5.469 -11.576 1.00 63.12 C ATOM 82 O LEU A 8 11.909 -4.996 -12.350 1.00 52.12 O ATOM 83 CB LEU A 8 12.607 -7.935 -11.971 1.00 75.32 C ATOM 84 CG LEU A 8 12.521 -9.369 -11.444 1.00 12.31 C ATOM 85 CD1 LEU A 8 12.562 -10.364 -12.594 1.00 51.41 C ATOM 86 CD2 LEU A 8 13.648 -9.642 -10.458 1.00 64.15 C ATOM 0 H LEU A 8 10.447 -7.171 -10.845 1.00 14.22 H new ATOM 0 HA LEU A 8 13.289 -6.981 -10.170 1.00 2.12 H new ATOM 0 HB2 LEU A 8 11.808 -7.788 -12.697 1.00 75.32 H new ATOM 0 HB3 LEU A 8 13.549 -7.822 -12.507 1.00 75.32 H new ATOM 0 HG LEU A 8 11.572 -9.489 -10.922 1.00 12.31 H new ATOM 0 HD11 LEU A 8 12.500 -11.378 -12.200 1.00 51.41 H new ATOM 0 HD12 LEU A 8 11.721 -10.182 -13.263 1.00 51.41 H new ATOM 0 HD13 LEU A 8 13.495 -10.245 -13.145 1.00 51.41 H new ATOM 0 HD21 LEU A 8 13.572 -10.666 -10.093 1.00 64.15 H new ATOM 0 HD22 LEU A 8 14.608 -9.504 -10.956 1.00 64.15 H new ATOM 0 HD23 LEU A 8 13.572 -8.951 -9.618 1.00 64.15 H new ATOM 98 N SER A 9 13.873 -4.848 -11.264 1.00 3.25 N ATOM 99 CA SER A 9 14.210 -3.543 -11.823 1.00 33.13 C ATOM 100 C SER A 9 14.576 -3.662 -13.299 1.00 13.41 C ATOM 101 O SER A 9 14.454 -4.730 -13.896 1.00 40.31 O ATOM 102 CB SER A 9 15.369 -2.916 -11.046 1.00 23.20 C ATOM 103 OG SER A 9 16.618 -3.330 -11.572 1.00 13.12 O ATOM 0 H SER A 9 14.573 -5.227 -10.627 1.00 3.25 H new ATOM 0 HA SER A 9 13.334 -2.900 -11.735 1.00 33.13 H new ATOM 0 HB2 SER A 9 15.295 -1.829 -11.090 1.00 23.20 H new ATOM 0 HB3 SER A 9 15.302 -3.198 -9.995 1.00 23.20 H new ATOM 0 HG SER A 9 17.343 -2.914 -11.060 1.00 13.12 H new ATOM 109 N GLY A 10 15.027 -2.554 -13.881 1.00 72.53 N ATOM 110 CA GLY A 10 15.404 -2.554 -15.282 1.00 22.23 C ATOM 111 C GLY A 10 16.460 -3.595 -15.597 1.00 64.55 C ATOM 112 O GLY A 10 16.301 -4.388 -16.526 1.00 21.14 O ATOM 0 H GLY A 10 15.138 -1.658 -13.407 1.00 72.53 H new ATOM 0 HA2 GLY A 10 14.521 -2.740 -15.893 1.00 22.23 H new ATOM 0 HA3 GLY A 10 15.778 -1.567 -15.555 1.00 22.23 H new ATOM 116 N GLY A 11 17.542 -3.593 -14.825 1.00 42.20 N ATOM 117 CA GLY A 11 18.612 -4.548 -15.045 1.00 41.20 C ATOM 118 C GLY A 11 18.176 -5.978 -14.793 1.00 52.30 C ATOM 119 O GLY A 11 18.495 -6.877 -15.568 1.00 45.03 O ATOM 0 H GLY A 11 17.697 -2.947 -14.051 1.00 42.20 H new ATOM 0 HA2 GLY A 11 18.971 -4.457 -16.070 1.00 41.20 H new ATOM 0 HA3 GLY A 11 19.450 -4.307 -14.391 1.00 41.20 H new ATOM 123 N GLU A 12 17.444 -6.187 -13.703 1.00 12.11 N ATOM 124 CA GLU A 12 16.965 -7.518 -13.349 1.00 62.15 C ATOM 125 C GLU A 12 15.988 -8.042 -14.398 1.00 41.32 C ATOM 126 O GLU A 12 15.929 -9.243 -14.663 1.00 72.10 O ATOM 127 CB GLU A 12 16.291 -7.494 -11.975 1.00 41.45 C ATOM 128 CG GLU A 12 17.095 -6.761 -10.915 1.00 50.12 C ATOM 129 CD GLU A 12 16.517 -6.929 -9.524 1.00 61.21 C ATOM 130 OE1 GLU A 12 15.486 -6.289 -9.229 1.00 42.12 O ATOM 131 OE2 GLU A 12 17.095 -7.700 -8.730 1.00 63.52 O1- ATOM 0 H GLU A 12 17.170 -5.452 -13.051 1.00 12.11 H new ATOM 0 HA GLU A 12 17.825 -8.187 -13.312 1.00 62.15 H new ATOM 0 HB2 GLU A 12 15.313 -7.022 -12.068 1.00 41.45 H new ATOM 0 HB3 GLU A 12 16.121 -8.519 -11.645 1.00 41.45 H new ATOM 0 HG2 GLU A 12 18.121 -7.128 -10.925 1.00 50.12 H new ATOM 0 HG3 GLU A 12 17.133 -5.700 -11.163 1.00 50.12 H new ATOM 138 N LEU A 13 15.224 -7.131 -14.993 1.00 22.34 N ATOM 139 CA LEU A 13 14.249 -7.499 -16.013 1.00 63.30 C ATOM 140 C LEU A 13 14.940 -8.087 -17.240 1.00 32.23 C ATOM 141 O LEU A 13 14.501 -9.099 -17.786 1.00 43.13 O ATOM 142 CB LEU A 13 13.419 -6.280 -16.418 1.00 34.44 C ATOM 143 CG LEU A 13 12.116 -6.572 -17.163 1.00 64.22 C ATOM 144 CD1 LEU A 13 11.213 -7.468 -16.330 1.00 63.12 C ATOM 145 CD2 LEU A 13 11.404 -5.276 -17.520 1.00 62.01 C ATOM 0 H LEU A 13 15.262 -6.133 -14.786 1.00 22.34 H new ATOM 0 HA LEU A 13 13.589 -8.257 -15.591 1.00 63.30 H new ATOM 0 HB2 LEU A 13 13.180 -5.713 -15.518 1.00 34.44 H new ATOM 0 HB3 LEU A 13 14.037 -5.637 -17.045 1.00 34.44 H new ATOM 0 HG LEU A 13 12.358 -7.096 -18.088 1.00 64.22 H new ATOM 0 HD11 LEU A 13 10.291 -7.665 -16.877 1.00 63.12 H new ATOM 0 HD12 LEU A 13 11.722 -8.410 -16.127 1.00 63.12 H new ATOM 0 HD13 LEU A 13 10.978 -6.973 -15.388 1.00 63.12 H new ATOM 0 HD21 LEU A 13 10.479 -5.503 -18.050 1.00 62.01 H new ATOM 0 HD22 LEU A 13 11.174 -4.724 -16.609 1.00 62.01 H new ATOM 0 HD23 LEU A 13 12.048 -4.671 -18.158 1.00 62.01 H new ATOM 157 N ASP A 14 16.024 -7.448 -17.664 1.00 63.03 N ATOM 158 CA ASP A 14 16.778 -7.909 -18.825 1.00 35.11 C ATOM 159 C ASP A 14 17.192 -9.368 -18.658 1.00 41.03 C ATOM 160 O ASP A 14 16.909 -10.206 -19.514 1.00 64.13 O ATOM 161 CB ASP A 14 18.015 -7.035 -19.036 1.00 20.12 C ATOM 162 CG ASP A 14 17.774 -5.922 -20.036 1.00 52.13 C ATOM 163 OD1 ASP A 14 17.279 -6.216 -21.144 1.00 23.11 O ATOM 164 OD2 ASP A 14 18.080 -4.756 -19.710 1.00 52.32 O1- ATOM 0 H ASP A 14 16.401 -6.610 -17.222 1.00 63.03 H new ATOM 0 HA ASP A 14 16.134 -7.830 -19.701 1.00 35.11 H new ATOM 0 HB2 ASP A 14 18.318 -6.603 -18.082 1.00 20.12 H new ATOM 0 HB3 ASP A 14 18.841 -7.657 -19.381 1.00 20.12 H new ATOM 169 N LYS A 15 17.866 -9.664 -17.552 1.00 12.31 N ATOM 170 CA LYS A 15 18.320 -11.021 -17.272 1.00 42.24 C ATOM 171 C LYS A 15 17.135 -11.961 -17.076 1.00 12.13 C ATOM 172 O LYS A 15 17.152 -13.102 -17.539 1.00 41.30 O ATOM 173 CB LYS A 15 19.209 -11.036 -16.027 1.00 31.33 C ATOM 174 CG LYS A 15 20.660 -11.381 -16.319 1.00 51.14 C ATOM 175 CD LYS A 15 21.461 -10.145 -16.694 1.00 21.41 C ATOM 176 CE LYS A 15 21.773 -9.292 -15.473 1.00 23.23 C ATOM 177 NZ LYS A 15 23.239 -9.185 -15.231 1.00 63.44 N1+ ATOM 0 H LYS A 15 18.110 -8.982 -16.834 1.00 12.31 H new ATOM 0 HA LYS A 15 18.899 -11.368 -18.128 1.00 42.24 H new ATOM 0 HB2 LYS A 15 19.166 -10.058 -15.549 1.00 31.33 H new ATOM 0 HB3 LYS A 15 18.809 -11.757 -15.314 1.00 31.33 H new ATOM 0 HG2 LYS A 15 21.106 -11.853 -15.444 1.00 51.14 H new ATOM 0 HG3 LYS A 15 20.706 -12.106 -17.131 1.00 51.14 H new ATOM 0 HD2 LYS A 15 22.391 -10.445 -17.177 1.00 21.41 H new ATOM 0 HD3 LYS A 15 20.902 -9.554 -17.419 1.00 21.41 H new ATOM 0 HE2 LYS A 15 21.354 -8.295 -15.610 1.00 23.23 H new ATOM 0 HE3 LYS A 15 21.291 -9.723 -14.596 1.00 23.23 H new ATOM 0 HZ1 LYS A 15 23.408 -8.887 -14.249 1.00 63.44 H new ATOM 0 HZ2 LYS A 15 23.686 -10.110 -15.394 1.00 63.44 H new ATOM 0 HZ3 LYS A 15 23.648 -8.483 -15.881 1.00 63.44 H new ATOM 191 N TRP A 16 16.109 -11.476 -16.387 1.00 50.23 N ATOM 192 CA TRP A 16 14.915 -12.274 -16.131 1.00 11.11 C ATOM 193 C TRP A 16 14.347 -12.835 -17.429 1.00 71.23 C ATOM 194 O TRP A 16 14.118 -14.038 -17.547 1.00 71.24 O ATOM 195 CB TRP A 16 13.856 -11.430 -15.418 1.00 44.21 C ATOM 196 CG TRP A 16 12.543 -12.136 -15.258 1.00 44.40 C ATOM 197 CD1 TRP A 16 11.439 -12.000 -16.050 1.00 62.42 C ATOM 198 CD2 TRP A 16 12.199 -13.085 -14.243 1.00 53.00 C ATOM 199 NE1 TRP A 16 10.428 -12.809 -15.588 1.00 52.21 N ATOM 200 CE2 TRP A 16 10.869 -13.484 -14.481 1.00 45.24 C ATOM 201 CE3 TRP A 16 12.883 -13.636 -13.158 1.00 22.54 C ATOM 202 CZ2 TRP A 16 10.214 -14.409 -13.672 1.00 31.11 C ATOM 203 CZ3 TRP A 16 12.232 -14.554 -12.356 1.00 1.02 C ATOM 204 CH2 TRP A 16 10.909 -14.933 -12.616 1.00 72.34 C ATOM 0 H TRP A 16 16.079 -10.535 -15.996 1.00 50.23 H new ATOM 0 HA TRP A 16 15.196 -13.109 -15.489 1.00 11.11 H new ATOM 0 HB2 TRP A 16 14.230 -11.146 -14.434 1.00 44.21 H new ATOM 0 HB3 TRP A 16 13.699 -10.508 -15.978 1.00 44.21 H new ATOM 0 HD1 TRP A 16 11.370 -11.353 -16.912 1.00 62.42 H new ATOM 0 HE1 TRP A 16 9.500 -12.893 -16.003 1.00 52.21 H new ATOM 0 HE3 TRP A 16 13.903 -13.350 -12.949 1.00 22.54 H new ATOM 0 HZ2 TRP A 16 9.194 -14.702 -13.871 1.00 31.11 H new ATOM 0 HZ3 TRP A 16 12.752 -14.987 -11.514 1.00 1.02 H new ATOM 0 HH2 TRP A 16 10.428 -15.653 -11.970 1.00 72.34 H new ATOM 215 N GLU A 17 14.121 -11.956 -18.400 1.00 73.43 N ATOM 216 CA GLU A 17 13.578 -12.367 -19.690 1.00 43.43 C ATOM 217 C GLU A 17 14.502 -13.370 -20.375 1.00 14.14 C ATOM 218 O GLU A 17 14.061 -14.184 -21.186 1.00 21.52 O ATOM 219 CB GLU A 17 13.372 -11.148 -20.593 1.00 33.41 C ATOM 220 CG GLU A 17 12.040 -10.448 -20.375 1.00 42.22 C ATOM 221 CD GLU A 17 11.616 -9.618 -21.572 1.00 34.12 C ATOM 222 OE1 GLU A 17 12.451 -8.843 -22.083 1.00 14.04 O1- ATOM 223 OE2 GLU A 17 10.448 -9.745 -21.996 1.00 11.22 O ATOM 0 H GLU A 17 14.305 -10.956 -18.318 1.00 73.43 H new ATOM 0 HA GLU A 17 12.616 -12.847 -19.514 1.00 43.43 H new ATOM 0 HB2 GLU A 17 14.180 -10.437 -20.419 1.00 33.41 H new ATOM 0 HB3 GLU A 17 13.442 -11.462 -21.635 1.00 33.41 H new ATOM 0 HG2 GLU A 17 11.273 -11.193 -20.163 1.00 42.22 H new ATOM 0 HG3 GLU A 17 12.111 -9.805 -19.498 1.00 42.22 H new ATOM 230 N LYS A 18 15.787 -13.304 -20.043 1.00 42.01 N ATOM 231 CA LYS A 18 16.775 -14.205 -20.624 1.00 62.00 C ATOM 232 C LYS A 18 16.674 -15.595 -20.003 1.00 3.21 C ATOM 233 O LYS A 18 16.619 -16.599 -20.712 1.00 25.41 O ATOM 234 CB LYS A 18 18.185 -13.646 -20.425 1.00 24.35 C ATOM 235 CG LYS A 18 19.135 -13.971 -21.564 1.00 51.23 C ATOM 236 CD LYS A 18 19.996 -12.774 -21.931 1.00 41.50 C ATOM 237 CE LYS A 18 21.094 -13.156 -22.912 1.00 61.05 C ATOM 238 NZ LYS A 18 20.553 -13.417 -24.275 1.00 42.00 N1+ ATOM 0 H LYS A 18 16.169 -12.635 -19.374 1.00 42.01 H new ATOM 0 HA LYS A 18 16.572 -14.288 -21.692 1.00 62.00 H new ATOM 0 HB2 LYS A 18 18.125 -12.564 -20.311 1.00 24.35 H new ATOM 0 HB3 LYS A 18 18.596 -14.042 -19.496 1.00 24.35 H new ATOM 0 HG2 LYS A 18 19.774 -14.806 -21.279 1.00 51.23 H new ATOM 0 HG3 LYS A 18 18.564 -14.290 -22.436 1.00 51.23 H new ATOM 0 HD2 LYS A 18 19.371 -11.995 -22.368 1.00 41.50 H new ATOM 0 HD3 LYS A 18 20.442 -12.355 -21.029 1.00 41.50 H new ATOM 0 HE2 LYS A 18 21.832 -12.355 -22.961 1.00 61.05 H new ATOM 0 HE3 LYS A 18 21.611 -14.045 -22.550 1.00 61.05 H new ATOM 0 HZ1 LYS A 18 21.332 -13.674 -24.914 1.00 42.00 H new ATOM 0 HZ2 LYS A 18 19.868 -14.198 -24.233 1.00 42.00 H new ATOM 0 HZ3 LYS A 18 20.081 -12.561 -24.631 1.00 42.00 H new ATOM 252 N ILE A 19 16.650 -15.644 -18.675 1.00 20.14 N ATOM 253 CA ILE A 19 16.554 -16.910 -17.960 1.00 22.21 C ATOM 254 C ILE A 19 15.387 -17.745 -18.475 1.00 21.33 C ATOM 255 O ILE A 19 14.314 -17.217 -18.767 1.00 64.32 O ATOM 256 CB ILE A 19 16.384 -16.690 -16.445 1.00 71.12 C ATOM 257 CG1 ILE A 19 17.558 -15.881 -15.890 1.00 64.34 C ATOM 258 CG2 ILE A 19 16.265 -18.025 -15.726 1.00 30.03 C ATOM 259 CD1 ILE A 19 17.137 -14.766 -14.959 1.00 5.24 C ATOM 0 H ILE A 19 16.696 -14.822 -18.073 1.00 20.14 H new ATOM 0 HA ILE A 19 17.487 -17.444 -18.139 1.00 22.21 H new ATOM 0 HB ILE A 19 15.467 -16.126 -16.275 1.00 71.12 H new ATOM 0 HG12 ILE A 19 18.232 -16.552 -15.358 1.00 64.34 H new ATOM 0 HG13 ILE A 19 18.121 -15.456 -16.721 1.00 64.34 H new ATOM 0 HG21 ILE A 19 16.145 -17.853 -14.656 1.00 30.03 H new ATOM 0 HG22 ILE A 19 15.399 -18.567 -16.105 1.00 30.03 H new ATOM 0 HG23 ILE A 19 17.166 -18.614 -15.900 1.00 30.03 H new ATOM 0 HD11 ILE A 19 18.020 -14.235 -14.604 1.00 5.24 H new ATOM 0 HD12 ILE A 19 16.487 -14.072 -15.492 1.00 5.24 H new ATOM 0 HD13 ILE A 19 16.600 -15.186 -14.108 1.00 5.24 H new ATOM 271 N ARG A 20 15.603 -19.052 -18.582 1.00 22.14 N ATOM 272 CA ARG A 20 14.569 -19.961 -19.061 1.00 62.53 C ATOM 273 C ARG A 20 13.974 -20.765 -17.908 1.00 13.32 C ATOM 274 O ARG A 20 14.603 -20.929 -16.862 1.00 23.44 O ATOM 275 CB ARG A 20 15.143 -20.911 -20.115 1.00 73.32 C ATOM 276 CG ARG A 20 15.325 -20.267 -21.480 1.00 10.22 C ATOM 277 CD ARG A 20 16.083 -21.181 -22.430 1.00 13.14 C ATOM 278 NE ARG A 20 17.207 -20.498 -23.066 1.00 30.54 N ATOM 279 CZ ARG A 20 17.946 -21.040 -24.028 1.00 41.31 C ATOM 280 NH1 ARG A 20 17.681 -22.264 -24.463 1.00 32.45 N1+ ATOM 281 NH2 ARG A 20 18.951 -20.356 -24.558 1.00 2.42 N ATOM 0 H ARG A 20 16.485 -19.505 -18.343 1.00 22.14 H new ATOM 0 HA ARG A 20 13.777 -19.363 -19.512 1.00 62.53 H new ATOM 0 HB2 ARG A 20 16.106 -21.286 -19.768 1.00 73.32 H new ATOM 0 HB3 ARG A 20 14.482 -21.772 -20.214 1.00 73.32 H new ATOM 0 HG2 ARG A 20 14.350 -20.028 -21.904 1.00 10.22 H new ATOM 0 HG3 ARG A 20 15.864 -19.326 -21.371 1.00 10.22 H new ATOM 0 HD2 ARG A 20 16.449 -22.049 -21.883 1.00 13.14 H new ATOM 0 HD3 ARG A 20 15.403 -21.551 -23.197 1.00 13.14 H new ATOM 0 HE ARG A 20 17.437 -19.554 -22.755 1.00 30.54 H new ATOM 0 HH11 ARG A 20 16.908 -22.793 -24.059 1.00 32.45 H new ATOM 0 HH12 ARG A 20 18.250 -22.677 -25.202 1.00 32.45 H new ATOM 0 HH21 ARG A 20 19.157 -19.413 -24.227 1.00 2.42 H new ATOM 0 HH22 ARG A 20 19.518 -20.773 -25.296 1.00 2.42 H new ATOM 295 N LEU A 21 12.757 -21.261 -18.105 1.00 43.55 N ATOM 296 CA LEU A 21 12.076 -22.046 -17.083 1.00 34.04 C ATOM 297 C LEU A 21 12.695 -23.434 -16.960 1.00 30.44 C ATOM 298 O LEU A 21 12.740 -24.011 -15.873 1.00 71.00 O ATOM 299 CB LEU A 21 10.587 -22.166 -17.411 1.00 53.11 C ATOM 300 CG LEU A 21 9.864 -20.858 -17.737 1.00 11.30 C ATOM 301 CD1 LEU A 21 8.908 -21.054 -18.904 1.00 31.14 C ATOM 302 CD2 LEU A 21 9.119 -20.340 -16.516 1.00 32.54 C ATOM 0 H LEU A 21 12.222 -21.133 -18.964 1.00 43.55 H new ATOM 0 HA LEU A 21 12.191 -21.532 -16.129 1.00 34.04 H new ATOM 0 HB2 LEU A 21 10.476 -22.841 -18.260 1.00 53.11 H new ATOM 0 HB3 LEU A 21 10.085 -22.634 -16.564 1.00 53.11 H new ATOM 0 HG LEU A 21 10.609 -20.116 -18.024 1.00 11.30 H new ATOM 0 HD11 LEU A 21 8.402 -20.113 -19.122 1.00 31.14 H new ATOM 0 HD12 LEU A 21 9.467 -21.377 -19.782 1.00 31.14 H new ATOM 0 HD13 LEU A 21 8.169 -21.812 -18.645 1.00 31.14 H new ATOM 0 HD21 LEU A 21 8.611 -19.409 -16.768 1.00 32.54 H new ATOM 0 HD22 LEU A 21 8.384 -21.079 -16.197 1.00 32.54 H new ATOM 0 HD23 LEU A 21 9.827 -20.160 -15.707 1.00 32.54 H new ATOM 314 N ARG A 22 13.172 -23.965 -18.081 1.00 31.04 N ATOM 315 CA ARG A 22 13.789 -25.286 -18.099 1.00 44.13 C ATOM 316 C ARG A 22 15.169 -25.232 -18.750 1.00 72.35 C ATOM 317 O ARG A 22 15.494 -24.308 -19.496 1.00 22.41 O ATOM 318 CB ARG A 22 12.898 -26.279 -18.847 1.00 52.31 C ATOM 319 CG ARG A 22 12.038 -27.134 -17.932 1.00 70.42 C ATOM 320 CD ARG A 22 10.616 -27.256 -18.456 1.00 61.14 C ATOM 321 NE ARG A 22 10.550 -28.044 -19.684 1.00 23.33 N ATOM 322 CZ ARG A 22 9.430 -28.250 -20.366 1.00 72.41 C ATOM 323 NH1 ARG A 22 8.287 -27.729 -19.943 1.00 72.24 N1+ ATOM 324 NH2 ARG A 22 9.450 -28.981 -21.474 1.00 44.41 N ATOM 0 H ARG A 22 13.143 -23.501 -18.989 1.00 31.04 H new ATOM 0 HA ARG A 22 13.905 -25.620 -17.068 1.00 44.13 H new ATOM 0 HB2 ARG A 22 12.251 -25.730 -19.531 1.00 52.31 H new ATOM 0 HB3 ARG A 22 13.525 -26.930 -19.455 1.00 52.31 H new ATOM 0 HG2 ARG A 22 12.479 -28.127 -17.839 1.00 70.42 H new ATOM 0 HG3 ARG A 22 12.023 -26.698 -16.933 1.00 70.42 H new ATOM 0 HD2 ARG A 22 9.988 -27.718 -17.695 1.00 61.14 H new ATOM 0 HD3 ARG A 22 10.212 -26.261 -18.642 1.00 61.14 H new ATOM 0 HE ARG A 22 11.412 -28.459 -20.037 1.00 23.33 H new ATOM 0 HH11 ARG A 22 8.266 -27.168 -19.091 1.00 72.24 H new ATOM 0 HH12 ARG A 22 7.428 -27.889 -20.469 1.00 72.24 H new ATOM 0 HH21 ARG A 22 10.327 -29.385 -21.802 1.00 44.41 H new ATOM 0 HH22 ARG A 22 8.588 -29.138 -21.997 1.00 44.41 H new ATOM 338 N PRO A 23 15.998 -26.246 -18.464 1.00 35.13 N ATOM 339 CA PRO A 23 17.355 -26.338 -19.011 1.00 12.32 C ATOM 340 C PRO A 23 17.357 -26.631 -20.508 1.00 31.13 C ATOM 341 O PRO A 23 18.232 -26.167 -21.239 1.00 54.15 O ATOM 342 CB PRO A 23 17.972 -27.505 -18.237 1.00 32.11 C ATOM 343 CG PRO A 23 16.810 -28.340 -17.820 1.00 43.42 C ATOM 344 CD PRO A 23 15.676 -27.381 -17.583 1.00 30.41 C ATOM 0 HA PRO A 23 17.902 -25.401 -18.903 1.00 12.32 H new ATOM 0 HB2 PRO A 23 18.663 -28.072 -18.860 1.00 32.11 H new ATOM 0 HB3 PRO A 23 18.537 -27.153 -17.374 1.00 32.11 H new ATOM 0 HG2 PRO A 23 16.553 -29.065 -18.592 1.00 43.42 H new ATOM 0 HG3 PRO A 23 17.039 -28.905 -16.916 1.00 43.42 H new ATOM 0 HD2 PRO A 23 14.714 -27.826 -17.837 1.00 30.41 H new ATOM 0 HD3 PRO A 23 15.620 -27.075 -16.538 1.00 30.41 H new ATOM 352 N GLY A 24 16.373 -27.403 -20.957 1.00 50.20 N ATOM 353 CA GLY A 24 16.281 -27.744 -22.365 1.00 34.12 C ATOM 354 C GLY A 24 14.903 -27.474 -22.937 1.00 40.21 C ATOM 355 O GLY A 24 14.265 -28.370 -23.486 1.00 64.40 O ATOM 0 H GLY A 24 15.638 -27.799 -20.371 1.00 50.20 H new ATOM 0 HA2 GLY A 24 17.022 -27.172 -22.924 1.00 34.12 H new ATOM 0 HA3 GLY A 24 16.526 -28.798 -22.497 1.00 34.12 H new ATOM 359 N GLY A 25 14.444 -26.233 -22.807 1.00 73.33 N ATOM 360 CA GLY A 25 13.135 -25.870 -23.319 1.00 44.35 C ATOM 361 C GLY A 25 13.217 -24.906 -24.487 1.00 63.04 C ATOM 362 O GLY A 25 14.301 -24.637 -25.005 1.00 21.00 O ATOM 0 H GLY A 25 14.954 -25.473 -22.357 1.00 73.33 H new ATOM 0 HA2 GLY A 25 12.608 -26.771 -23.632 1.00 44.35 H new ATOM 0 HA3 GLY A 25 12.548 -25.418 -22.519 1.00 44.35 H new ATOM 366 N LYS A 26 12.068 -24.387 -24.906 1.00 34.22 N ATOM 367 CA LYS A 26 12.012 -23.449 -26.021 1.00 22.52 C ATOM 368 C LYS A 26 11.265 -22.179 -25.626 1.00 1.15 C ATOM 369 O LYS A 26 10.663 -21.513 -26.468 1.00 14.21 O ATOM 370 CB LYS A 26 11.331 -24.098 -27.228 1.00 32.44 C ATOM 371 CG LYS A 26 11.702 -23.457 -28.553 1.00 1.23 C ATOM 372 CD LYS A 26 10.477 -23.228 -29.424 1.00 24.42 C ATOM 373 CE LYS A 26 10.849 -23.147 -30.896 1.00 52.42 C ATOM 374 NZ LYS A 26 9.658 -22.899 -31.756 1.00 75.21 N1+ ATOM 0 H LYS A 26 11.162 -24.600 -24.490 1.00 34.22 H new ATOM 0 HA LYS A 26 13.034 -23.181 -26.289 1.00 22.52 H new ATOM 0 HB2 LYS A 26 11.595 -25.155 -27.259 1.00 32.44 H new ATOM 0 HB3 LYS A 26 10.250 -24.043 -27.098 1.00 32.44 H new ATOM 0 HG2 LYS A 26 12.203 -22.506 -28.371 1.00 1.23 H new ATOM 0 HG3 LYS A 26 12.411 -24.095 -29.081 1.00 1.23 H new ATOM 0 HD2 LYS A 26 9.764 -24.038 -29.272 1.00 24.42 H new ATOM 0 HD3 LYS A 26 9.981 -22.306 -29.121 1.00 24.42 H new ATOM 0 HE2 LYS A 26 11.576 -22.349 -31.043 1.00 52.42 H new ATOM 0 HE3 LYS A 26 11.330 -24.076 -31.201 1.00 52.42 H new ATOM 0 HZ1 LYS A 26 9.953 -22.850 -32.752 1.00 75.21 H new ATOM 0 HZ2 LYS A 26 8.975 -23.674 -31.635 1.00 75.21 H new ATOM 0 HZ3 LYS A 26 9.213 -21.999 -31.482 1.00 75.21 H new ATOM 388 N LYS A 27 11.311 -21.847 -24.340 1.00 4.12 N ATOM 389 CA LYS A 27 10.643 -20.654 -23.833 1.00 32.12 C ATOM 390 C LYS A 27 11.437 -20.029 -22.690 1.00 21.02 C ATOM 391 O LYS A 27 12.060 -20.735 -21.898 1.00 73.02 O ATOM 392 CB LYS A 27 9.230 -21.001 -23.356 1.00 3.22 C ATOM 393 CG LYS A 27 8.166 -20.819 -24.425 1.00 52.23 C ATOM 394 CD LYS A 27 7.707 -19.373 -24.513 1.00 15.24 C ATOM 395 CE LYS A 27 6.508 -19.224 -25.437 1.00 74.33 C ATOM 396 NZ LYS A 27 5.927 -17.854 -25.377 1.00 33.42 N1+ ATOM 0 H LYS A 27 11.804 -22.388 -23.630 1.00 4.12 H new ATOM 0 HA LYS A 27 10.580 -19.930 -24.646 1.00 32.12 H new ATOM 0 HB2 LYS A 27 9.215 -22.035 -23.013 1.00 3.22 H new ATOM 0 HB3 LYS A 27 8.982 -20.377 -22.498 1.00 3.22 H new ATOM 0 HG2 LYS A 27 8.561 -21.136 -25.390 1.00 52.23 H new ATOM 0 HG3 LYS A 27 7.313 -21.460 -24.203 1.00 52.23 H new ATOM 0 HD2 LYS A 27 7.448 -19.011 -23.518 1.00 15.24 H new ATOM 0 HD3 LYS A 27 8.526 -18.752 -24.875 1.00 15.24 H new ATOM 0 HE2 LYS A 27 6.809 -19.446 -26.461 1.00 74.33 H new ATOM 0 HE3 LYS A 27 5.746 -19.954 -25.163 1.00 74.33 H new ATOM 0 HZ1 LYS A 27 5.112 -17.794 -26.021 1.00 33.42 H new ATOM 0 HZ2 LYS A 27 5.616 -17.651 -24.406 1.00 33.42 H new ATOM 0 HZ3 LYS A 27 6.646 -17.159 -25.663 1.00 33.42 H new ATOM 410 N GLN A 28 11.409 -18.703 -22.612 1.00 40.03 N ATOM 411 CA GLN A 28 12.126 -17.984 -21.565 1.00 42.45 C ATOM 412 C GLN A 28 11.168 -17.505 -20.480 1.00 23.20 C ATOM 413 O GLN A 28 9.976 -17.813 -20.509 1.00 30.52 O ATOM 414 CB GLN A 28 12.878 -16.793 -22.160 1.00 40.45 C ATOM 415 CG GLN A 28 13.646 -17.128 -23.428 1.00 44.00 C ATOM 416 CD GLN A 28 12.808 -16.959 -24.680 1.00 11.43 C ATOM 417 OE1 GLN A 28 12.293 -17.931 -25.232 1.00 44.44 O ATOM 418 NE2 GLN A 28 12.667 -15.719 -25.135 1.00 4.21 N ATOM 0 H GLN A 28 10.898 -18.104 -23.261 1.00 40.03 H new ATOM 0 HA GLN A 28 12.843 -18.669 -21.114 1.00 42.45 H new ATOM 0 HB2 GLN A 28 12.166 -15.996 -22.376 1.00 40.45 H new ATOM 0 HB3 GLN A 28 13.574 -16.405 -21.416 1.00 40.45 H new ATOM 0 HG2 GLN A 28 14.526 -16.488 -23.495 1.00 44.00 H new ATOM 0 HG3 GLN A 28 14.003 -18.156 -23.371 1.00 44.00 H new ATOM 0 HE21 GLN A 28 13.112 -14.942 -24.646 1.00 4.21 H new ATOM 0 HE22 GLN A 28 12.114 -15.543 -25.974 1.00 4.21 H new ATOM 427 N TYR A 29 11.696 -16.752 -19.523 1.00 15.34 N ATOM 428 CA TYR A 29 10.889 -16.233 -18.424 1.00 62.02 C ATOM 429 C TYR A 29 10.213 -14.923 -18.818 1.00 15.53 C ATOM 430 O TYR A 29 10.739 -14.156 -19.624 1.00 72.35 O ATOM 431 CB TYR A 29 11.756 -16.020 -17.183 1.00 30.53 C ATOM 432 CG TYR A 29 11.679 -17.157 -16.189 1.00 35.12 C ATOM 433 CD1 TYR A 29 10.582 -17.298 -15.348 1.00 11.33 C ATOM 434 CD2 TYR A 29 12.704 -18.090 -16.089 1.00 12.21 C ATOM 435 CE1 TYR A 29 10.507 -18.335 -14.437 1.00 45.53 C ATOM 436 CE2 TYR A 29 12.638 -19.130 -15.183 1.00 71.15 C ATOM 437 CZ TYR A 29 11.537 -19.248 -14.359 1.00 4.21 C ATOM 438 OH TYR A 29 11.468 -20.283 -13.455 1.00 43.40 O ATOM 0 H TYR A 29 12.680 -16.487 -19.485 1.00 15.34 H new ATOM 0 HA TYR A 29 10.116 -16.966 -18.196 1.00 62.02 H new ATOM 0 HB2 TYR A 29 12.793 -15.888 -17.492 1.00 30.53 H new ATOM 0 HB3 TYR A 29 11.451 -15.097 -16.691 1.00 30.53 H new ATOM 0 HD1 TYR A 29 9.773 -16.585 -15.407 1.00 11.33 H new ATOM 0 HD2 TYR A 29 13.568 -18.000 -16.731 1.00 12.21 H new ATOM 0 HE1 TYR A 29 9.647 -18.429 -13.791 1.00 45.53 H new ATOM 0 HE2 TYR A 29 13.443 -19.847 -15.120 1.00 71.15 H new ATOM 0 HH TYR A 29 12.176 -20.933 -13.647 1.00 43.40 H new ATOM 448 N LYS A 30 9.043 -14.672 -18.240 1.00 20.53 N ATOM 449 CA LYS A 30 8.293 -13.455 -18.526 1.00 32.24 C ATOM 450 C LYS A 30 7.478 -13.020 -17.313 1.00 35.54 C ATOM 451 O LYS A 30 7.332 -13.772 -16.347 1.00 62.24 O ATOM 452 CB LYS A 30 7.367 -13.672 -19.724 1.00 54.05 C ATOM 453 CG LYS A 30 7.585 -12.677 -20.851 1.00 12.43 C ATOM 454 CD LYS A 30 6.301 -12.413 -21.619 1.00 74.31 C ATOM 455 CE LYS A 30 6.586 -11.844 -23.001 1.00 72.02 C ATOM 456 NZ LYS A 30 6.179 -10.415 -23.107 1.00 20.42 N1+ ATOM 0 H LYS A 30 8.594 -15.296 -17.570 1.00 20.53 H new ATOM 0 HA LYS A 30 9.007 -12.666 -18.764 1.00 32.24 H new ATOM 0 HB2 LYS A 30 7.515 -14.681 -20.108 1.00 54.05 H new ATOM 0 HB3 LYS A 30 6.332 -13.607 -19.389 1.00 54.05 H new ATOM 0 HG2 LYS A 30 7.964 -11.740 -20.442 1.00 12.43 H new ATOM 0 HG3 LYS A 30 8.345 -13.059 -21.532 1.00 12.43 H new ATOM 0 HD2 LYS A 30 5.736 -13.340 -21.715 1.00 74.31 H new ATOM 0 HD3 LYS A 30 5.677 -11.716 -21.059 1.00 74.31 H new ATOM 0 HE2 LYS A 30 7.650 -11.936 -23.219 1.00 72.02 H new ATOM 0 HE3 LYS A 30 6.055 -12.430 -23.751 1.00 72.02 H new ATOM 0 HZ1 LYS A 30 6.389 -10.064 -24.063 1.00 20.42 H new ATOM 0 HZ2 LYS A 30 5.159 -10.330 -22.924 1.00 20.42 H new ATOM 0 HZ3 LYS A 30 6.704 -9.852 -22.408 1.00 20.42 H new ATOM 470 N LEU A 31 6.948 -11.803 -17.366 1.00 61.31 N ATOM 471 CA LEU A 31 6.145 -11.269 -16.271 1.00 43.10 C ATOM 472 C LEU A 31 5.013 -12.224 -15.909 1.00 41.14 C ATOM 473 O LEU A 31 4.563 -12.266 -14.764 1.00 12.23 O ATOM 474 CB LEU A 31 5.573 -9.903 -16.652 1.00 45.43 C ATOM 475 CG LEU A 31 6.219 -8.693 -15.976 1.00 54.43 C ATOM 476 CD1 LEU A 31 5.922 -8.692 -14.485 1.00 73.10 C ATOM 477 CD2 LEU A 31 7.720 -8.682 -16.222 1.00 45.53 C ATOM 0 H LEU A 31 7.060 -11.167 -18.156 1.00 61.31 H new ATOM 0 HA LEU A 31 6.791 -11.156 -15.401 1.00 43.10 H new ATOM 0 HB2 LEU A 31 5.663 -9.782 -17.732 1.00 45.43 H new ATOM 0 HB3 LEU A 31 4.508 -9.899 -16.418 1.00 45.43 H new ATOM 0 HG LEU A 31 5.793 -7.789 -16.411 1.00 54.43 H new ATOM 0 HD11 LEU A 31 6.390 -7.824 -14.021 1.00 73.10 H new ATOM 0 HD12 LEU A 31 4.844 -8.650 -14.329 1.00 73.10 H new ATOM 0 HD13 LEU A 31 6.319 -9.602 -14.034 1.00 73.10 H new ATOM 0 HD21 LEU A 31 8.162 -7.814 -15.733 1.00 45.53 H new ATOM 0 HD22 LEU A 31 8.162 -9.592 -15.815 1.00 45.53 H new ATOM 0 HD23 LEU A 31 7.913 -8.633 -17.294 1.00 45.53 H new ATOM 489 N LYS A 32 4.558 -12.993 -16.892 1.00 61.34 N ATOM 490 CA LYS A 32 3.480 -13.952 -16.678 1.00 54.44 C ATOM 491 C LYS A 32 3.785 -14.855 -15.488 1.00 75.51 C ATOM 492 O LYS A 32 2.875 -15.319 -14.798 1.00 42.24 O ATOM 493 CB LYS A 32 3.266 -14.799 -17.934 1.00 40.42 C ATOM 494 CG LYS A 32 1.942 -14.532 -18.630 1.00 64.22 C ATOM 495 CD LYS A 32 1.277 -15.824 -19.077 1.00 12.32 C ATOM 496 CE LYS A 32 1.640 -16.169 -20.513 1.00 4.33 C ATOM 497 NZ LYS A 32 0.461 -16.088 -21.418 1.00 52.44 N1+ ATOM 0 H LYS A 32 4.919 -12.971 -17.846 1.00 61.34 H new ATOM 0 HA LYS A 32 2.568 -13.395 -16.464 1.00 54.44 H new ATOM 0 HB2 LYS A 32 4.080 -14.608 -18.634 1.00 40.42 H new ATOM 0 HB3 LYS A 32 3.319 -15.854 -17.664 1.00 40.42 H new ATOM 0 HG2 LYS A 32 1.277 -13.994 -17.955 1.00 64.22 H new ATOM 0 HG3 LYS A 32 2.107 -13.889 -19.494 1.00 64.22 H new ATOM 0 HD2 LYS A 32 1.581 -16.638 -18.418 1.00 12.32 H new ATOM 0 HD3 LYS A 32 0.195 -15.728 -18.987 1.00 12.32 H new ATOM 0 HE2 LYS A 32 2.415 -15.489 -20.865 1.00 4.33 H new ATOM 0 HE3 LYS A 32 2.058 -17.175 -20.550 1.00 4.33 H new ATOM 0 HZ1 LYS A 32 0.750 -16.330 -22.387 1.00 52.44 H new ATOM 0 HZ2 LYS A 32 -0.269 -16.756 -21.097 1.00 52.44 H new ATOM 0 HZ3 LYS A 32 0.077 -15.122 -21.403 1.00 52.44 H new ATOM 511 N HIS A 33 5.069 -15.102 -15.251 1.00 3.43 N ATOM 512 CA HIS A 33 5.494 -15.949 -14.142 1.00 13.03 C ATOM 513 C HIS A 33 5.601 -15.141 -12.851 1.00 51.15 C ATOM 514 O HIS A 33 5.347 -15.723 -11.797 1.00 73.51 O ATOM 515 CB HIS A 33 6.839 -16.604 -14.459 1.00 24.24 C ATOM 516 CG HIS A 33 6.875 -17.281 -15.794 1.00 64.41 C ATOM 517 ND1 HIS A 33 7.715 -16.890 -16.815 1.00 31.24 N ATOM 518 CD2 HIS A 33 6.170 -18.333 -16.273 1.00 53.33 C ATOM 519 CE1 HIS A 33 7.523 -17.669 -17.863 1.00 62.13 C ATOM 520 NE2 HIS A 33 6.590 -18.554 -17.560 1.00 60.42 N ATOM 0 H HIS A 33 5.834 -14.728 -15.812 1.00 3.43 H new ATOM 0 HA HIS A 33 4.743 -16.727 -14.003 1.00 13.03 H new ATOM 0 HB2 HIS A 33 7.621 -15.845 -14.424 1.00 24.24 H new ATOM 0 HB3 HIS A 33 7.070 -17.335 -13.684 1.00 24.24 H new ATOM 0 HD2 HIS A 33 5.416 -18.894 -15.740 1.00 53.33 H new ATOM 0 HE1 HIS A 33 8.041 -17.595 -18.808 1.00 62.13 H new ATOM 0 HE2 HIS A 33 6.239 -19.283 -18.182 1.00 60.42 H new ATOM 528 N ILE A 34 5.955 -13.861 -12.905 1.00 25.15 N ATOM 529 CA ILE A 34 6.068 -13.050 -11.699 1.00 44.01 C ATOM 530 C ILE A 34 4.695 -12.720 -11.128 1.00 73.22 C ATOM 531 O ILE A 34 4.506 -12.693 -9.912 1.00 35.03 O ATOM 532 CB ILE A 34 6.828 -11.739 -11.972 1.00 51.43 C ATOM 533 CG1 ILE A 34 8.146 -12.027 -12.694 1.00 35.41 C ATOM 534 CG2 ILE A 34 7.082 -10.993 -10.671 1.00 1.23 C ATOM 535 CD1 ILE A 34 8.936 -10.781 -13.029 1.00 62.44 C ATOM 0 H ILE A 34 6.168 -13.364 -13.770 1.00 25.15 H new ATOM 0 HA ILE A 34 6.628 -13.640 -10.973 1.00 44.01 H new ATOM 0 HB ILE A 34 6.214 -11.109 -12.616 1.00 51.43 H new ATOM 0 HG12 ILE A 34 8.758 -12.679 -12.070 1.00 35.41 H new ATOM 0 HG13 ILE A 34 7.935 -12.572 -13.614 1.00 35.41 H new ATOM 0 HG21 ILE A 34 7.620 -10.069 -10.881 1.00 1.23 H new ATOM 0 HG22 ILE A 34 6.130 -10.759 -10.194 1.00 1.23 H new ATOM 0 HG23 ILE A 34 7.678 -11.616 -10.004 1.00 1.23 H new ATOM 0 HD11 ILE A 34 9.858 -11.061 -13.539 1.00 62.44 H new ATOM 0 HD12 ILE A 34 8.343 -10.138 -13.679 1.00 62.44 H new ATOM 0 HD13 ILE A 34 9.178 -10.246 -12.111 1.00 62.44 H new ATOM 547 N VAL A 35 3.736 -12.470 -12.014 1.00 35.45 N ATOM 548 CA VAL A 35 2.376 -12.145 -11.598 1.00 52.51 C ATOM 549 C VAL A 35 1.661 -13.373 -11.049 1.00 35.52 C ATOM 550 O VAL A 35 0.904 -13.282 -10.082 1.00 71.44 O ATOM 551 CB VAL A 35 1.556 -11.566 -12.767 1.00 12.25 C ATOM 552 CG1 VAL A 35 0.135 -11.260 -12.320 1.00 73.11 C ATOM 553 CG2 VAL A 35 2.229 -10.320 -13.323 1.00 73.51 C ATOM 0 H VAL A 35 3.875 -12.486 -13.024 1.00 35.45 H new ATOM 0 HA VAL A 35 2.456 -11.394 -10.812 1.00 52.51 H new ATOM 0 HB VAL A 35 1.510 -12.311 -13.561 1.00 12.25 H new ATOM 0 HG11 VAL A 35 -0.430 -10.852 -13.158 1.00 73.11 H new ATOM 0 HG12 VAL A 35 -0.342 -12.176 -11.972 1.00 73.11 H new ATOM 0 HG13 VAL A 35 0.157 -10.532 -11.509 1.00 73.11 H new ATOM 0 HG21 VAL A 35 1.637 -9.924 -14.148 1.00 73.51 H new ATOM 0 HG22 VAL A 35 2.307 -9.568 -12.538 1.00 73.51 H new ATOM 0 HG23 VAL A 35 3.226 -10.575 -13.682 1.00 73.51 H new ATOM 563 N TRP A 36 1.904 -14.521 -11.671 1.00 11.45 N ATOM 564 CA TRP A 36 1.283 -15.769 -11.242 1.00 64.24 C ATOM 565 C TRP A 36 1.686 -16.116 -9.814 1.00 31.01 C ATOM 566 O TRP A 36 0.833 -16.346 -8.957 1.00 63.01 O ATOM 567 CB TRP A 36 1.674 -16.908 -12.187 1.00 11.52 C ATOM 568 CG TRP A 36 1.128 -18.239 -11.769 1.00 65.31 C ATOM 569 CD1 TRP A 36 -0.130 -18.717 -11.997 1.00 41.01 C ATOM 570 CD2 TRP A 36 1.824 -19.263 -11.050 1.00 34.12 C ATOM 571 NE1 TRP A 36 -0.259 -19.976 -11.463 1.00 61.24 N ATOM 572 CE2 TRP A 36 0.927 -20.335 -10.877 1.00 53.21 C ATOM 573 CE3 TRP A 36 3.119 -19.380 -10.536 1.00 42.24 C ATOM 574 CZ2 TRP A 36 1.283 -21.505 -10.212 1.00 2.14 C ATOM 575 CZ3 TRP A 36 3.471 -20.542 -9.876 1.00 72.14 C ATOM 576 CH2 TRP A 36 2.557 -21.591 -9.720 1.00 33.31 C ATOM 0 H TRP A 36 2.526 -14.614 -12.474 1.00 11.45 H new ATOM 0 HA TRP A 36 0.202 -15.636 -11.271 1.00 64.24 H new ATOM 0 HB2 TRP A 36 1.318 -16.676 -13.191 1.00 11.52 H new ATOM 0 HB3 TRP A 36 2.761 -16.970 -12.240 1.00 11.52 H new ATOM 0 HD1 TRP A 36 -0.910 -18.184 -12.520 1.00 41.01 H new ATOM 0 HE1 TRP A 36 -1.101 -20.551 -11.497 1.00 61.24 H new ATOM 0 HE3 TRP A 36 3.831 -18.577 -10.653 1.00 42.24 H new ATOM 0 HZ2 TRP A 36 0.579 -22.315 -10.089 1.00 2.14 H new ATOM 0 HZ3 TRP A 36 4.468 -20.643 -9.474 1.00 72.14 H new ATOM 0 HH2 TRP A 36 2.864 -22.487 -9.201 1.00 33.31 H new ATOM 587 N ALA A 37 2.991 -16.152 -9.563 1.00 52.12 N ATOM 588 CA ALA A 37 3.506 -16.469 -8.237 1.00 34.33 C ATOM 589 C ALA A 37 2.874 -15.575 -7.175 1.00 34.14 C ATOM 590 O ALA A 37 2.464 -16.049 -6.115 1.00 61.44 O ATOM 591 CB ALA A 37 5.021 -16.331 -8.212 1.00 74.01 C ATOM 0 H ALA A 37 3.711 -15.965 -10.261 1.00 52.12 H new ATOM 0 HA ALA A 37 3.243 -17.502 -8.009 1.00 34.33 H new ATOM 0 HB1 ALA A 37 5.392 -16.571 -7.215 1.00 74.01 H new ATOM 0 HB2 ALA A 37 5.461 -17.016 -8.937 1.00 74.01 H new ATOM 0 HB3 ALA A 37 5.297 -15.308 -8.465 1.00 74.01 H new ATOM 597 N SER A 38 2.800 -14.280 -7.465 1.00 71.32 N ATOM 598 CA SER A 38 2.222 -13.320 -6.533 1.00 35.32 C ATOM 599 C SER A 38 0.837 -13.771 -6.077 1.00 12.25 C ATOM 600 O SER A 38 0.519 -13.729 -4.889 1.00 11.13 O ATOM 601 CB SER A 38 2.132 -11.938 -7.182 1.00 51.42 C ATOM 602 OG SER A 38 3.382 -11.270 -7.134 1.00 52.14 O ATOM 0 H SER A 38 3.133 -13.872 -8.338 1.00 71.32 H new ATOM 0 HA SER A 38 2.872 -13.262 -5.660 1.00 35.32 H new ATOM 0 HB2 SER A 38 1.810 -12.040 -8.218 1.00 51.42 H new ATOM 0 HB3 SER A 38 1.377 -11.341 -6.671 1.00 51.42 H new ATOM 0 HG SER A 38 3.941 -11.568 -7.882 1.00 52.14 H new ATOM 608 N ARG A 39 0.018 -14.202 -7.030 1.00 41.35 N ATOM 609 CA ARG A 39 -1.333 -14.659 -6.729 1.00 2.42 C ATOM 610 C ARG A 39 -1.303 -15.835 -5.756 1.00 55.44 C ATOM 611 O ARG A 39 -2.057 -15.866 -4.784 1.00 4.32 O ATOM 612 CB ARG A 39 -2.056 -15.064 -8.015 1.00 32.34 C ATOM 613 CG ARG A 39 -3.570 -15.089 -7.879 1.00 2.01 C ATOM 614 CD ARG A 39 -4.240 -15.451 -9.195 1.00 51.44 C ATOM 615 NE ARG A 39 -4.428 -14.282 -10.053 1.00 21.01 N ATOM 616 CZ ARG A 39 -4.803 -14.357 -11.325 1.00 3.23 C ATOM 617 NH1 ARG A 39 -5.029 -15.538 -11.884 1.00 71.13 N1+ ATOM 618 NH2 ARG A 39 -4.952 -13.249 -12.040 1.00 32.24 N ATOM 0 H ARG A 39 0.267 -14.244 -8.018 1.00 41.35 H new ATOM 0 HA ARG A 39 -1.874 -13.836 -6.262 1.00 2.42 H new ATOM 0 HB2 ARG A 39 -1.782 -14.370 -8.810 1.00 32.34 H new ATOM 0 HB3 ARG A 39 -1.711 -16.052 -8.321 1.00 32.34 H new ATOM 0 HG2 ARG A 39 -3.856 -15.810 -7.113 1.00 2.01 H new ATOM 0 HG3 ARG A 39 -3.923 -14.113 -7.546 1.00 2.01 H new ATOM 0 HD2 ARG A 39 -3.635 -16.191 -9.718 1.00 51.44 H new ATOM 0 HD3 ARG A 39 -5.207 -15.913 -8.995 1.00 51.44 H new ATOM 0 HE ARG A 39 -4.262 -13.359 -9.653 1.00 21.01 H new ATOM 0 HH11 ARG A 39 -4.915 -16.391 -11.337 1.00 71.13 H new ATOM 0 HH12 ARG A 39 -5.317 -15.593 -12.861 1.00 71.13 H new ATOM 0 HH21 ARG A 39 -4.779 -12.339 -11.613 1.00 32.24 H new ATOM 0 HH22 ARG A 39 -5.240 -13.307 -13.017 1.00 32.24 H new ATOM 632 N GLU A 40 -0.430 -16.799 -6.027 1.00 2.14 N ATOM 633 CA GLU A 40 -0.304 -17.976 -5.176 1.00 61.30 C ATOM 634 C GLU A 40 0.234 -17.598 -3.798 1.00 44.15 C ATOM 635 O GLU A 40 -0.169 -18.167 -2.784 1.00 13.01 O ATOM 636 CB GLU A 40 0.615 -19.009 -5.829 1.00 24.14 C ATOM 637 CG GLU A 40 0.245 -20.446 -5.504 1.00 60.43 C ATOM 638 CD GLU A 40 -1.120 -20.832 -6.042 1.00 34.33 C ATOM 639 OE1 GLU A 40 -2.120 -20.621 -5.324 1.00 14.13 O ATOM 640 OE2 GLU A 40 -1.188 -21.345 -7.178 1.00 51.01 O1- ATOM 0 H GLU A 40 0.200 -16.788 -6.829 1.00 2.14 H new ATOM 0 HA GLU A 40 -1.296 -18.410 -5.052 1.00 61.30 H new ATOM 0 HB2 GLU A 40 0.591 -18.872 -6.910 1.00 24.14 H new ATOM 0 HB3 GLU A 40 1.640 -18.825 -5.507 1.00 24.14 H new ATOM 0 HG2 GLU A 40 0.998 -21.115 -5.921 1.00 60.43 H new ATOM 0 HG3 GLU A 40 0.258 -20.585 -4.423 1.00 60.43 H new ATOM 647 N LEU A 41 1.149 -16.634 -3.772 1.00 50.05 N ATOM 648 CA LEU A 41 1.745 -16.180 -2.521 1.00 54.53 C ATOM 649 C LEU A 41 0.666 -15.768 -1.524 1.00 11.14 C ATOM 650 O LEU A 41 0.637 -16.251 -0.392 1.00 25.44 O ATOM 651 CB LEU A 41 2.690 -15.006 -2.781 1.00 2.21 C ATOM 652 CG LEU A 41 4.144 -15.369 -3.084 1.00 51.10 C ATOM 653 CD1 LEU A 41 4.956 -14.119 -3.383 1.00 14.35 C ATOM 654 CD2 LEU A 41 4.754 -16.138 -1.921 1.00 24.53 C ATOM 0 H LEU A 41 1.494 -16.153 -4.603 1.00 50.05 H new ATOM 0 HA LEU A 41 2.312 -17.007 -2.094 1.00 54.53 H new ATOM 0 HB2 LEU A 41 2.298 -14.429 -3.619 1.00 2.21 H new ATOM 0 HB3 LEU A 41 2.674 -14.353 -1.909 1.00 2.21 H new ATOM 0 HG LEU A 41 4.162 -16.008 -3.967 1.00 51.10 H new ATOM 0 HD11 LEU A 41 5.988 -14.398 -3.596 1.00 14.35 H new ATOM 0 HD12 LEU A 41 4.532 -13.608 -4.248 1.00 14.35 H new ATOM 0 HD13 LEU A 41 4.931 -13.454 -2.520 1.00 14.35 H new ATOM 0 HD21 LEU A 41 5.789 -16.388 -2.153 1.00 24.53 H new ATOM 0 HD22 LEU A 41 4.723 -15.523 -1.022 1.00 24.53 H new ATOM 0 HD23 LEU A 41 4.188 -17.054 -1.754 1.00 24.53 H new ATOM 666 N GLU A 42 -0.219 -14.873 -1.952 1.00 2.35 N ATOM 667 CA GLU A 42 -1.299 -14.397 -1.095 1.00 63.42 C ATOM 668 C GLU A 42 -2.118 -15.566 -0.554 1.00 54.23 C ATOM 669 O GLU A 42 -2.724 -15.472 0.513 1.00 12.41 O ATOM 670 CB GLU A 42 -2.207 -13.437 -1.867 1.00 22.42 C ATOM 671 CG GLU A 42 -1.987 -11.976 -1.514 1.00 31.31 C ATOM 672 CD GLU A 42 -2.064 -11.066 -2.724 1.00 44.21 C ATOM 673 OE1 GLU A 42 -1.538 -11.451 -3.789 1.00 60.23 O ATOM 674 OE2 GLU A 42 -2.649 -9.969 -2.606 1.00 31.34 O1- ATOM 0 H GLU A 42 -0.209 -14.463 -2.886 1.00 2.35 H new ATOM 0 HA GLU A 42 -0.854 -13.866 -0.253 1.00 63.42 H new ATOM 0 HB2 GLU A 42 -2.041 -13.573 -2.936 1.00 22.42 H new ATOM 0 HB3 GLU A 42 -3.247 -13.697 -1.671 1.00 22.42 H new ATOM 0 HG2 GLU A 42 -2.734 -11.666 -0.783 1.00 31.31 H new ATOM 0 HG3 GLU A 42 -1.012 -11.863 -1.041 1.00 31.31 H new ATOM 681 N ARG A 43 -2.133 -16.665 -1.300 1.00 61.40 N ATOM 682 CA ARG A 43 -2.880 -17.852 -0.897 1.00 43.24 C ATOM 683 C ARG A 43 -2.222 -18.526 0.302 1.00 24.43 C ATOM 684 O ARG A 43 -2.893 -19.164 1.114 1.00 34.34 O ATOM 685 CB ARG A 43 -2.976 -18.840 -2.063 1.00 12.24 C ATOM 686 CG ARG A 43 -4.149 -19.799 -1.952 1.00 15.51 C ATOM 687 CD ARG A 43 -3.692 -21.196 -1.563 1.00 72.51 C ATOM 688 NE ARG A 43 -3.864 -22.151 -2.655 1.00 61.12 N ATOM 689 CZ ARG A 43 -3.576 -23.444 -2.552 1.00 61.45 C ATOM 690 NH1 ARG A 43 -3.107 -23.933 -1.413 1.00 0.00 N1+ ATOM 691 NH2 ARG A 43 -3.760 -24.250 -3.590 1.00 44.31 N ATOM 0 H ARG A 43 -1.637 -16.759 -2.186 1.00 61.40 H new ATOM 0 HA ARG A 43 -3.884 -17.540 -0.611 1.00 43.24 H new ATOM 0 HB2 ARG A 43 -3.061 -18.282 -2.995 1.00 12.24 H new ATOM 0 HB3 ARG A 43 -2.051 -19.415 -2.118 1.00 12.24 H new ATOM 0 HG2 ARG A 43 -4.856 -19.427 -1.210 1.00 15.51 H new ATOM 0 HG3 ARG A 43 -4.678 -19.840 -2.904 1.00 15.51 H new ATOM 0 HD2 ARG A 43 -2.643 -21.166 -1.270 1.00 72.51 H new ATOM 0 HD3 ARG A 43 -4.257 -21.533 -0.694 1.00 72.51 H new ATOM 0 HE ARG A 43 -4.225 -21.807 -3.545 1.00 61.12 H new ATOM 0 HH11 ARG A 43 -2.966 -23.316 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.887 -24.926 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.123 -23.877 -4.467 1.00 44.31 H new ATOM 0 HH22 ARG A 43 -3.539 -25.243 -3.511 1.00 44.31 H new ATOM 705 N PHE A 44 -0.905 -18.382 0.408 1.00 44.05 N ATOM 706 CA PHE A 44 -0.156 -18.979 1.508 1.00 44.44 C ATOM 707 C PHE A 44 0.063 -17.966 2.628 1.00 43.21 C ATOM 708 O PHE A 44 1.020 -18.072 3.396 1.00 11.51 O ATOM 709 CB PHE A 44 1.191 -19.505 1.009 1.00 71.11 C ATOM 710 CG PHE A 44 1.067 -20.564 -0.048 1.00 74.32 C ATOM 711 CD1 PHE A 44 0.380 -21.740 0.208 1.00 62.34 C ATOM 712 CD2 PHE A 44 1.636 -20.384 -1.298 1.00 3.01 C ATOM 713 CE1 PHE A 44 0.264 -22.717 -0.763 1.00 52.02 C ATOM 714 CE2 PHE A 44 1.523 -21.357 -2.273 1.00 44.34 C ATOM 715 CZ PHE A 44 0.837 -22.525 -2.005 1.00 74.13 C ATOM 0 H PHE A 44 -0.334 -17.857 -0.255 1.00 44.05 H new ATOM 0 HA PHE A 44 -0.739 -19.811 1.903 1.00 44.44 H new ATOM 0 HB2 PHE A 44 1.772 -18.673 0.612 1.00 71.11 H new ATOM 0 HB3 PHE A 44 1.749 -19.909 1.853 1.00 71.11 H new ATOM 0 HD1 PHE A 44 -0.070 -21.895 1.177 1.00 62.34 H new ATOM 0 HD2 PHE A 44 2.174 -19.473 -1.513 1.00 3.01 H new ATOM 0 HE1 PHE A 44 -0.274 -23.629 -0.551 1.00 52.02 H new ATOM 0 HE2 PHE A 44 1.971 -21.204 -3.244 1.00 44.34 H new ATOM 0 HZ PHE A 44 0.749 -23.287 -2.765 1.00 74.13 H new ATOM 725 N ALA A 45 -0.829 -16.985 2.714 1.00 3.43 N ATOM 726 CA ALA A 45 -0.734 -15.955 3.741 1.00 41.42 C ATOM 727 C ALA A 45 0.530 -15.120 3.566 1.00 3.11 C ATOM 728 O ALA A 45 1.019 -14.507 4.516 1.00 73.32 O ATOM 729 CB ALA A 45 -0.767 -16.583 5.125 1.00 25.43 C ATOM 0 H ALA A 45 -1.625 -16.882 2.085 1.00 3.43 H new ATOM 0 HA ALA A 45 -1.593 -15.292 3.636 1.00 41.42 H new ATOM 0 HB1 ALA A 45 -0.695 -15.801 5.881 1.00 25.43 H new ATOM 0 HB2 ALA A 45 -1.702 -17.129 5.255 1.00 25.43 H new ATOM 0 HB3 ALA A 45 0.072 -17.270 5.233 1.00 25.43 H new ATOM 735 N VAL A 46 1.058 -15.102 2.346 1.00 70.31 N ATOM 736 CA VAL A 46 2.267 -14.343 2.047 1.00 32.12 C ATOM 737 C VAL A 46 1.991 -13.255 1.015 1.00 72.30 C ATOM 738 O VAL A 46 1.404 -13.516 -0.034 1.00 43.11 O ATOM 739 CB VAL A 46 3.390 -15.258 1.524 1.00 21.51 C ATOM 740 CG1 VAL A 46 4.627 -14.443 1.180 1.00 34.13 C ATOM 741 CG2 VAL A 46 3.718 -16.335 2.548 1.00 43.21 C ATOM 0 H VAL A 46 0.668 -15.604 1.549 1.00 70.31 H new ATOM 0 HA VAL A 46 2.590 -13.882 2.980 1.00 32.12 H new ATOM 0 HB VAL A 46 3.043 -15.747 0.614 1.00 21.51 H new ATOM 0 HG11 VAL A 46 5.409 -15.107 0.812 1.00 34.13 H new ATOM 0 HG12 VAL A 46 4.379 -13.713 0.410 1.00 34.13 H new ATOM 0 HG13 VAL A 46 4.980 -13.924 2.071 1.00 34.13 H new ATOM 0 HG21 VAL A 46 4.513 -16.973 2.163 1.00 43.21 H new ATOM 0 HG22 VAL A 46 4.046 -15.867 3.476 1.00 43.21 H new ATOM 0 HG23 VAL A 46 2.830 -16.938 2.739 1.00 43.21 H new ATOM 751 N ASN A 47 2.419 -12.034 1.322 1.00 65.42 N ATOM 752 CA ASN A 47 2.218 -10.906 0.420 1.00 43.41 C ATOM 753 C ASN A 47 3.149 -11.001 -0.786 1.00 54.44 C ATOM 754 O ASN A 47 4.302 -11.418 -0.680 1.00 62.33 O ATOM 755 CB ASN A 47 2.456 -9.588 1.159 1.00 12.40 C ATOM 756 CG ASN A 47 1.165 -8.956 1.645 1.00 4.34 C ATOM 757 OD1 ASN A 47 0.478 -9.507 2.504 1.00 55.55 O ATOM 758 ND2 ASN A 47 0.832 -7.795 1.095 1.00 42.01 N ATOM 0 H ASN A 47 2.906 -11.801 2.187 1.00 65.42 H new ATOM 0 HA ASN A 47 1.188 -10.935 0.065 1.00 43.41 H new ATOM 0 HB2 ASN A 47 3.113 -9.765 2.010 1.00 12.40 H new ATOM 0 HB3 ASN A 47 2.972 -8.892 0.498 1.00 12.40 H new ATOM 0 HD21 ASN A 47 -0.025 -7.322 1.382 1.00 42.01 H new ATOM 0 HD22 ASN A 47 1.433 -7.376 0.386 1.00 42.01 H new ATOM 765 N PRO A 48 2.637 -10.603 -1.961 1.00 14.12 N ATOM 766 CA PRO A 48 3.405 -10.632 -3.209 1.00 42.11 C ATOM 767 C PRO A 48 4.519 -9.591 -3.229 1.00 51.31 C ATOM 768 O PRO A 48 5.356 -9.579 -4.131 1.00 21.51 O ATOM 769 CB PRO A 48 2.356 -10.314 -4.278 1.00 23.42 C ATOM 770 CG PRO A 48 1.304 -9.543 -3.559 1.00 41.22 C ATOM 771 CD PRO A 48 1.270 -10.093 -2.160 1.00 71.33 C ATOM 0 HA PRO A 48 3.908 -11.588 -3.356 1.00 42.11 H new ATOM 0 HB2 PRO A 48 2.786 -9.732 -5.093 1.00 23.42 H new ATOM 0 HB3 PRO A 48 1.949 -11.225 -4.717 1.00 23.42 H new ATOM 0 HG2 PRO A 48 1.536 -8.478 -3.554 1.00 41.22 H new ATOM 0 HG3 PRO A 48 0.336 -9.656 -4.046 1.00 41.22 H new ATOM 0 HD2 PRO A 48 1.018 -9.322 -1.431 1.00 71.33 H new ATOM 0 HD3 PRO A 48 0.527 -10.884 -2.057 1.00 71.33 H new ATOM 779 N GLY A 49 4.522 -8.715 -2.229 1.00 30.03 N ATOM 780 CA GLY A 49 5.538 -7.681 -2.151 1.00 74.24 C ATOM 781 C GLY A 49 6.812 -8.168 -1.490 1.00 34.11 C ATOM 782 O GLY A 49 7.680 -7.371 -1.134 1.00 43.44 O ATOM 0 H GLY A 49 3.839 -8.703 -1.471 1.00 30.03 H new ATOM 0 HA2 GLY A 49 5.767 -7.325 -3.155 1.00 74.24 H new ATOM 0 HA3 GLY A 49 5.145 -6.831 -1.593 1.00 74.24 H new ATOM 786 N LEU A 50 6.923 -9.481 -1.322 1.00 4.14 N ATOM 787 CA LEU A 50 8.101 -10.074 -0.697 1.00 30.52 C ATOM 788 C LEU A 50 9.096 -10.549 -1.751 1.00 24.43 C ATOM 789 O LEU A 50 10.298 -10.631 -1.494 1.00 61.31 O ATOM 790 CB LEU A 50 7.691 -11.246 0.199 1.00 2.21 C ATOM 791 CG LEU A 50 6.780 -10.902 1.377 1.00 4.10 C ATOM 792 CD1 LEU A 50 6.555 -12.126 2.252 1.00 1.44 C ATOM 793 CD2 LEU A 50 7.369 -9.762 2.193 1.00 2.54 C ATOM 0 H LEU A 50 6.213 -10.155 -1.609 1.00 4.14 H new ATOM 0 HA LEU A 50 8.583 -9.309 -0.088 1.00 30.52 H new ATOM 0 HB2 LEU A 50 7.188 -11.991 -0.418 1.00 2.21 H new ATOM 0 HB3 LEU A 50 8.595 -11.713 0.589 1.00 2.21 H new ATOM 0 HG LEU A 50 5.816 -10.579 0.984 1.00 4.10 H new ATOM 0 HD11 LEU A 50 5.904 -11.863 3.086 1.00 1.44 H new ATOM 0 HD12 LEU A 50 6.088 -12.914 1.662 1.00 1.44 H new ATOM 0 HD13 LEU A 50 7.512 -12.479 2.636 1.00 1.44 H new ATOM 0 HD21 LEU A 50 6.706 -9.531 3.027 1.00 2.54 H new ATOM 0 HD22 LEU A 50 8.346 -10.056 2.576 1.00 2.54 H new ATOM 0 HD23 LEU A 50 7.477 -8.880 1.561 1.00 2.54 H new ATOM 805 N LEU A 51 8.589 -10.861 -2.939 1.00 50.31 N ATOM 806 CA LEU A 51 9.433 -11.325 -4.033 1.00 44.24 C ATOM 807 C LEU A 51 10.381 -10.222 -4.496 1.00 75.44 C ATOM 808 O LEU A 51 11.449 -10.498 -5.040 1.00 22.53 O ATOM 809 CB LEU A 51 8.569 -11.796 -5.205 1.00 2.44 C ATOM 810 CG LEU A 51 7.560 -12.902 -4.893 1.00 1.11 C ATOM 811 CD1 LEU A 51 6.529 -13.012 -6.005 1.00 61.15 C ATOM 812 CD2 LEU A 51 8.273 -14.231 -4.690 1.00 73.33 C ATOM 0 H LEU A 51 7.597 -10.801 -3.168 1.00 50.31 H new ATOM 0 HA LEU A 51 10.029 -12.162 -3.669 1.00 44.24 H new ATOM 0 HB2 LEU A 51 8.026 -10.937 -5.598 1.00 2.44 H new ATOM 0 HB3 LEU A 51 9.229 -12.147 -5.999 1.00 2.44 H new ATOM 0 HG LEU A 51 7.041 -12.646 -3.969 1.00 1.11 H new ATOM 0 HD11 LEU A 51 5.819 -13.804 -5.766 1.00 61.15 H new ATOM 0 HD12 LEU A 51 5.997 -12.066 -6.103 1.00 61.15 H new ATOM 0 HD13 LEU A 51 7.030 -13.245 -6.944 1.00 61.15 H new ATOM 0 HD21 LEU A 51 7.540 -15.007 -4.469 1.00 73.33 H new ATOM 0 HD22 LEU A 51 8.818 -14.494 -5.597 1.00 73.33 H new ATOM 0 HD23 LEU A 51 8.973 -14.145 -3.859 1.00 73.33 H new ATOM 824 N GLU A 52 9.980 -8.974 -4.275 1.00 62.32 N ATOM 825 CA GLU A 52 10.795 -7.831 -4.669 1.00 42.10 C ATOM 826 C GLU A 52 11.959 -7.634 -3.702 1.00 2.22 C ATOM 827 O GLU A 52 12.825 -6.785 -3.918 1.00 4.23 O ATOM 828 CB GLU A 52 9.941 -6.562 -4.723 1.00 11.15 C ATOM 829 CG GLU A 52 9.413 -6.127 -3.366 1.00 55.31 C ATOM 830 CD GLU A 52 9.943 -4.771 -2.941 1.00 60.15 C ATOM 831 OE1 GLU A 52 11.100 -4.452 -3.288 1.00 14.04 O ATOM 832 OE2 GLU A 52 9.202 -4.029 -2.265 1.00 35.32 O1- ATOM 0 H GLU A 52 9.097 -8.729 -3.826 1.00 62.32 H new ATOM 0 HA GLU A 52 11.200 -8.030 -5.661 1.00 42.10 H new ATOM 0 HB2 GLU A 52 10.534 -5.753 -5.150 1.00 11.15 H new ATOM 0 HB3 GLU A 52 9.099 -6.729 -5.395 1.00 11.15 H new ATOM 0 HG2 GLU A 52 8.324 -6.094 -3.398 1.00 55.31 H new ATOM 0 HG3 GLU A 52 9.687 -6.871 -2.618 1.00 55.31 H new ATOM 839 N THR A 53 11.972 -8.423 -2.632 1.00 63.11 N ATOM 840 CA THR A 53 13.027 -8.335 -1.630 1.00 31.12 C ATOM 841 C THR A 53 13.806 -9.642 -1.535 1.00 62.05 C ATOM 842 O THR A 53 13.220 -10.719 -1.431 1.00 55.32 O ATOM 843 CB THR A 53 12.456 -7.990 -0.242 1.00 52.41 C ATOM 844 OG1 THR A 53 11.665 -9.079 0.247 1.00 1.30 O ATOM 845 CG2 THR A 53 11.608 -6.728 -0.305 1.00 34.30 C ATOM 0 H THR A 53 11.263 -9.130 -2.437 1.00 63.11 H new ATOM 0 HA THR A 53 13.698 -7.537 -1.948 1.00 31.12 H new ATOM 0 HB THR A 53 13.290 -7.815 0.437 1.00 52.41 H new ATOM 0 HG1 THR A 53 11.314 -9.594 -0.509 1.00 1.30 H new ATOM 0 HG21 THR A 53 11.215 -6.504 0.687 1.00 34.30 H new ATOM 0 HG22 THR A 53 12.221 -5.895 -0.650 1.00 34.30 H new ATOM 0 HG23 THR A 53 10.780 -6.880 -0.997 1.00 34.30 H new ATOM 853 N SER A 54 15.131 -9.540 -1.573 1.00 52.41 N ATOM 854 CA SER A 54 15.991 -10.715 -1.494 1.00 41.23 C ATOM 855 C SER A 54 15.686 -11.528 -0.239 1.00 2.41 C ATOM 856 O SER A 54 15.917 -12.736 -0.198 1.00 43.22 O ATOM 857 CB SER A 54 17.462 -10.298 -1.502 1.00 61.22 C ATOM 858 OG SER A 54 17.982 -10.238 -0.185 1.00 43.12 O ATOM 0 H SER A 54 15.632 -8.656 -1.658 1.00 52.41 H new ATOM 0 HA SER A 54 15.794 -11.339 -2.366 1.00 41.23 H new ATOM 0 HB2 SER A 54 18.041 -11.007 -2.093 1.00 61.22 H new ATOM 0 HB3 SER A 54 17.565 -9.325 -1.982 1.00 61.22 H new ATOM 0 HG SER A 54 18.924 -9.971 -0.217 1.00 43.12 H new ATOM 864 N GLU A 55 15.167 -10.854 0.783 1.00 3.22 N ATOM 865 CA GLU A 55 14.833 -11.513 2.039 1.00 33.35 C ATOM 866 C GLU A 55 13.461 -12.177 1.958 1.00 62.14 C ATOM 867 O GLU A 55 13.285 -13.318 2.382 1.00 65.01 O ATOM 868 CB GLU A 55 14.857 -10.506 3.192 1.00 50.04 C ATOM 869 CG GLU A 55 15.930 -10.791 4.228 1.00 65.44 C ATOM 870 CD GLU A 55 15.664 -12.063 5.009 1.00 55.03 C ATOM 871 OE1 GLU A 55 14.937 -11.995 6.023 1.00 61.44 O1- ATOM 872 OE2 GLU A 55 16.182 -13.125 4.607 1.00 22.53 O ATOM 0 H GLU A 55 14.969 -9.854 0.765 1.00 3.22 H new ATOM 0 HA GLU A 55 15.580 -12.284 2.224 1.00 33.35 H new ATOM 0 HB2 GLU A 55 15.012 -9.506 2.787 1.00 50.04 H new ATOM 0 HB3 GLU A 55 13.883 -10.504 3.681 1.00 50.04 H new ATOM 0 HG2 GLU A 55 16.897 -10.870 3.732 1.00 65.44 H new ATOM 0 HG3 GLU A 55 15.994 -9.951 4.920 1.00 65.44 H new ATOM 879 N GLY A 56 12.492 -11.452 1.409 1.00 54.54 N ATOM 880 CA GLY A 56 11.148 -11.985 1.282 1.00 41.14 C ATOM 881 C GLY A 56 11.123 -13.339 0.601 1.00 2.42 C ATOM 882 O GLY A 56 10.393 -14.238 1.019 1.00 64.20 O ATOM 0 H GLY A 56 12.613 -10.505 1.050 1.00 54.54 H new ATOM 0 HA2 GLY A 56 10.700 -12.071 2.272 1.00 41.14 H new ATOM 0 HA3 GLY A 56 10.535 -11.285 0.714 1.00 41.14 H new ATOM 886 N CYS A 57 11.921 -13.484 -0.451 1.00 40.21 N ATOM 887 CA CYS A 57 11.986 -14.739 -1.194 1.00 10.44 C ATOM 888 C CYS A 57 12.525 -15.863 -0.315 1.00 54.12 C ATOM 889 O CYS A 57 12.019 -16.984 -0.345 1.00 73.33 O ATOM 890 CB CYS A 57 12.869 -14.576 -2.432 1.00 52.14 C ATOM 891 SG CYS A 57 11.951 -14.231 -3.951 1.00 74.55 S ATOM 0 H CYS A 57 12.532 -12.750 -0.809 1.00 40.21 H new ATOM 0 HA CYS A 57 10.976 -15.000 -1.508 1.00 10.44 H new ATOM 0 HB2 CYS A 57 13.577 -13.766 -2.256 1.00 52.14 H new ATOM 0 HB3 CYS A 57 13.453 -15.486 -2.571 1.00 52.14 H new ATOM 0 HG CYS A 57 12.783 -14.107 -4.942 1.00 74.55 H new ATOM 897 N ARG A 58 13.555 -15.555 0.466 1.00 2.44 N ATOM 898 CA ARG A 58 14.165 -16.541 1.351 1.00 10.55 C ATOM 899 C ARG A 58 13.110 -17.211 2.225 1.00 32.02 C ATOM 900 O ARG A 58 13.054 -18.437 2.316 1.00 25.23 O ATOM 901 CB ARG A 58 15.227 -15.879 2.231 1.00 61.23 C ATOM 902 CG ARG A 58 16.067 -16.870 3.021 1.00 44.11 C ATOM 903 CD ARG A 58 15.869 -16.699 4.518 1.00 72.12 C ATOM 904 NE ARG A 58 16.863 -17.440 5.290 1.00 1.20 N ATOM 905 CZ ARG A 58 18.105 -17.013 5.491 1.00 0.13 C ATOM 906 NH1 ARG A 58 18.502 -15.856 4.980 1.00 0.32 N1+ ATOM 907 NH2 ARG A 58 18.952 -17.744 6.205 1.00 42.30 N ATOM 0 H ARG A 58 13.985 -14.631 0.504 1.00 2.44 H new ATOM 0 HA ARG A 58 14.639 -17.304 0.734 1.00 10.55 H new ATOM 0 HB2 ARG A 58 15.884 -15.278 1.603 1.00 61.23 H new ATOM 0 HB3 ARG A 58 14.737 -15.196 2.925 1.00 61.23 H new ATOM 0 HG2 ARG A 58 15.801 -17.886 2.731 1.00 44.11 H new ATOM 0 HG3 ARG A 58 17.120 -16.734 2.774 1.00 44.11 H new ATOM 0 HD2 ARG A 58 15.927 -15.641 4.773 1.00 72.12 H new ATOM 0 HD3 ARG A 58 14.870 -17.038 4.793 1.00 72.12 H new ATOM 0 HE ARG A 58 16.589 -18.334 5.697 1.00 1.20 H new ATOM 0 HH11 ARG A 58 17.853 -15.292 4.431 1.00 0.32 H new ATOM 0 HH12 ARG A 58 19.456 -15.530 5.136 1.00 0.32 H new ATOM 0 HH21 ARG A 58 18.650 -18.634 6.600 1.00 42.30 H new ATOM 0 HH22 ARG A 58 19.905 -17.415 6.359 1.00 42.30 H new ATOM 921 N GLN A 59 12.277 -16.399 2.867 1.00 12.01 N ATOM 922 CA GLN A 59 11.225 -16.914 3.736 1.00 42.20 C ATOM 923 C GLN A 59 10.276 -17.822 2.961 1.00 12.11 C ATOM 924 O GLN A 59 9.790 -18.824 3.488 1.00 12.22 O ATOM 925 CB GLN A 59 10.444 -15.760 4.367 1.00 71.31 C ATOM 926 CG GLN A 59 11.235 -14.991 5.413 1.00 60.43 C ATOM 927 CD GLN A 59 10.347 -14.178 6.334 1.00 2.01 C ATOM 928 OE1 GLN A 59 9.533 -13.373 5.880 1.00 2.52 O ATOM 929 NE2 GLN A 59 10.499 -14.383 7.637 1.00 21.23 N ATOM 0 H GLN A 59 12.310 -15.382 2.802 1.00 12.01 H new ATOM 0 HA GLN A 59 11.695 -17.499 4.526 1.00 42.20 H new ATOM 0 HB2 GLN A 59 10.131 -15.072 3.582 1.00 71.31 H new ATOM 0 HB3 GLN A 59 9.537 -16.154 4.826 1.00 71.31 H new ATOM 0 HG2 GLN A 59 11.823 -15.692 6.006 1.00 60.43 H new ATOM 0 HG3 GLN A 59 11.940 -14.326 4.914 1.00 60.43 H new ATOM 0 HE21 GLN A 59 11.186 -15.060 7.970 1.00 21.23 H new ATOM 0 HE22 GLN A 59 9.929 -13.864 8.305 1.00 21.23 H new ATOM 938 N ILE A 60 10.015 -17.466 1.708 1.00 42.10 N ATOM 939 CA ILE A 60 9.125 -18.250 0.861 1.00 44.53 C ATOM 940 C ILE A 60 9.743 -19.599 0.513 1.00 61.42 C ATOM 941 O ILE A 60 9.079 -20.635 0.581 1.00 14.41 O ATOM 942 CB ILE A 60 8.786 -17.502 -0.443 1.00 61.52 C ATOM 943 CG1 ILE A 60 8.131 -16.156 -0.129 1.00 50.42 C ATOM 944 CG2 ILE A 60 7.874 -18.349 -1.317 1.00 64.34 C ATOM 945 CD1 ILE A 60 8.167 -15.182 -1.286 1.00 14.34 C ATOM 0 H ILE A 60 10.407 -16.640 1.257 1.00 42.10 H new ATOM 0 HA ILE A 60 8.208 -18.409 1.429 1.00 44.53 H new ATOM 0 HB ILE A 60 9.711 -17.316 -0.989 1.00 61.52 H new ATOM 0 HG12 ILE A 60 7.094 -16.325 0.161 1.00 50.42 H new ATOM 0 HG13 ILE A 60 8.633 -15.708 0.728 1.00 50.42 H new ATOM 0 HG21 ILE A 60 7.643 -17.807 -2.234 1.00 64.34 H new ATOM 0 HG22 ILE A 60 8.374 -19.285 -1.564 1.00 64.34 H new ATOM 0 HG23 ILE A 60 6.950 -18.562 -0.779 1.00 64.34 H new ATOM 0 HD11 ILE A 60 7.685 -14.250 -0.992 1.00 14.34 H new ATOM 0 HD12 ILE A 60 9.203 -14.984 -1.563 1.00 14.34 H new ATOM 0 HD13 ILE A 60 7.639 -15.610 -2.138 1.00 14.34 H new ATOM 957 N LEU A 61 11.018 -19.582 0.142 1.00 23.24 N ATOM 958 CA LEU A 61 11.729 -20.806 -0.214 1.00 15.10 C ATOM 959 C LEU A 61 11.940 -21.689 1.011 1.00 14.25 C ATOM 960 O LEU A 61 12.048 -22.909 0.899 1.00 72.53 O ATOM 961 CB LEU A 61 13.077 -20.469 -0.852 1.00 51.55 C ATOM 962 CG LEU A 61 13.020 -19.743 -2.197 1.00 44.21 C ATOM 963 CD1 LEU A 61 14.376 -19.144 -2.539 1.00 74.43 C ATOM 964 CD2 LEU A 61 12.563 -20.692 -3.296 1.00 74.32 C ATOM 0 H LEU A 61 11.582 -18.734 0.080 1.00 23.24 H new ATOM 0 HA LEU A 61 11.120 -21.354 -0.933 1.00 15.10 H new ATOM 0 HB2 LEU A 61 13.643 -19.853 -0.153 1.00 51.55 H new ATOM 0 HB3 LEU A 61 13.635 -21.396 -0.985 1.00 51.55 H new ATOM 0 HG LEU A 61 12.296 -18.932 -2.119 1.00 44.21 H new ATOM 0 HD11 LEU A 61 14.316 -18.632 -3.499 1.00 74.43 H new ATOM 0 HD12 LEU A 61 14.665 -18.432 -1.766 1.00 74.43 H new ATOM 0 HD13 LEU A 61 15.120 -19.938 -2.598 1.00 74.43 H new ATOM 0 HD21 LEU A 61 12.528 -20.159 -4.246 1.00 74.32 H new ATOM 0 HD22 LEU A 61 13.263 -21.524 -3.372 1.00 74.32 H new ATOM 0 HD23 LEU A 61 11.570 -21.074 -3.058 1.00 74.32 H new ATOM 976 N GLY A 62 11.999 -21.063 2.183 1.00 75.32 N ATOM 977 CA GLY A 62 12.195 -21.807 3.413 1.00 32.40 C ATOM 978 C GLY A 62 11.010 -22.690 3.752 1.00 25.51 C ATOM 979 O GLY A 62 11.179 -23.788 4.283 1.00 70.45 O ATOM 0 H GLY A 62 11.914 -20.053 2.302 1.00 75.32 H new ATOM 0 HA2 GLY A 62 13.089 -22.423 3.322 1.00 32.40 H new ATOM 0 HA3 GLY A 62 12.370 -21.109 4.232 1.00 32.40 H new ATOM 983 N GLN A 63 9.810 -22.211 3.445 1.00 75.42 N ATOM 984 CA GLN A 63 8.592 -22.965 3.722 1.00 62.11 C ATOM 985 C GLN A 63 8.331 -23.999 2.632 1.00 41.50 C ATOM 986 O GLN A 63 7.796 -25.075 2.897 1.00 70.14 O ATOM 987 CB GLN A 63 7.397 -22.019 3.841 1.00 40.33 C ATOM 988 CG GLN A 63 7.009 -21.705 5.277 1.00 42.12 C ATOM 989 CD GLN A 63 5.669 -22.299 5.663 1.00 61.24 C ATOM 990 OE1 GLN A 63 4.754 -21.584 6.074 1.00 45.13 O ATOM 991 NE2 GLN A 63 5.545 -23.615 5.533 1.00 12.41 N ATOM 0 H GLN A 63 9.654 -21.304 3.004 1.00 75.42 H new ATOM 0 HA GLN A 63 8.727 -23.489 4.668 1.00 62.11 H new ATOM 0 HB2 GLN A 63 7.629 -21.088 3.324 1.00 40.33 H new ATOM 0 HB3 GLN A 63 6.542 -22.462 3.331 1.00 40.33 H new ATOM 0 HG2 GLN A 63 7.778 -22.086 5.949 1.00 42.12 H new ATOM 0 HG3 GLN A 63 6.975 -20.624 5.412 1.00 42.12 H new ATOM 0 HE21 GLN A 63 6.329 -24.170 5.189 1.00 12.41 H new ATOM 0 HE22 GLN A 63 4.666 -24.071 5.778 1.00 12.41 H new ATOM 1000 N LEU A 64 8.713 -23.665 1.404 1.00 60.22 N ATOM 1001 CA LEU A 64 8.521 -24.564 0.271 1.00 31.32 C ATOM 1002 C LEU A 64 9.595 -25.647 0.246 1.00 15.14 C ATOM 1003 O LEU A 64 9.378 -26.736 -0.283 1.00 32.33 O ATOM 1004 CB LEU A 64 8.544 -23.776 -1.040 1.00 61.43 C ATOM 1005 CG LEU A 64 7.418 -22.760 -1.232 1.00 74.15 C ATOM 1006 CD1 LEU A 64 7.530 -22.091 -2.593 1.00 14.20 C ATOM 1007 CD2 LEU A 64 6.061 -23.432 -1.078 1.00 12.45 C ATOM 0 H LEU A 64 9.158 -22.778 1.167 1.00 60.22 H new ATOM 0 HA LEU A 64 7.549 -25.045 0.382 1.00 31.32 H new ATOM 0 HB2 LEU A 64 9.496 -23.250 -1.108 1.00 61.43 H new ATOM 0 HB3 LEU A 64 8.512 -24.485 -1.867 1.00 61.43 H new ATOM 0 HG LEU A 64 7.512 -21.993 -0.463 1.00 74.15 H new ATOM 0 HD11 LEU A 64 6.720 -21.371 -2.712 1.00 14.20 H new ATOM 0 HD12 LEU A 64 8.488 -21.576 -2.667 1.00 14.20 H new ATOM 0 HD13 LEU A 64 7.462 -22.846 -3.376 1.00 14.20 H new ATOM 0 HD21 LEU A 64 5.271 -22.694 -1.218 1.00 12.45 H new ATOM 0 HD22 LEU A 64 5.958 -24.219 -1.825 1.00 12.45 H new ATOM 0 HD23 LEU A 64 5.980 -23.865 -0.081 1.00 12.45 H new ATOM 1019 N GLN A 65 10.752 -25.338 0.824 1.00 73.05 N ATOM 1020 CA GLN A 65 11.859 -26.286 0.870 1.00 52.15 C ATOM 1021 C GLN A 65 11.404 -27.628 1.434 1.00 1.20 C ATOM 1022 O GLN A 65 11.461 -28.661 0.767 1.00 23.51 O ATOM 1023 CB GLN A 65 13.003 -25.726 1.715 1.00 40.10 C ATOM 1024 CG GLN A 65 14.261 -25.426 0.914 1.00 74.34 C ATOM 1025 CD GLN A 65 15.487 -25.263 1.792 1.00 74.40 C ATOM 1026 OE1 GLN A 65 15.403 -24.738 2.903 1.00 64.34 O ATOM 1027 NE2 GLN A 65 16.633 -25.714 1.297 1.00 30.23 N ATOM 0 H GLN A 65 10.947 -24.440 1.266 1.00 73.05 H new ATOM 0 HA GLN A 65 12.212 -26.442 -0.149 1.00 52.15 H new ATOM 0 HB2 GLN A 65 12.668 -24.812 2.205 1.00 40.10 H new ATOM 0 HB3 GLN A 65 13.245 -26.440 2.502 1.00 40.10 H new ATOM 0 HG2 GLN A 65 14.434 -26.232 0.201 1.00 74.34 H new ATOM 0 HG3 GLN A 65 14.110 -24.515 0.335 1.00 74.34 H new ATOM 0 HE21 GLN A 65 16.655 -26.142 0.371 1.00 30.23 H new ATOM 0 HE22 GLN A 65 17.491 -25.633 1.842 1.00 30.23 H new ATOM 1036 N PRO A 66 10.941 -27.615 2.693 1.00 2.32 N ATOM 1037 CA PRO A 66 10.468 -28.823 3.375 1.00 51.01 C ATOM 1038 C PRO A 66 9.155 -29.339 2.794 1.00 4.34 C ATOM 1039 O PRO A 66 8.774 -30.487 3.023 1.00 62.43 O ATOM 1040 CB PRO A 66 10.267 -28.359 4.820 1.00 51.31 C ATOM 1041 CG PRO A 66 10.026 -26.892 4.717 1.00 2.40 C ATOM 1042 CD PRO A 66 10.845 -26.419 3.547 1.00 41.22 C ATOM 0 HA PRO A 66 11.170 -29.651 3.272 1.00 51.01 H new ATOM 0 HB2 PRO A 66 9.422 -28.867 5.285 1.00 51.31 H new ATOM 0 HB3 PRO A 66 11.144 -28.574 5.431 1.00 51.31 H new ATOM 0 HG2 PRO A 66 8.968 -26.680 4.564 1.00 2.40 H new ATOM 0 HG3 PRO A 66 10.324 -26.382 5.633 1.00 2.40 H new ATOM 0 HD2 PRO A 66 10.363 -25.591 3.027 1.00 41.22 H new ATOM 0 HD3 PRO A 66 11.829 -26.069 3.860 1.00 41.22 H new ATOM 1050 N SER A 67 8.470 -28.484 2.041 1.00 33.55 N ATOM 1051 CA SER A 67 7.198 -28.854 1.431 1.00 34.12 C ATOM 1052 C SER A 67 7.422 -29.628 0.135 1.00 33.15 C ATOM 1053 O SER A 67 6.584 -30.431 -0.275 1.00 31.51 O ATOM 1054 CB SER A 67 6.359 -27.606 1.154 1.00 15.21 C ATOM 1055 OG SER A 67 6.034 -26.932 2.359 1.00 1.30 O ATOM 0 H SER A 67 8.774 -27.532 1.839 1.00 33.55 H new ATOM 0 HA SER A 67 6.661 -29.496 2.129 1.00 34.12 H new ATOM 0 HB2 SER A 67 6.908 -26.934 0.494 1.00 15.21 H new ATOM 0 HB3 SER A 67 5.444 -27.887 0.633 1.00 15.21 H new ATOM 0 HG SER A 67 6.763 -26.322 2.600 1.00 1.30 H new ATOM 1061 N LEU A 68 8.559 -29.379 -0.505 1.00 52.12 N ATOM 1062 CA LEU A 68 8.896 -30.051 -1.756 1.00 33.13 C ATOM 1063 C LEU A 68 8.788 -31.565 -1.606 1.00 74.43 C ATOM 1064 O LEU A 68 8.479 -32.272 -2.566 1.00 34.34 O ATOM 1065 CB LEU A 68 10.310 -29.670 -2.197 1.00 31.11 C ATOM 1066 CG LEU A 68 10.473 -28.272 -2.795 1.00 23.20 C ATOM 1067 CD1 LEU A 68 11.812 -27.673 -2.394 1.00 23.45 C ATOM 1068 CD2 LEU A 68 10.341 -28.321 -4.310 1.00 71.00 C ATOM 0 H LEU A 68 9.263 -28.717 -0.179 1.00 52.12 H new ATOM 0 HA LEU A 68 8.186 -29.728 -2.517 1.00 33.13 H new ATOM 0 HB2 LEU A 68 10.973 -29.754 -1.336 1.00 31.11 H new ATOM 0 HB3 LEU A 68 10.649 -30.400 -2.933 1.00 31.11 H new ATOM 0 HG LEU A 68 9.681 -27.635 -2.402 1.00 23.20 H new ATOM 0 HD11 LEU A 68 11.910 -26.678 -2.829 1.00 23.45 H new ATOM 0 HD12 LEU A 68 11.868 -27.602 -1.308 1.00 23.45 H new ATOM 0 HD13 LEU A 68 12.619 -28.309 -2.758 1.00 23.45 H new ATOM 0 HD21 LEU A 68 10.460 -27.317 -4.718 1.00 71.00 H new ATOM 0 HD22 LEU A 68 11.111 -28.974 -4.721 1.00 71.00 H new ATOM 0 HD23 LEU A 68 9.357 -28.707 -4.577 1.00 71.00 H new ATOM 1080 N GLN A 69 9.042 -32.055 -0.397 1.00 5.24 N ATOM 1081 CA GLN A 69 8.972 -33.485 -0.122 1.00 41.10 C ATOM 1082 C GLN A 69 7.584 -34.033 -0.439 1.00 0.14 C ATOM 1083 O GLN A 69 7.446 -35.063 -1.099 1.00 61.23 O ATOM 1084 CB GLN A 69 9.321 -33.763 1.341 1.00 22.21 C ATOM 1085 CG GLN A 69 10.320 -34.894 1.524 1.00 50.05 C ATOM 1086 CD GLN A 69 9.650 -36.224 1.805 1.00 31.40 C ATOM 1087 OE1 GLN A 69 8.614 -36.547 1.222 1.00 11.03 O ATOM 1088 NE2 GLN A 69 10.239 -37.007 2.702 1.00 54.31 N ATOM 0 H GLN A 69 9.298 -31.483 0.408 1.00 5.24 H new ATOM 0 HA GLN A 69 9.697 -33.988 -0.762 1.00 41.10 H new ATOM 0 HB2 GLN A 69 9.727 -32.855 1.788 1.00 22.21 H new ATOM 0 HB3 GLN A 69 8.407 -34.005 1.884 1.00 22.21 H new ATOM 0 HG2 GLN A 69 10.932 -34.982 0.626 1.00 50.05 H new ATOM 0 HG3 GLN A 69 10.993 -34.650 2.346 1.00 50.05 H new ATOM 0 HE21 GLN A 69 11.096 -36.701 3.162 1.00 54.31 H new ATOM 0 HE22 GLN A 69 9.834 -37.915 2.931 1.00 54.31 H new ATOM 1097 N THR A 70 6.556 -33.336 0.037 1.00 21.32 N ATOM 1098 CA THR A 70 5.178 -33.754 -0.193 1.00 2.12 C ATOM 1099 C THR A 70 4.385 -32.662 -0.904 1.00 24.34 C ATOM 1100 O THR A 70 3.229 -32.405 -0.570 1.00 4.45 O ATOM 1101 CB THR A 70 4.471 -34.110 1.128 1.00 53.04 C ATOM 1102 OG1 THR A 70 4.590 -33.025 2.055 1.00 33.23 O ATOM 1103 CG2 THR A 70 5.064 -35.372 1.736 1.00 33.10 C ATOM 0 H THR A 70 6.652 -32.480 0.584 1.00 21.32 H new ATOM 0 HA THR A 70 5.217 -34.641 -0.825 1.00 2.12 H new ATOM 0 HB THR A 70 3.417 -34.290 0.914 1.00 53.04 H new ATOM 0 HG1 THR A 70 4.136 -33.258 2.892 1.00 33.23 H new ATOM 0 HG21 THR A 70 4.549 -35.604 2.668 1.00 33.10 H new ATOM 0 HG22 THR A 70 4.945 -36.202 1.040 1.00 33.10 H new ATOM 0 HG23 THR A 70 6.124 -35.216 1.936 1.00 33.10 H new ATOM 1111 N GLY A 71 5.014 -32.024 -1.885 1.00 42.15 N ATOM 1112 CA GLY A 71 4.351 -30.968 -2.628 1.00 51.33 C ATOM 1113 C GLY A 71 3.906 -31.419 -4.005 1.00 61.12 C ATOM 1114 O GLY A 71 4.361 -32.446 -4.507 1.00 30.54 O ATOM 0 H GLY A 71 5.971 -32.219 -2.179 1.00 42.15 H new ATOM 0 HA2 GLY A 71 3.484 -30.621 -2.065 1.00 51.33 H new ATOM 0 HA3 GLY A 71 5.027 -30.119 -2.728 1.00 51.33 H new ATOM 1118 N SER A 72 3.012 -30.649 -4.617 1.00 65.13 N ATOM 1119 CA SER A 72 2.500 -30.979 -5.943 1.00 1.31 C ATOM 1120 C SER A 72 3.073 -30.035 -6.996 1.00 31.14 C ATOM 1121 O SER A 72 3.948 -29.220 -6.704 1.00 11.23 O ATOM 1122 CB SER A 72 0.971 -30.907 -5.955 1.00 3.25 C ATOM 1123 OG SER A 72 0.524 -29.564 -5.892 1.00 30.32 O ATOM 0 H SER A 72 2.627 -29.793 -4.217 1.00 65.13 H new ATOM 0 HA SER A 72 2.811 -31.996 -6.183 1.00 1.31 H new ATOM 0 HB2 SER A 72 0.589 -31.379 -6.860 1.00 3.25 H new ATOM 0 HB3 SER A 72 0.571 -31.467 -5.110 1.00 3.25 H new ATOM 0 HG SER A 72 -0.402 -29.512 -6.210 1.00 30.32 H new ATOM 1129 N GLU A 73 2.572 -30.152 -8.222 1.00 4.01 N ATOM 1130 CA GLU A 73 3.035 -29.311 -9.319 1.00 42.43 C ATOM 1131 C GLU A 73 2.967 -27.834 -8.938 1.00 2.31 C ATOM 1132 O GLU A 73 3.843 -27.049 -9.300 1.00 41.24 O ATOM 1133 CB GLU A 73 2.196 -29.563 -10.573 1.00 41.25 C ATOM 1134 CG GLU A 73 2.976 -30.207 -11.708 1.00 14.32 C ATOM 1135 CD GLU A 73 3.054 -31.716 -11.579 1.00 72.45 C ATOM 1136 OE1 GLU A 73 2.417 -32.267 -10.658 1.00 54.03 O1- ATOM 1137 OE2 GLU A 73 3.750 -32.346 -12.403 1.00 3.22 O ATOM 0 H GLU A 73 1.846 -30.821 -8.480 1.00 4.01 H new ATOM 0 HA GLU A 73 4.074 -29.568 -9.527 1.00 42.43 H new ATOM 0 HB2 GLU A 73 1.353 -30.203 -10.313 1.00 41.25 H new ATOM 0 HB3 GLU A 73 1.782 -28.616 -10.919 1.00 41.25 H new ATOM 0 HG2 GLU A 73 2.506 -29.951 -12.658 1.00 14.32 H new ATOM 0 HG3 GLU A 73 3.985 -29.795 -11.730 1.00 14.32 H new ATOM 1144 N GLU A 74 1.922 -27.465 -8.204 1.00 62.22 N ATOM 1145 CA GLU A 74 1.740 -26.084 -7.775 1.00 70.01 C ATOM 1146 C GLU A 74 2.922 -25.615 -6.932 1.00 22.14 C ATOM 1147 O GLU A 74 3.369 -24.474 -7.048 1.00 50.12 O ATOM 1148 CB GLU A 74 0.442 -25.941 -6.978 1.00 2.01 C ATOM 1149 CG GLU A 74 -0.807 -26.242 -7.789 1.00 73.30 C ATOM 1150 CD GLU A 74 -1.881 -26.933 -6.971 1.00 62.30 C ATOM 1151 OE1 GLU A 74 -1.585 -27.989 -6.373 1.00 74.02 O1- ATOM 1152 OE2 GLU A 74 -3.017 -26.417 -6.929 1.00 34.41 O ATOM 0 H GLU A 74 1.189 -28.103 -7.894 1.00 62.22 H new ATOM 0 HA GLU A 74 1.681 -25.459 -8.666 1.00 70.01 H new ATOM 0 HB2 GLU A 74 0.477 -26.611 -6.119 1.00 2.01 H new ATOM 0 HB3 GLU A 74 0.375 -24.926 -6.588 1.00 2.01 H new ATOM 0 HG2 GLU A 74 -1.206 -25.312 -8.194 1.00 73.30 H new ATOM 0 HG3 GLU A 74 -0.541 -26.871 -8.638 1.00 73.30 H new ATOM 1159 N LEU A 75 3.424 -26.505 -6.082 1.00 4.02 N ATOM 1160 CA LEU A 75 4.554 -26.185 -5.218 1.00 1.53 C ATOM 1161 C LEU A 75 5.860 -26.181 -6.007 1.00 41.23 C ATOM 1162 O LEU A 75 6.784 -25.430 -5.695 1.00 12.43 O ATOM 1163 CB LEU A 75 4.643 -27.188 -4.068 1.00 22.40 C ATOM 1164 CG LEU A 75 5.173 -26.644 -2.741 1.00 22.43 C ATOM 1165 CD1 LEU A 75 4.312 -27.128 -1.584 1.00 14.11 C ATOM 1166 CD2 LEU A 75 6.624 -27.057 -2.537 1.00 14.51 C ATOM 0 H LEU A 75 3.066 -27.454 -5.973 1.00 4.02 H new ATOM 0 HA LEU A 75 4.395 -25.187 -4.810 1.00 1.53 H new ATOM 0 HB2 LEU A 75 3.650 -27.603 -3.897 1.00 22.40 H new ATOM 0 HB3 LEU A 75 5.283 -28.013 -4.381 1.00 22.40 H new ATOM 0 HG LEU A 75 5.126 -25.555 -2.772 1.00 22.43 H new ATOM 0 HD11 LEU A 75 4.704 -26.731 -0.648 1.00 14.11 H new ATOM 0 HD12 LEU A 75 3.288 -26.783 -1.724 1.00 14.11 H new ATOM 0 HD13 LEU A 75 4.327 -28.217 -1.551 1.00 14.11 H new ATOM 0 HD21 LEU A 75 6.985 -26.661 -1.588 1.00 14.51 H new ATOM 0 HD22 LEU A 75 6.695 -28.145 -2.527 1.00 14.51 H new ATOM 0 HD23 LEU A 75 7.233 -26.661 -3.350 1.00 14.51 H new ATOM 1178 N ARG A 76 5.928 -27.023 -7.033 1.00 72.35 N ATOM 1179 CA ARG A 76 7.119 -27.116 -7.868 1.00 74.50 C ATOM 1180 C ARG A 76 7.316 -25.838 -8.679 1.00 33.54 C ATOM 1181 O ARG A 76 8.406 -25.268 -8.700 1.00 4.42 O ATOM 1182 CB ARG A 76 7.016 -28.318 -8.808 1.00 24.42 C ATOM 1183 CG ARG A 76 8.210 -29.255 -8.732 1.00 23.40 C ATOM 1184 CD ARG A 76 8.029 -30.463 -9.637 1.00 22.23 C ATOM 1185 NE ARG A 76 6.793 -31.185 -9.347 1.00 54.13 N ATOM 1186 CZ ARG A 76 6.616 -31.937 -8.267 1.00 64.21 C ATOM 1187 NH1 ARG A 76 7.593 -32.068 -7.380 1.00 53.44 N1+ ATOM 1188 NH2 ARG A 76 5.461 -32.562 -8.074 1.00 24.33 N ATOM 0 H ARG A 76 5.172 -27.651 -7.306 1.00 72.35 H new ATOM 0 HA ARG A 76 7.981 -27.247 -7.214 1.00 74.50 H new ATOM 0 HB2 ARG A 76 6.111 -28.877 -8.571 1.00 24.42 H new ATOM 0 HB3 ARG A 76 6.911 -27.960 -9.832 1.00 24.42 H new ATOM 0 HG2 ARG A 76 9.114 -28.718 -9.017 1.00 23.40 H new ATOM 0 HG3 ARG A 76 8.348 -29.587 -7.703 1.00 23.40 H new ATOM 0 HD2 ARG A 76 8.023 -30.139 -10.678 1.00 22.23 H new ATOM 0 HD3 ARG A 76 8.878 -31.136 -9.517 1.00 22.23 H new ATOM 0 HE ARG A 76 6.023 -31.107 -10.011 1.00 54.13 H new ATOM 0 HH11 ARG A 76 8.482 -31.591 -7.527 1.00 53.44 H new ATOM 0 HH12 ARG A 76 7.455 -32.646 -6.551 1.00 53.44 H new ATOM 0 HH21 ARG A 76 4.708 -32.465 -8.756 1.00 24.33 H new ATOM 0 HH22 ARG A 76 5.326 -33.139 -7.244 1.00 24.33 H new ATOM 1202 N SER A 77 6.254 -25.395 -9.343 1.00 0.21 N ATOM 1203 CA SER A 77 6.312 -24.188 -10.158 1.00 41.43 C ATOM 1204 C SER A 77 6.807 -23.001 -9.338 1.00 34.15 C ATOM 1205 O SER A 77 7.625 -22.206 -9.803 1.00 52.02 O ATOM 1206 CB SER A 77 4.933 -23.877 -10.745 1.00 5.35 C ATOM 1207 OG SER A 77 4.726 -24.578 -11.959 1.00 43.53 O ATOM 0 H SER A 77 5.343 -25.854 -9.333 1.00 0.21 H new ATOM 0 HA SER A 77 7.015 -24.363 -10.972 1.00 41.43 H new ATOM 0 HB2 SER A 77 4.159 -24.149 -10.028 1.00 5.35 H new ATOM 0 HB3 SER A 77 4.842 -22.805 -10.920 1.00 5.35 H new ATOM 0 HG SER A 77 3.838 -24.364 -12.313 1.00 43.53 H new ATOM 1213 N LEU A 78 6.306 -22.887 -8.112 1.00 32.31 N ATOM 1214 CA LEU A 78 6.695 -21.798 -7.224 1.00 24.02 C ATOM 1215 C LEU A 78 8.201 -21.809 -6.977 1.00 62.04 C ATOM 1216 O LEU A 78 8.892 -20.826 -7.245 1.00 34.24 O ATOM 1217 CB LEU A 78 5.949 -21.905 -5.894 1.00 34.22 C ATOM 1218 CG LEU A 78 4.781 -20.937 -5.699 1.00 5.22 C ATOM 1219 CD1 LEU A 78 5.255 -19.498 -5.826 1.00 31.00 C ATOM 1220 CD2 LEU A 78 3.675 -21.226 -6.702 1.00 71.45 C ATOM 0 H LEU A 78 5.629 -23.536 -7.711 1.00 32.31 H new ATOM 0 HA LEU A 78 6.430 -20.857 -7.707 1.00 24.02 H new ATOM 0 HB2 LEU A 78 5.572 -22.923 -5.793 1.00 34.22 H new ATOM 0 HB3 LEU A 78 6.664 -21.748 -5.086 1.00 34.22 H new ATOM 0 HG LEU A 78 4.380 -21.079 -4.696 1.00 5.22 H new ATOM 0 HD11 LEU A 78 4.411 -18.823 -5.684 1.00 31.00 H new ATOM 0 HD12 LEU A 78 6.012 -19.296 -5.068 1.00 31.00 H new ATOM 0 HD13 LEU A 78 5.682 -19.342 -6.816 1.00 31.00 H new ATOM 0 HD21 LEU A 78 2.853 -20.527 -6.548 1.00 71.45 H new ATOM 0 HD22 LEU A 78 4.063 -21.112 -7.714 1.00 71.45 H new ATOM 0 HD23 LEU A 78 3.316 -22.246 -6.564 1.00 71.45 H new ATOM 1232 N TYR A 79 8.703 -22.929 -6.468 1.00 14.34 N ATOM 1233 CA TYR A 79 10.126 -23.067 -6.184 1.00 31.34 C ATOM 1234 C TYR A 79 10.963 -22.712 -7.409 1.00 74.13 C ATOM 1235 O TYR A 79 12.089 -22.232 -7.287 1.00 12.21 O ATOM 1236 CB TYR A 79 10.441 -24.496 -5.735 1.00 72.20 C ATOM 1237 CG TYR A 79 11.551 -24.578 -4.713 1.00 35.23 C ATOM 1238 CD1 TYR A 79 11.443 -23.930 -3.488 1.00 20.15 C ATOM 1239 CD2 TYR A 79 12.707 -25.304 -4.970 1.00 11.54 C ATOM 1240 CE1 TYR A 79 12.456 -24.002 -2.550 1.00 34.00 C ATOM 1241 CE2 TYR A 79 13.724 -25.382 -4.037 1.00 73.32 C ATOM 1242 CZ TYR A 79 13.593 -24.729 -2.829 1.00 64.53 C ATOM 1243 OH TYR A 79 14.604 -24.804 -1.898 1.00 65.42 O ATOM 0 H TYR A 79 8.146 -23.753 -6.244 1.00 14.34 H new ATOM 0 HA TYR A 79 10.379 -22.375 -5.380 1.00 31.34 H new ATOM 0 HB2 TYR A 79 9.539 -24.944 -5.317 1.00 72.20 H new ATOM 0 HB3 TYR A 79 10.716 -25.089 -6.607 1.00 72.20 H new ATOM 0 HD1 TYR A 79 10.553 -23.361 -3.265 1.00 20.15 H new ATOM 0 HD2 TYR A 79 12.813 -25.816 -5.915 1.00 11.54 H new ATOM 0 HE1 TYR A 79 12.357 -23.491 -1.604 1.00 34.00 H new ATOM 0 HE2 TYR A 79 14.616 -25.951 -4.253 1.00 73.32 H new ATOM 0 HH TYR A 79 15.333 -25.356 -2.251 1.00 65.42 H new ATOM 1253 N ASN A 80 10.402 -22.951 -8.590 1.00 4.32 N ATOM 1254 CA ASN A 80 11.095 -22.655 -9.839 1.00 21.41 C ATOM 1255 C ASN A 80 11.217 -21.150 -10.051 1.00 12.22 C ATOM 1256 O ASN A 80 12.319 -20.616 -10.181 1.00 31.24 O ATOM 1257 CB ASN A 80 10.357 -23.290 -11.019 1.00 75.20 C ATOM 1258 CG ASN A 80 10.981 -24.601 -11.454 1.00 44.15 C ATOM 1259 OD1 ASN A 80 11.274 -25.467 -10.630 1.00 51.40 O ATOM 1260 ND2 ASN A 80 11.189 -24.753 -12.757 1.00 41.35 N ATOM 0 H ASN A 80 9.470 -23.349 -8.708 1.00 4.32 H new ATOM 0 HA ASN A 80 12.098 -23.077 -9.777 1.00 21.41 H new ATOM 0 HB2 ASN A 80 9.316 -23.460 -10.744 1.00 75.20 H new ATOM 0 HB3 ASN A 80 10.355 -22.595 -11.859 1.00 75.20 H new ATOM 0 HD21 ASN A 80 11.607 -25.614 -13.110 1.00 41.35 H new ATOM 0 HD22 ASN A 80 10.931 -24.009 -13.405 1.00 41.35 H new ATOM 1267 N THR A 81 10.076 -20.468 -10.085 1.00 33.14 N ATOM 1268 CA THR A 81 10.053 -19.024 -10.282 1.00 22.43 C ATOM 1269 C THR A 81 10.775 -18.303 -9.149 1.00 23.14 C ATOM 1270 O THR A 81 11.680 -17.504 -9.387 1.00 54.42 O ATOM 1271 CB THR A 81 8.610 -18.492 -10.375 1.00 64.41 C ATOM 1272 OG1 THR A 81 7.882 -19.224 -11.369 1.00 31.24 O ATOM 1273 CG2 THR A 81 8.601 -17.011 -10.721 1.00 23.30 C ATOM 0 H THR A 81 9.155 -20.893 -9.979 1.00 33.14 H new ATOM 0 HA THR A 81 10.567 -18.826 -11.222 1.00 22.43 H new ATOM 0 HB THR A 81 8.133 -18.625 -9.404 1.00 64.41 H new ATOM 0 HG1 THR A 81 6.965 -18.882 -11.421 1.00 31.24 H new ATOM 0 HG21 THR A 81 7.572 -16.658 -10.781 1.00 23.30 H new ATOM 0 HG22 THR A 81 9.131 -16.454 -9.949 1.00 23.30 H new ATOM 0 HG23 THR A 81 9.094 -16.859 -11.681 1.00 23.30 H new ATOM 1281 N ILE A 82 10.370 -18.593 -7.917 1.00 22.24 N ATOM 1282 CA ILE A 82 10.982 -17.974 -6.747 1.00 54.41 C ATOM 1283 C ILE A 82 12.498 -18.127 -6.773 1.00 2.32 C ATOM 1284 O ILE A 82 13.230 -17.234 -6.345 1.00 74.33 O ATOM 1285 CB ILE A 82 10.439 -18.581 -5.440 1.00 54.12 C ATOM 1286 CG1 ILE A 82 8.919 -18.414 -5.367 1.00 45.33 C ATOM 1287 CG2 ILE A 82 11.105 -17.932 -4.237 1.00 4.42 C ATOM 1288 CD1 ILE A 82 8.258 -19.332 -4.363 1.00 44.25 C ATOM 0 H ILE A 82 9.621 -19.252 -7.703 1.00 22.24 H new ATOM 0 HA ILE A 82 10.726 -16.915 -6.781 1.00 54.41 H new ATOM 0 HB ILE A 82 10.671 -19.646 -5.429 1.00 54.12 H new ATOM 0 HG12 ILE A 82 8.687 -17.380 -5.110 1.00 45.33 H new ATOM 0 HG13 ILE A 82 8.493 -18.600 -6.353 1.00 45.33 H new ATOM 0 HG21 ILE A 82 10.710 -18.372 -3.321 1.00 4.42 H new ATOM 0 HG22 ILE A 82 12.181 -18.097 -4.284 1.00 4.42 H new ATOM 0 HG23 ILE A 82 10.901 -16.861 -4.242 1.00 4.42 H new ATOM 0 HD11 ILE A 82 7.182 -19.159 -4.365 1.00 44.25 H new ATOM 0 HD12 ILE A 82 8.459 -20.369 -4.631 1.00 44.25 H new ATOM 0 HD13 ILE A 82 8.656 -19.130 -3.368 1.00 44.25 H new ATOM 1300 N ALA A 83 12.964 -19.263 -7.281 1.00 2.35 N ATOM 1301 CA ALA A 83 14.395 -19.531 -7.367 1.00 72.01 C ATOM 1302 C ALA A 83 15.085 -18.538 -8.296 1.00 64.21 C ATOM 1303 O ALA A 83 15.945 -17.767 -7.869 1.00 74.42 O ATOM 1304 CB ALA A 83 14.637 -20.957 -7.841 1.00 51.45 C ATOM 0 H ALA A 83 12.372 -20.012 -7.639 1.00 2.35 H new ATOM 0 HA ALA A 83 14.822 -19.413 -6.371 1.00 72.01 H new ATOM 0 HB1 ALA A 83 15.709 -21.144 -7.901 1.00 51.45 H new ATOM 0 HB2 ALA A 83 14.186 -21.656 -7.137 1.00 51.45 H new ATOM 0 HB3 ALA A 83 14.190 -21.094 -8.825 1.00 51.45 H new ATOM 1310 N VAL A 84 14.704 -18.563 -9.569 1.00 54.33 N ATOM 1311 CA VAL A 84 15.285 -17.664 -10.559 1.00 0.04 C ATOM 1312 C VAL A 84 15.214 -16.214 -10.093 1.00 44.43 C ATOM 1313 O VAL A 84 16.135 -15.429 -10.327 1.00 21.32 O ATOM 1314 CB VAL A 84 14.573 -17.789 -11.918 1.00 64.44 C ATOM 1315 CG1 VAL A 84 15.180 -16.830 -12.931 1.00 13.34 C ATOM 1316 CG2 VAL A 84 14.641 -19.223 -12.424 1.00 21.00 C ATOM 0 H VAL A 84 13.995 -19.196 -9.939 1.00 54.33 H new ATOM 0 HA VAL A 84 16.329 -17.955 -10.676 1.00 0.04 H new ATOM 0 HB VAL A 84 13.525 -17.522 -11.784 1.00 64.44 H new ATOM 0 HG11 VAL A 84 14.663 -16.933 -13.885 1.00 13.34 H new ATOM 0 HG12 VAL A 84 15.076 -15.806 -12.571 1.00 13.34 H new ATOM 0 HG13 VAL A 84 16.237 -17.062 -13.064 1.00 13.34 H new ATOM 0 HG21 VAL A 84 14.133 -19.294 -13.386 1.00 21.00 H new ATOM 0 HG22 VAL A 84 15.684 -19.518 -12.542 1.00 21.00 H new ATOM 0 HG23 VAL A 84 14.155 -19.885 -11.707 1.00 21.00 H new ATOM 1326 N LEU A 85 14.116 -15.863 -9.433 1.00 52.11 N ATOM 1327 CA LEU A 85 13.924 -14.506 -8.934 1.00 31.35 C ATOM 1328 C LEU A 85 14.887 -14.206 -7.788 1.00 24.03 C ATOM 1329 O LEU A 85 15.634 -13.228 -7.831 1.00 40.14 O ATOM 1330 CB LEU A 85 12.481 -14.313 -8.465 1.00 53.11 C ATOM 1331 CG LEU A 85 11.905 -12.906 -8.629 1.00 34.05 C ATOM 1332 CD1 LEU A 85 10.729 -12.920 -9.592 1.00 54.24 C ATOM 1333 CD2 LEU A 85 11.484 -12.343 -7.279 1.00 13.10 C ATOM 0 H LEU A 85 13.345 -16.499 -9.231 1.00 52.11 H new ATOM 0 HA LEU A 85 14.130 -13.813 -9.750 1.00 31.35 H new ATOM 0 HB2 LEU A 85 11.846 -15.010 -9.012 1.00 53.11 H new ATOM 0 HB3 LEU A 85 12.423 -14.588 -7.412 1.00 53.11 H new ATOM 0 HG LEU A 85 12.680 -12.262 -9.044 1.00 34.05 H new ATOM 0 HD11 LEU A 85 10.332 -11.910 -9.696 1.00 54.24 H new ATOM 0 HD12 LEU A 85 11.060 -13.282 -10.565 1.00 54.24 H new ATOM 0 HD13 LEU A 85 9.950 -13.578 -9.206 1.00 54.24 H new ATOM 0 HD21 LEU A 85 11.076 -11.341 -7.414 1.00 13.10 H new ATOM 0 HD22 LEU A 85 10.724 -12.988 -6.837 1.00 13.10 H new ATOM 0 HD23 LEU A 85 12.350 -12.297 -6.618 1.00 13.10 H new ATOM 1345 N TYR A 86 14.866 -15.056 -6.768 1.00 33.13 N ATOM 1346 CA TYR A 86 15.737 -14.882 -5.610 1.00 50.31 C ATOM 1347 C TYR A 86 17.190 -14.718 -6.043 1.00 41.41 C ATOM 1348 O TYR A 86 17.888 -13.812 -5.584 1.00 63.13 O ATOM 1349 CB TYR A 86 15.606 -16.076 -4.664 1.00 32.15 C ATOM 1350 CG TYR A 86 16.619 -16.072 -3.541 1.00 63.20 C ATOM 1351 CD1 TYR A 86 16.461 -15.241 -2.439 1.00 32.24 C ATOM 1352 CD2 TYR A 86 17.733 -16.900 -3.582 1.00 20.45 C ATOM 1353 CE1 TYR A 86 17.384 -15.234 -1.411 1.00 43.11 C ATOM 1354 CE2 TYR A 86 18.661 -16.901 -2.558 1.00 21.13 C ATOM 1355 CZ TYR A 86 18.482 -16.065 -1.475 1.00 22.41 C ATOM 1356 OH TYR A 86 19.403 -16.063 -0.453 1.00 10.40 O ATOM 0 H TYR A 86 14.256 -15.872 -6.719 1.00 33.13 H new ATOM 0 HA TYR A 86 15.428 -13.977 -5.086 1.00 50.31 H new ATOM 0 HB2 TYR A 86 14.603 -16.083 -4.237 1.00 32.15 H new ATOM 0 HB3 TYR A 86 15.715 -16.997 -5.237 1.00 32.15 H new ATOM 0 HD1 TYR A 86 15.602 -14.589 -2.385 1.00 32.24 H new ATOM 0 HD2 TYR A 86 17.877 -17.555 -4.429 1.00 20.45 H new ATOM 0 HE1 TYR A 86 17.246 -14.581 -0.562 1.00 43.11 H new ATOM 0 HE2 TYR A 86 19.521 -17.552 -2.605 1.00 21.13 H new ATOM 0 HH TYR A 86 20.115 -16.706 -0.653 1.00 10.40 H new ATOM 1366 N CYS A 87 17.640 -15.600 -6.928 1.00 43.31 N ATOM 1367 CA CYS A 87 19.012 -15.553 -7.424 1.00 63.34 C ATOM 1368 C CYS A 87 19.356 -14.161 -7.943 1.00 30.13 C ATOM 1369 O CYS A 87 20.447 -13.648 -7.696 1.00 43.43 O ATOM 1370 CB CYS A 87 19.209 -16.588 -8.533 1.00 44.13 C ATOM 1371 SG CYS A 87 19.870 -18.171 -7.958 1.00 14.53 S ATOM 0 H CYS A 87 17.076 -16.356 -7.317 1.00 43.31 H new ATOM 0 HA CYS A 87 19.681 -15.786 -6.595 1.00 63.34 H new ATOM 0 HB2 CYS A 87 18.253 -16.763 -9.025 1.00 44.13 H new ATOM 0 HB3 CYS A 87 19.883 -16.176 -9.284 1.00 44.13 H new ATOM 0 HG CYS A 87 19.999 -18.980 -8.968 1.00 14.53 H new ATOM 1377 N VAL A 88 18.419 -13.556 -8.664 1.00 70.12 N ATOM 1378 CA VAL A 88 18.622 -12.223 -9.219 1.00 42.21 C ATOM 1379 C VAL A 88 18.946 -11.214 -8.122 1.00 24.53 C ATOM 1380 O VAL A 88 19.805 -10.348 -8.294 1.00 23.42 O ATOM 1381 CB VAL A 88 17.381 -11.741 -9.993 1.00 61.31 C ATOM 1382 CG1 VAL A 88 17.636 -10.376 -10.615 1.00 32.51 C ATOM 1383 CG2 VAL A 88 16.990 -12.756 -11.057 1.00 42.45 C ATOM 0 H VAL A 88 17.511 -13.968 -8.878 1.00 70.12 H new ATOM 0 HA VAL A 88 19.465 -12.292 -9.906 1.00 42.21 H new ATOM 0 HB VAL A 88 16.552 -11.645 -9.292 1.00 61.31 H new ATOM 0 HG11 VAL A 88 16.748 -10.052 -11.158 1.00 32.51 H new ATOM 0 HG12 VAL A 88 17.865 -9.655 -9.830 1.00 32.51 H new ATOM 0 HG13 VAL A 88 18.478 -10.442 -11.304 1.00 32.51 H new ATOM 0 HG21 VAL A 88 16.111 -12.400 -11.594 1.00 42.45 H new ATOM 0 HG22 VAL A 88 17.815 -12.886 -11.757 1.00 42.45 H new ATOM 0 HG23 VAL A 88 16.763 -13.711 -10.583 1.00 42.45 H new ATOM 1393 N HIS A 89 18.255 -11.334 -6.994 1.00 13.45 N ATOM 1394 CA HIS A 89 18.469 -10.433 -5.865 1.00 44.05 C ATOM 1395 C HIS A 89 19.731 -10.817 -5.098 1.00 44.41 C ATOM 1396 O HIS A 89 20.227 -9.962 -4.363 1.00 61.33 O ATOM 1397 CB HIS A 89 17.262 -10.459 -4.928 1.00 41.03 C ATOM 1398 CG HIS A 89 15.973 -10.100 -5.603 1.00 31.03 C ATOM 1399 ND1 HIS A 89 15.905 -9.286 -6.713 1.00 21.34 N ATOM 1400 CD2 HIS A 89 14.697 -10.452 -5.318 1.00 15.55 C ATOM 1401 CE1 HIS A 89 14.644 -9.152 -7.081 1.00 74.22 C ATOM 1402 NE2 HIS A 89 13.891 -9.850 -6.251 1.00 33.01 N ATOM 0 H HIS A 89 17.542 -12.046 -6.836 1.00 13.45 H new ATOM 0 HA HIS A 89 18.594 -9.423 -6.256 1.00 44.05 H new ATOM 0 HB2 HIS A 89 17.171 -11.455 -4.494 1.00 41.03 H new ATOM 0 HB3 HIS A 89 17.437 -9.767 -4.104 1.00 41.03 H new ATOM 0 HD2 HIS A 89 14.374 -11.088 -4.507 1.00 15.55 H new ATOM 0 HE1 HIS A 89 14.289 -8.570 -7.919 1.00 74.22 H new ATOM 0 HE2 HIS A 89 12.875 -9.929 -6.296 1.00 33.01 H new ATOM 1411 N GLN A 90 20.245 -12.033 -5.244 1.00 22.34 N ATOM 1412 CA GLN A 90 21.450 -12.444 -4.531 1.00 15.21 C ATOM 1413 C GLN A 90 22.684 -12.289 -5.413 1.00 34.22 C ATOM 1414 O GLN A 90 23.683 -12.984 -5.225 1.00 11.20 O ATOM 1415 CB GLN A 90 21.321 -13.895 -4.063 1.00 54.14 C ATOM 1416 CG GLN A 90 21.633 -14.089 -2.588 1.00 3.14 C ATOM 1417 CD GLN A 90 22.934 -14.835 -2.361 1.00 35.44 C ATOM 1418 OE1 GLN A 90 22.966 -16.066 -2.374 1.00 12.34 O ATOM 1419 NE2 GLN A 90 24.014 -14.092 -2.150 1.00 34.50 N ATOM 0 H GLN A 90 19.847 -12.751 -5.849 1.00 22.34 H new ATOM 0 HA GLN A 90 21.565 -11.798 -3.661 1.00 15.21 H new ATOM 0 HB2 GLN A 90 20.307 -14.243 -4.260 1.00 54.14 H new ATOM 0 HB3 GLN A 90 21.992 -14.519 -4.653 1.00 54.14 H new ATOM 0 HG2 GLN A 90 21.687 -13.116 -2.101 1.00 3.14 H new ATOM 0 HG3 GLN A 90 20.817 -14.637 -2.117 1.00 3.14 H new ATOM 0 HE21 GLN A 90 23.941 -13.075 -2.148 1.00 34.50 H new ATOM 0 HE22 GLN A 90 24.917 -14.539 -1.990 1.00 34.50 H new ATOM 1428 N ARG A 91 22.608 -11.374 -6.373 1.00 71.41 N ATOM 1429 CA ARG A 91 23.719 -11.130 -7.285 1.00 12.13 C ATOM 1430 C ARG A 91 24.071 -12.393 -8.065 1.00 74.03 C ATOM 1431 O ARG A 91 25.244 -12.681 -8.302 1.00 53.10 O ATOM 1432 CB ARG A 91 24.943 -10.639 -6.510 1.00 11.34 C ATOM 1433 CG ARG A 91 25.764 -9.603 -7.261 1.00 1.34 C ATOM 1434 CD ARG A 91 25.726 -8.251 -6.566 1.00 20.23 C ATOM 1435 NE ARG A 91 26.269 -7.187 -7.407 1.00 63.20 N ATOM 1436 CZ ARG A 91 27.561 -7.060 -7.689 1.00 30.00 C ATOM 1437 NH1 ARG A 91 28.438 -7.926 -7.199 1.00 21.15 N1+ ATOM 1438 NH2 ARG A 91 27.978 -6.067 -8.462 1.00 11.50 N ATOM 0 H ARG A 91 21.789 -10.789 -6.540 1.00 71.41 H new ATOM 0 HA ARG A 91 23.412 -10.361 -7.994 1.00 12.13 H new ATOM 0 HB2 ARG A 91 24.615 -10.213 -5.562 1.00 11.34 H new ATOM 0 HB3 ARG A 91 25.579 -11.492 -6.273 1.00 11.34 H new ATOM 0 HG2 ARG A 91 26.796 -9.943 -7.341 1.00 1.34 H new ATOM 0 HG3 ARG A 91 25.383 -9.502 -8.277 1.00 1.34 H new ATOM 0 HD2 ARG A 91 24.697 -8.011 -6.297 1.00 20.23 H new ATOM 0 HD3 ARG A 91 26.294 -8.305 -5.637 1.00 20.23 H new ATOM 0 HE ARG A 91 25.621 -6.504 -7.799 1.00 63.20 H new ATOM 0 HH11 ARG A 91 28.121 -8.692 -6.604 1.00 21.15 H new ATOM 0 HH12 ARG A 91 29.429 -7.826 -7.417 1.00 21.15 H new ATOM 0 HH21 ARG A 91 27.307 -5.399 -8.841 1.00 11.50 H new ATOM 0 HH22 ARG A 91 28.970 -5.971 -8.678 1.00 11.50 H new ATOM 1452 N ILE A 92 23.047 -13.141 -8.460 1.00 61.21 N ATOM 1453 CA ILE A 92 23.248 -14.373 -9.214 1.00 11.42 C ATOM 1454 C ILE A 92 22.605 -14.284 -10.593 1.00 50.35 C ATOM 1455 O ILE A 92 21.406 -14.036 -10.716 1.00 55.22 O ATOM 1456 CB ILE A 92 22.670 -15.591 -8.467 1.00 44.55 C ATOM 1457 CG1 ILE A 92 23.195 -15.632 -7.032 1.00 11.42 C ATOM 1458 CG2 ILE A 92 23.019 -16.876 -9.203 1.00 1.21 C ATOM 1459 CD1 ILE A 92 22.659 -16.793 -6.225 1.00 63.45 C ATOM 0 H ILE A 92 22.070 -12.916 -8.271 1.00 61.21 H new ATOM 0 HA ILE A 92 24.324 -14.503 -9.326 1.00 11.42 H new ATOM 0 HB ILE A 92 21.585 -15.498 -8.433 1.00 44.55 H new ATOM 0 HG12 ILE A 92 24.283 -15.687 -7.053 1.00 11.42 H new ATOM 0 HG13 ILE A 92 22.933 -14.700 -6.531 1.00 11.42 H new ATOM 0 HG21 ILE A 92 22.604 -17.728 -8.664 1.00 1.21 H new ATOM 0 HG22 ILE A 92 22.600 -16.844 -10.209 1.00 1.21 H new ATOM 0 HG23 ILE A 92 24.103 -16.978 -9.264 1.00 1.21 H new ATOM 0 HD11 ILE A 92 23.074 -16.758 -5.218 1.00 63.45 H new ATOM 0 HD12 ILE A 92 21.572 -16.728 -6.172 1.00 63.45 H new ATOM 0 HD13 ILE A 92 22.944 -17.730 -6.703 1.00 63.45 H new ATOM 1471 N ASP A 93 23.410 -14.491 -11.630 1.00 30.02 N ATOM 1472 CA ASP A 93 22.919 -14.438 -13.002 1.00 1.21 C ATOM 1473 C ASP A 93 22.937 -15.823 -13.639 1.00 42.34 C ATOM 1474 O ASP A 93 23.895 -16.195 -14.317 1.00 51.33 O ATOM 1475 CB ASP A 93 23.765 -13.471 -13.831 1.00 45.40 C ATOM 1476 CG ASP A 93 23.191 -13.238 -15.215 1.00 31.31 C ATOM 1477 OD1 ASP A 93 22.201 -13.914 -15.567 1.00 11.41 O1- ATOM 1478 OD2 ASP A 93 23.731 -12.382 -15.947 1.00 33.12 O ATOM 0 H ASP A 93 24.405 -14.697 -11.546 1.00 30.02 H new ATOM 0 HA ASP A 93 21.889 -14.081 -12.980 1.00 1.21 H new ATOM 0 HB2 ASP A 93 23.840 -12.518 -13.307 1.00 45.40 H new ATOM 0 HB3 ASP A 93 24.777 -13.865 -13.922 1.00 45.40 H new ATOM 1483 N VAL A 94 21.870 -16.585 -13.418 1.00 11.50 N ATOM 1484 CA VAL A 94 21.762 -17.929 -13.970 1.00 25.41 C ATOM 1485 C VAL A 94 21.210 -17.897 -15.391 1.00 22.53 C ATOM 1486 O VAL A 94 20.827 -16.842 -15.896 1.00 44.44 O ATOM 1487 CB VAL A 94 20.859 -18.823 -13.100 1.00 52.13 C ATOM 1488 CG1 VAL A 94 21.500 -19.072 -11.743 1.00 41.44 C ATOM 1489 CG2 VAL A 94 19.482 -18.195 -12.942 1.00 65.00 C ATOM 0 H VAL A 94 21.068 -16.293 -12.860 1.00 11.50 H new ATOM 0 HA VAL A 94 22.769 -18.347 -13.984 1.00 25.41 H new ATOM 0 HB VAL A 94 20.740 -19.784 -13.599 1.00 52.13 H new ATOM 0 HG11 VAL A 94 20.847 -19.706 -11.143 1.00 41.44 H new ATOM 0 HG12 VAL A 94 22.461 -19.568 -11.880 1.00 41.44 H new ATOM 0 HG13 VAL A 94 21.652 -18.121 -11.232 1.00 41.44 H new ATOM 0 HG21 VAL A 94 18.857 -18.840 -12.324 1.00 65.00 H new ATOM 0 HG22 VAL A 94 19.579 -17.220 -12.465 1.00 65.00 H new ATOM 0 HG23 VAL A 94 19.022 -18.075 -13.923 1.00 65.00 H new ATOM 1499 N LYS A 95 21.171 -19.061 -16.032 1.00 11.42 N ATOM 1500 CA LYS A 95 20.664 -19.169 -17.394 1.00 12.50 C ATOM 1501 C LYS A 95 19.311 -19.872 -17.418 1.00 24.40 C ATOM 1502 O LYS A 95 18.456 -19.566 -18.248 1.00 50.11 O ATOM 1503 CB LYS A 95 21.661 -19.927 -18.273 1.00 30.22 C ATOM 1504 CG LYS A 95 23.079 -19.386 -18.191 1.00 72.31 C ATOM 1505 CD LYS A 95 23.931 -20.200 -17.233 1.00 31.53 C ATOM 1506 CE LYS A 95 24.321 -21.541 -17.834 1.00 65.33 C ATOM 1507 NZ LYS A 95 25.759 -21.578 -18.223 1.00 72.32 N1+ ATOM 0 H LYS A 95 21.485 -19.944 -15.629 1.00 11.42 H new ATOM 0 HA LYS A 95 20.536 -18.161 -17.788 1.00 12.50 H new ATOM 0 HB2 LYS A 95 21.664 -20.977 -17.981 1.00 30.22 H new ATOM 0 HB3 LYS A 95 21.324 -19.885 -19.309 1.00 30.22 H new ATOM 0 HG2 LYS A 95 23.532 -19.398 -19.182 1.00 72.31 H new ATOM 0 HG3 LYS A 95 23.055 -18.346 -17.864 1.00 72.31 H new ATOM 0 HD2 LYS A 95 24.830 -19.639 -16.978 1.00 31.53 H new ATOM 0 HD3 LYS A 95 23.383 -20.362 -16.305 1.00 31.53 H new ATOM 0 HE2 LYS A 95 24.119 -22.334 -17.114 1.00 65.33 H new ATOM 0 HE3 LYS A 95 23.703 -21.740 -18.709 1.00 65.33 H new ATOM 0 HZ1 LYS A 95 25.985 -22.509 -18.628 1.00 72.32 H new ATOM 0 HZ2 LYS A 95 25.947 -20.838 -18.929 1.00 72.32 H new ATOM 0 HZ3 LYS A 95 26.350 -21.413 -17.383 1.00 72.32 H new ATOM 1521 N ASP A 96 19.124 -20.816 -16.501 1.00 11.33 N ATOM 1522 CA ASP A 96 17.874 -21.561 -16.415 1.00 23.23 C ATOM 1523 C ASP A 96 17.466 -21.772 -14.960 1.00 42.31 C ATOM 1524 O ASP A 96 18.230 -21.477 -14.041 1.00 15.13 O ATOM 1525 CB ASP A 96 18.012 -22.912 -17.120 1.00 13.43 C ATOM 1526 CG ASP A 96 19.363 -23.557 -16.876 1.00 55.20 C ATOM 1527 OD1 ASP A 96 20.308 -23.259 -17.636 1.00 55.10 O1- ATOM 1528 OD2 ASP A 96 19.474 -24.361 -15.927 1.00 12.24 O ATOM 0 H ASP A 96 19.823 -21.083 -15.807 1.00 11.33 H new ATOM 0 HA ASP A 96 17.097 -20.978 -16.910 1.00 23.23 H new ATOM 0 HB2 ASP A 96 17.225 -23.582 -16.773 1.00 13.43 H new ATOM 0 HB3 ASP A 96 17.866 -22.776 -18.192 1.00 13.43 H new ATOM 1533 N THR A 97 16.255 -22.282 -14.758 1.00 64.22 N ATOM 1534 CA THR A 97 15.744 -22.530 -13.417 1.00 15.15 C ATOM 1535 C THR A 97 16.526 -23.642 -12.727 1.00 71.11 C ATOM 1536 O THR A 97 16.752 -23.599 -11.517 1.00 1.45 O ATOM 1537 CB THR A 97 14.251 -22.909 -13.445 1.00 1.43 C ATOM 1538 OG1 THR A 97 13.524 -21.973 -14.247 1.00 52.22 O ATOM 1539 CG2 THR A 97 13.673 -22.936 -12.038 1.00 62.33 C ATOM 0 H THR A 97 15.610 -22.531 -15.508 1.00 64.22 H new ATOM 0 HA THR A 97 15.865 -21.603 -12.857 1.00 15.15 H new ATOM 0 HB THR A 97 14.159 -23.905 -13.877 1.00 1.43 H new ATOM 0 HG1 THR A 97 14.004 -21.820 -15.087 1.00 52.22 H new ATOM 0 HG21 THR A 97 12.618 -23.206 -12.083 1.00 62.33 H new ATOM 0 HG22 THR A 97 14.210 -23.671 -11.438 1.00 62.33 H new ATOM 0 HG23 THR A 97 13.776 -21.951 -11.583 1.00 62.33 H new ATOM 1547 N LYS A 98 16.937 -24.639 -13.503 1.00 2.44 N ATOM 1548 CA LYS A 98 17.697 -25.763 -12.968 1.00 30.11 C ATOM 1549 C LYS A 98 19.002 -25.288 -12.338 1.00 73.01 C ATOM 1550 O LYS A 98 19.271 -25.557 -11.168 1.00 35.50 O ATOM 1551 CB LYS A 98 17.992 -26.778 -14.075 1.00 11.33 C ATOM 1552 CG LYS A 98 17.765 -28.220 -13.654 1.00 51.05 C ATOM 1553 CD LYS A 98 16.310 -28.625 -13.815 1.00 15.02 C ATOM 1554 CE LYS A 98 16.166 -30.127 -13.999 1.00 20.42 C ATOM 1555 NZ LYS A 98 14.844 -30.621 -13.521 1.00 42.44 N1+ ATOM 0 H LYS A 98 16.756 -24.692 -14.506 1.00 2.44 H new ATOM 0 HA LYS A 98 17.095 -26.241 -12.195 1.00 30.11 H new ATOM 0 HB2 LYS A 98 17.362 -26.556 -14.937 1.00 11.33 H new ATOM 0 HB3 LYS A 98 19.027 -26.661 -14.398 1.00 11.33 H new ATOM 0 HG2 LYS A 98 18.395 -28.878 -14.252 1.00 51.05 H new ATOM 0 HG3 LYS A 98 18.066 -28.348 -12.614 1.00 51.05 H new ATOM 0 HD2 LYS A 98 15.744 -28.309 -12.938 1.00 15.02 H new ATOM 0 HD3 LYS A 98 15.881 -28.109 -14.674 1.00 15.02 H new ATOM 0 HE2 LYS A 98 16.287 -30.377 -15.053 1.00 20.42 H new ATOM 0 HE3 LYS A 98 16.962 -30.637 -13.457 1.00 20.42 H new ATOM 0 HZ1 LYS A 98 14.785 -31.649 -13.664 1.00 42.44 H new ATOM 0 HZ2 LYS A 98 14.738 -30.405 -12.509 1.00 42.44 H new ATOM 0 HZ3 LYS A 98 14.085 -30.153 -14.056 1.00 42.44 H new ATOM 1569 N GLU A 99 19.808 -24.578 -13.120 1.00 40.55 N ATOM 1570 CA GLU A 99 21.084 -24.064 -12.637 1.00 64.32 C ATOM 1571 C GLU A 99 20.896 -23.256 -11.356 1.00 62.45 C ATOM 1572 O GLU A 99 21.647 -23.414 -10.395 1.00 1.55 O ATOM 1573 CB GLU A 99 21.748 -23.196 -13.707 1.00 61.12 C ATOM 1574 CG GLU A 99 23.083 -23.739 -14.190 1.00 1.41 C ATOM 1575 CD GLU A 99 24.208 -23.482 -13.206 1.00 61.42 C ATOM 1576 OE1 GLU A 99 24.195 -22.415 -12.556 1.00 24.10 O ATOM 1577 OE2 GLU A 99 25.100 -24.348 -13.085 1.00 12.44 O1- ATOM 0 H GLU A 99 19.600 -24.345 -14.091 1.00 40.55 H new ATOM 0 HA GLU A 99 21.729 -24.915 -12.418 1.00 64.32 H new ATOM 0 HB2 GLU A 99 21.073 -23.104 -14.558 1.00 61.12 H new ATOM 0 HB3 GLU A 99 21.896 -22.193 -13.308 1.00 61.12 H new ATOM 0 HG2 GLU A 99 22.994 -24.812 -14.362 1.00 1.41 H new ATOM 0 HG3 GLU A 99 23.332 -23.282 -15.148 1.00 1.41 H new ATOM 1584 N ALA A 100 19.886 -22.392 -11.352 1.00 5.11 N ATOM 1585 CA ALA A 100 19.598 -21.561 -10.190 1.00 1.41 C ATOM 1586 C ALA A 100 19.444 -22.410 -8.932 1.00 71.01 C ATOM 1587 O ALA A 100 20.028 -22.107 -7.891 1.00 24.32 O ATOM 1588 CB ALA A 100 18.342 -20.736 -10.430 1.00 62.11 C ATOM 0 H ALA A 100 19.254 -22.250 -12.140 1.00 5.11 H new ATOM 0 HA ALA A 100 20.440 -20.885 -10.039 1.00 1.41 H new ATOM 0 HB1 ALA A 100 18.138 -20.120 -9.554 1.00 62.11 H new ATOM 0 HB2 ALA A 100 18.489 -20.094 -11.299 1.00 62.11 H new ATOM 0 HB3 ALA A 100 17.498 -21.402 -10.609 1.00 62.11 H new ATOM 1594 N LEU A 101 18.653 -23.472 -9.035 1.00 63.12 N ATOM 1595 CA LEU A 101 18.420 -24.365 -7.905 1.00 4.33 C ATOM 1596 C LEU A 101 19.736 -24.939 -7.386 1.00 74.21 C ATOM 1597 O LEU A 101 19.926 -25.086 -6.178 1.00 52.02 O ATOM 1598 CB LEU A 101 17.481 -25.501 -8.312 1.00 20.00 C ATOM 1599 CG LEU A 101 16.222 -25.669 -7.460 1.00 3.41 C ATOM 1600 CD1 LEU A 101 16.591 -25.996 -6.021 1.00 41.42 C ATOM 1601 CD2 LEU A 101 15.366 -24.412 -7.521 1.00 33.13 C ATOM 0 H LEU A 101 18.162 -23.736 -9.889 1.00 63.12 H new ATOM 0 HA LEU A 101 17.955 -23.787 -7.106 1.00 4.33 H new ATOM 0 HB2 LEU A 101 17.177 -25.341 -9.346 1.00 20.00 H new ATOM 0 HB3 LEU A 101 18.041 -26.436 -8.285 1.00 20.00 H new ATOM 0 HG LEU A 101 15.642 -26.500 -7.862 1.00 3.41 H new ATOM 0 HD11 LEU A 101 15.683 -26.112 -5.430 1.00 41.42 H new ATOM 0 HD12 LEU A 101 17.163 -26.924 -5.994 1.00 41.42 H new ATOM 0 HD13 LEU A 101 17.193 -25.187 -5.607 1.00 41.42 H new ATOM 0 HD21 LEU A 101 14.474 -24.549 -6.909 1.00 33.13 H new ATOM 0 HD22 LEU A 101 15.938 -23.564 -7.144 1.00 33.13 H new ATOM 0 HD23 LEU A 101 15.072 -24.222 -8.553 1.00 33.13 H new ATOM 1613 N ASP A 102 20.639 -25.259 -8.305 1.00 20.51 N ATOM 1614 CA ASP A 102 21.938 -25.814 -7.940 1.00 50.30 C ATOM 1615 C ASP A 102 22.793 -24.771 -7.226 1.00 63.34 C ATOM 1616 O ASP A 102 23.671 -25.110 -6.433 1.00 53.12 O ATOM 1617 CB ASP A 102 22.666 -26.324 -9.184 1.00 21.40 C ATOM 1618 CG ASP A 102 22.545 -27.827 -9.350 1.00 40.40 C ATOM 1619 OD1 ASP A 102 21.501 -28.385 -8.952 1.00 4.41 O1- ATOM 1620 OD2 ASP A 102 23.494 -28.444 -9.877 1.00 42.42 O ATOM 0 H ASP A 102 20.496 -25.144 -9.308 1.00 20.51 H new ATOM 0 HA ASP A 102 21.771 -26.649 -7.259 1.00 50.30 H new ATOM 0 HB2 ASP A 102 22.260 -25.830 -10.067 1.00 21.40 H new ATOM 0 HB3 ASP A 102 23.720 -26.052 -9.122 1.00 21.40 H new ATOM 1625 N LYS A 103 22.531 -23.501 -7.516 1.00 33.43 N ATOM 1626 CA LYS A 103 23.276 -22.407 -6.903 1.00 35.41 C ATOM 1627 C LYS A 103 22.797 -22.156 -5.476 1.00 44.40 C ATOM 1628 O LYS A 103 23.603 -22.054 -4.550 1.00 42.14 O ATOM 1629 CB LYS A 103 23.126 -21.131 -7.735 1.00 63.32 C ATOM 1630 CG LYS A 103 24.450 -20.472 -8.081 1.00 62.00 C ATOM 1631 CD LYS A 103 24.767 -20.604 -9.561 1.00 44.31 C ATOM 1632 CE LYS A 103 26.254 -20.825 -9.796 1.00 55.50 C ATOM 1633 NZ LYS A 103 26.707 -20.233 -11.086 1.00 13.21 N1+ ATOM 0 H LYS A 103 21.808 -23.204 -8.172 1.00 33.43 H new ATOM 0 HA LYS A 103 24.328 -22.690 -6.870 1.00 35.41 H new ATOM 0 HB2 LYS A 103 22.596 -21.369 -8.657 1.00 63.32 H new ATOM 0 HB3 LYS A 103 22.508 -20.420 -7.186 1.00 63.32 H new ATOM 0 HG2 LYS A 103 24.415 -19.417 -7.808 1.00 62.00 H new ATOM 0 HG3 LYS A 103 25.248 -20.927 -7.495 1.00 62.00 H new ATOM 0 HD2 LYS A 103 24.204 -21.437 -9.982 1.00 44.31 H new ATOM 0 HD3 LYS A 103 24.445 -19.704 -10.085 1.00 44.31 H new ATOM 0 HE2 LYS A 103 26.821 -20.384 -8.976 1.00 55.50 H new ATOM 0 HE3 LYS A 103 26.467 -21.894 -9.793 1.00 55.50 H new ATOM 0 HZ1 LYS A 103 27.725 -20.405 -11.208 1.00 13.21 H new ATOM 0 HZ2 LYS A 103 26.185 -20.671 -11.871 1.00 13.21 H new ATOM 0 HZ3 LYS A 103 26.527 -19.209 -11.080 1.00 13.21 H new ATOM 1647 N ILE A 104 21.483 -22.058 -5.307 1.00 13.21 N ATOM 1648 CA ILE A 104 20.899 -21.821 -3.992 1.00 62.14 C ATOM 1649 C ILE A 104 21.170 -22.989 -3.051 1.00 61.31 C ATOM 1650 O ILE A 104 21.338 -22.803 -1.847 1.00 0.14 O ATOM 1651 CB ILE A 104 19.379 -21.594 -4.086 1.00 13.23 C ATOM 1652 CG1 ILE A 104 19.072 -20.431 -5.032 1.00 72.43 C ATOM 1653 CG2 ILE A 104 18.797 -21.327 -2.704 1.00 4.00 C ATOM 1654 CD1 ILE A 104 17.602 -20.295 -5.364 1.00 23.12 C ATOM 0 H ILE A 104 20.803 -22.139 -6.063 1.00 13.21 H new ATOM 0 HA ILE A 104 21.370 -20.922 -3.594 1.00 62.14 H new ATOM 0 HB ILE A 104 18.916 -22.496 -4.487 1.00 13.23 H new ATOM 0 HG12 ILE A 104 19.422 -19.503 -4.580 1.00 72.43 H new ATOM 0 HG13 ILE A 104 19.634 -20.567 -5.956 1.00 72.43 H new ATOM 0 HG21 ILE A 104 17.722 -21.168 -2.786 1.00 4.00 H new ATOM 0 HG22 ILE A 104 18.989 -22.183 -2.057 1.00 4.00 H new ATOM 0 HG23 ILE A 104 19.263 -20.438 -2.278 1.00 4.00 H new ATOM 0 HD11 ILE A 104 17.458 -19.451 -6.038 1.00 23.12 H new ATOM 0 HD12 ILE A 104 17.252 -21.208 -5.845 1.00 23.12 H new ATOM 0 HD13 ILE A 104 17.036 -20.128 -4.448 1.00 23.12 H new ATOM 1666 N GLU A 105 21.213 -24.195 -3.610 1.00 62.42 N ATOM 1667 CA GLU A 105 21.465 -25.395 -2.820 1.00 3.43 C ATOM 1668 C GLU A 105 22.837 -25.328 -2.154 1.00 13.04 C ATOM 1669 O GLU A 105 23.019 -25.814 -1.038 1.00 3.13 O ATOM 1670 CB GLU A 105 21.375 -26.641 -3.702 1.00 70.32 C ATOM 1671 CG GLU A 105 21.562 -27.942 -2.938 1.00 21.11 C ATOM 1672 CD GLU A 105 21.534 -29.159 -3.843 1.00 14.44 C ATOM 1673 OE1 GLU A 105 20.495 -29.388 -4.496 1.00 75.32 O ATOM 1674 OE2 GLU A 105 22.551 -29.881 -3.898 1.00 30.12 O1- ATOM 0 H GLU A 105 21.077 -24.367 -4.606 1.00 62.42 H new ATOM 0 HA GLU A 105 20.704 -25.454 -2.042 1.00 3.43 H new ATOM 0 HB2 GLU A 105 20.404 -26.656 -4.197 1.00 70.32 H new ATOM 0 HB3 GLU A 105 22.131 -26.577 -4.485 1.00 70.32 H new ATOM 0 HG2 GLU A 105 22.512 -27.912 -2.404 1.00 21.11 H new ATOM 0 HG3 GLU A 105 20.777 -28.034 -2.187 1.00 21.11 H new ATOM 1681 N GLU A 106 23.796 -24.723 -2.847 1.00 30.14 N ATOM 1682 CA GLU A 106 25.151 -24.595 -2.322 1.00 50.23 C ATOM 1683 C GLU A 106 25.198 -23.587 -1.177 1.00 63.15 C ATOM 1684 O GLU A 106 25.886 -23.800 -0.179 1.00 55.34 O ATOM 1685 CB GLU A 106 26.113 -24.167 -3.432 1.00 63.53 C ATOM 1686 CG GLU A 106 26.828 -25.330 -4.101 1.00 74.02 C ATOM 1687 CD GLU A 106 28.159 -25.648 -3.450 1.00 1.05 C ATOM 1688 OE1 GLU A 106 28.443 -25.081 -2.373 1.00 22.12 O ATOM 1689 OE2 GLU A 106 28.917 -26.464 -4.016 1.00 15.24 O1- ATOM 0 H GLU A 106 23.661 -24.314 -3.772 1.00 30.14 H new ATOM 0 HA GLU A 106 25.458 -25.568 -1.939 1.00 50.23 H new ATOM 0 HB2 GLU A 106 25.558 -23.610 -4.187 1.00 63.53 H new ATOM 0 HB3 GLU A 106 26.855 -23.486 -3.015 1.00 63.53 H new ATOM 0 HG2 GLU A 106 26.190 -26.213 -4.065 1.00 74.02 H new ATOM 0 HG3 GLU A 106 26.989 -25.096 -5.153 1.00 74.02 H new ATOM 1696 N GLU A 107 24.463 -22.491 -1.331 1.00 53.15 N ATOM 1697 CA GLU A 107 24.422 -21.450 -0.311 1.00 74.11 C ATOM 1698 C GLU A 107 23.787 -21.972 0.974 1.00 21.41 C ATOM 1699 O GLU A 107 24.271 -21.699 2.073 1.00 63.33 O ATOM 1700 CB GLU A 107 23.642 -20.236 -0.821 1.00 1.14 C ATOM 1701 CG GLU A 107 24.358 -18.914 -0.594 1.00 63.54 C ATOM 1702 CD GLU A 107 25.367 -18.604 -1.682 1.00 41.30 C ATOM 1703 OE1 GLU A 107 26.043 -19.544 -2.149 1.00 4.24 O ATOM 1704 OE2 GLU A 107 25.481 -17.421 -2.066 1.00 62.21 O1- ATOM 0 H GLU A 107 23.888 -22.301 -2.152 1.00 53.15 H new ATOM 0 HA GLU A 107 25.447 -21.150 -0.094 1.00 74.11 H new ATOM 0 HB2 GLU A 107 23.452 -20.358 -1.887 1.00 1.14 H new ATOM 0 HB3 GLU A 107 22.671 -20.204 -0.326 1.00 1.14 H new ATOM 0 HG2 GLU A 107 23.623 -18.111 -0.545 1.00 63.54 H new ATOM 0 HG3 GLU A 107 24.865 -18.941 0.370 1.00 63.54 H new ATOM 1711 N GLN A 108 22.702 -22.726 0.828 1.00 52.43 N ATOM 1712 CA GLN A 108 22.000 -23.286 1.977 1.00 2.42 C ATOM 1713 C GLN A 108 22.832 -24.375 2.645 1.00 73.53 C ATOM 1714 O GLN A 108 22.705 -24.619 3.843 1.00 31.24 O ATOM 1715 CB GLN A 108 20.646 -23.852 1.548 1.00 60.22 C ATOM 1716 CG GLN A 108 19.490 -22.885 1.749 1.00 42.44 C ATOM 1717 CD GLN A 108 18.836 -23.031 3.108 1.00 61.34 C ATOM 1718 OE1 GLN A 108 19.470 -23.460 4.072 1.00 63.00 O ATOM 1719 NE2 GLN A 108 17.559 -22.675 3.192 1.00 25.53 N ATOM 0 H GLN A 108 22.290 -22.963 -0.074 1.00 52.43 H new ATOM 0 HA GLN A 108 21.838 -22.485 2.698 1.00 2.42 H new ATOM 0 HB2 GLN A 108 20.696 -24.132 0.496 1.00 60.22 H new ATOM 0 HB3 GLN A 108 20.448 -24.764 2.111 1.00 60.22 H new ATOM 0 HG2 GLN A 108 19.852 -21.863 1.632 1.00 42.44 H new ATOM 0 HG3 GLN A 108 18.744 -23.050 0.972 1.00 42.44 H new ATOM 0 HE21 GLN A 108 17.072 -22.324 2.367 1.00 25.53 H new ATOM 0 HE22 GLN A 108 17.065 -22.752 4.081 1.00 25.53 H new ATOM 1728 N ASN A 109 23.683 -25.028 1.859 1.00 53.04 N ATOM 1729 CA ASN A 109 24.536 -26.094 2.375 1.00 55.24 C ATOM 1730 C ASN A 109 25.385 -25.594 3.540 1.00 73.52 C ATOM 1731 O ASN A 109 25.654 -26.334 4.487 1.00 2.12 O ATOM 1732 CB ASN A 109 25.439 -26.634 1.265 1.00 62.01 C ATOM 1733 CG ASN A 109 25.381 -28.146 1.156 1.00 12.41 C ATOM 1734 OD1 ASN A 109 24.302 -28.731 1.066 1.00 51.13 O ATOM 1735 ND2 ASN A 109 26.545 -28.785 1.165 1.00 14.45 N ATOM 0 H ASN A 109 23.800 -24.838 0.864 1.00 53.04 H new ATOM 0 HA ASN A 109 23.894 -26.898 2.735 1.00 55.24 H new ATOM 0 HB2 ASN A 109 25.144 -26.192 0.313 1.00 62.01 H new ATOM 0 HB3 ASN A 109 26.467 -26.325 1.454 1.00 62.01 H new ATOM 0 HD21 ASN A 109 26.569 -29.802 1.096 1.00 14.45 H new ATOM 0 HD22 ASN A 109 27.415 -28.258 1.241 1.00 14.45 H new ATOM 1742 N LYS A 110 25.803 -24.336 3.464 1.00 52.52 N ATOM 1743 CA LYS A 110 26.619 -23.736 4.511 1.00 0.34 C ATOM 1744 C LYS A 110 25.841 -23.638 5.819 1.00 31.05 C ATOM 1745 O LYS A 110 26.399 -23.830 6.900 1.00 53.40 O ATOM 1746 CB LYS A 110 27.094 -22.345 4.083 1.00 23.02 C ATOM 1747 CG LYS A 110 27.955 -22.355 2.831 1.00 55.12 C ATOM 1748 CD LYS A 110 29.433 -22.456 3.171 1.00 73.22 C ATOM 1749 CE LYS A 110 30.186 -23.282 2.140 1.00 71.02 C ATOM 1750 NZ LYS A 110 30.144 -22.656 0.789 1.00 51.25 N1+ ATOM 0 H LYS A 110 25.589 -23.711 2.687 1.00 52.52 H new ATOM 0 HA LYS A 110 27.486 -24.376 4.671 1.00 0.34 H new ATOM 0 HB2 LYS A 110 26.225 -21.710 3.911 1.00 23.02 H new ATOM 0 HB3 LYS A 110 27.660 -21.896 4.899 1.00 23.02 H new ATOM 0 HG2 LYS A 110 27.668 -23.195 2.198 1.00 55.12 H new ATOM 0 HG3 LYS A 110 27.774 -21.446 2.257 1.00 55.12 H new ATOM 0 HD2 LYS A 110 29.865 -21.456 3.224 1.00 73.22 H new ATOM 0 HD3 LYS A 110 29.551 -22.907 4.156 1.00 73.22 H new ATOM 0 HE2 LYS A 110 31.223 -23.397 2.455 1.00 71.02 H new ATOM 0 HE3 LYS A 110 29.755 -24.282 2.090 1.00 71.02 H new ATOM 0 HZ1 LYS A 110 30.724 -23.213 0.130 1.00 51.25 H new ATOM 0 HZ2 LYS A 110 29.162 -22.631 0.449 1.00 51.25 H new ATOM 0 HZ3 LYS A 110 30.517 -21.687 0.844 1.00 51.25 H new ATOM 1764 N SER A 111 24.550 -23.341 5.714 1.00 25.33 N ATOM 1765 CA SER A 111 23.696 -23.216 6.889 1.00 64.41 C ATOM 1766 C SER A 111 23.322 -24.589 7.438 1.00 24.41 C ATOM 1767 O SER A 111 23.317 -24.808 8.650 1.00 62.13 O ATOM 1768 CB SER A 111 22.429 -22.430 6.544 1.00 1.14 C ATOM 1769 OG SER A 111 21.373 -23.301 6.178 1.00 2.10 O ATOM 0 H SER A 111 24.072 -23.182 4.827 1.00 25.33 H new ATOM 0 HA SER A 111 24.252 -22.677 7.656 1.00 64.41 H new ATOM 0 HB2 SER A 111 22.127 -21.827 7.400 1.00 1.14 H new ATOM 0 HB3 SER A 111 22.636 -21.741 5.726 1.00 1.14 H new ATOM 0 HG SER A 111 20.955 -22.979 5.352 1.00 2.10 H new ATOM 1775 N LYS A 112 23.009 -25.514 6.536 1.00 31.11 N ATOM 1776 CA LYS A 112 22.634 -26.869 6.926 1.00 13.44 C ATOM 1777 C LYS A 112 23.726 -27.512 7.776 1.00 40.23 C ATOM 1778 O LYS A 112 23.442 -28.292 8.684 1.00 15.22 O ATOM 1779 CB LYS A 112 22.368 -27.724 5.686 1.00 51.31 C ATOM 1780 CG LYS A 112 20.968 -27.555 5.119 1.00 1.24 C ATOM 1781 CD LYS A 112 20.116 -28.788 5.365 1.00 32.13 C ATOM 1782 CE LYS A 112 18.632 -28.457 5.325 1.00 31.25 C ATOM 1783 NZ LYS A 112 18.159 -27.873 6.611 1.00 32.15 N1+ ATOM 0 H LYS A 112 23.008 -25.350 5.529 1.00 31.11 H new ATOM 0 HA LYS A 112 21.722 -26.810 7.521 1.00 13.44 H new ATOM 0 HB2 LYS A 112 23.096 -27.469 4.916 1.00 51.31 H new ATOM 0 HB3 LYS A 112 22.525 -28.773 5.938 1.00 51.31 H new ATOM 0 HG2 LYS A 112 20.492 -26.686 5.574 1.00 1.24 H new ATOM 0 HG3 LYS A 112 21.029 -27.361 4.048 1.00 1.24 H new ATOM 0 HD2 LYS A 112 20.342 -29.544 4.613 1.00 32.13 H new ATOM 0 HD3 LYS A 112 20.368 -29.218 6.334 1.00 32.13 H new ATOM 0 HE2 LYS A 112 18.438 -27.755 4.514 1.00 31.25 H new ATOM 0 HE3 LYS A 112 18.064 -29.361 5.106 1.00 31.25 H new ATOM 0 HZ1 LYS A 112 17.143 -27.661 6.543 1.00 32.15 H new ATOM 0 HZ2 LYS A 112 18.320 -28.553 7.381 1.00 32.15 H new ATOM 0 HZ3 LYS A 112 18.683 -26.996 6.808 1.00 32.15 H new ATOM 1797 N LYS A 113 24.977 -27.178 7.474 1.00 23.32 N ATOM 1798 CA LYS A 113 26.112 -27.720 8.211 1.00 32.04 C ATOM 1799 C LYS A 113 26.016 -27.372 9.693 1.00 71.22 C ATOM 1800 O LYS A 113 26.530 -28.096 10.546 1.00 15.24 O ATOM 1801 CB LYS A 113 27.424 -27.183 7.635 1.00 21.52 C ATOM 1802 CG LYS A 113 28.578 -28.166 7.730 1.00 53.22 C ATOM 1803 CD LYS A 113 28.622 -29.093 6.527 1.00 41.10 C ATOM 1804 CE LYS A 113 28.737 -30.550 6.950 1.00 11.11 C ATOM 1805 NZ LYS A 113 30.036 -30.831 7.621 1.00 32.32 N1+ ATOM 0 H LYS A 113 25.230 -26.535 6.724 1.00 23.32 H new ATOM 0 HA LYS A 113 26.094 -28.805 8.109 1.00 32.04 H new ATOM 0 HB2 LYS A 113 27.270 -26.917 6.589 1.00 21.52 H new ATOM 0 HB3 LYS A 113 27.694 -26.267 8.161 1.00 21.52 H new ATOM 0 HG2 LYS A 113 29.518 -27.619 7.803 1.00 53.22 H new ATOM 0 HG3 LYS A 113 28.481 -28.756 8.641 1.00 53.22 H new ATOM 0 HD2 LYS A 113 27.721 -28.957 5.928 1.00 41.10 H new ATOM 0 HD3 LYS A 113 29.469 -28.829 5.894 1.00 41.10 H new ATOM 0 HE2 LYS A 113 27.918 -30.798 7.625 1.00 11.11 H new ATOM 0 HE3 LYS A 113 28.634 -31.192 6.075 1.00 11.11 H new ATOM 0 HZ1 LYS A 113 30.076 -31.834 7.894 1.00 32.32 H new ATOM 0 HZ2 LYS A 113 30.817 -30.619 6.968 1.00 32.32 H new ATOM 0 HZ3 LYS A 113 30.124 -30.237 8.470 1.00 32.32 H new ATOM 1819 N LYS A 114 25.352 -26.261 9.993 1.00 33.32 N ATOM 1820 CA LYS A 114 25.185 -25.818 11.372 1.00 23.12 C ATOM 1821 C LYS A 114 23.774 -26.111 11.871 1.00 62.35 C ATOM 1822 O LYS A 114 23.201 -25.334 12.633 1.00 20.21 O ATOM 1823 CB LYS A 114 25.476 -24.320 11.487 1.00 3.11 C ATOM 1824 CG LYS A 114 26.959 -23.987 11.502 1.00 75.50 C ATOM 1825 CD LYS A 114 27.605 -24.383 12.819 1.00 23.43 C ATOM 1826 CE LYS A 114 28.206 -23.179 13.528 1.00 62.10 C ATOM 1827 NZ LYS A 114 29.579 -22.876 13.039 1.00 23.15 N1+ ATOM 0 H LYS A 114 24.920 -25.651 9.299 1.00 33.32 H new ATOM 0 HA LYS A 114 25.893 -26.369 11.992 1.00 23.12 H new ATOM 0 HB2 LYS A 114 25.004 -23.802 10.652 1.00 3.11 H new ATOM 0 HB3 LYS A 114 25.017 -23.938 12.399 1.00 3.11 H new ATOM 0 HG2 LYS A 114 27.457 -24.503 10.681 1.00 75.50 H new ATOM 0 HG3 LYS A 114 27.095 -22.918 11.336 1.00 75.50 H new ATOM 0 HD2 LYS A 114 26.862 -24.853 13.463 1.00 23.43 H new ATOM 0 HD3 LYS A 114 28.383 -25.125 12.636 1.00 23.43 H new ATOM 0 HE2 LYS A 114 27.566 -22.310 13.374 1.00 62.10 H new ATOM 0 HE3 LYS A 114 28.236 -23.367 14.601 1.00 62.10 H new ATOM 0 HZ1 LYS A 114 29.954 -22.049 13.547 1.00 23.15 H new ATOM 0 HZ2 LYS A 114 30.197 -23.695 13.208 1.00 23.15 H new ATOM 0 HZ3 LYS A 114 29.547 -22.671 12.020 1.00 23.15 H new ATOM 1841 N ALA A 115 23.220 -27.239 11.436 1.00 12.30 N ATOM 1842 CA ALA A 115 21.878 -27.636 11.841 1.00 22.52 C ATOM 1843 C ALA A 115 21.736 -29.156 11.854 1.00 53.52 C ATOM 1844 O ALA A 115 21.213 -29.730 12.808 1.00 0.32 O ATOM 1845 CB ALA A 115 20.842 -27.015 10.917 1.00 54.24 C ATOM 0 H ALA A 115 23.681 -27.893 10.803 1.00 12.30 H new ATOM 0 HA ALA A 115 21.708 -27.272 12.854 1.00 22.52 H new ATOM 0 HB1 ALA A 115 19.844 -27.320 11.232 1.00 54.24 H new ATOM 0 HB2 ALA A 115 20.920 -25.929 10.961 1.00 54.24 H new ATOM 0 HB3 ALA A 115 21.019 -27.350 9.895 1.00 54.24 H new ATOM 1851 N GLN A 116 22.202 -29.797 10.788 1.00 42.33 N ATOM 1852 CA GLN A 116 22.124 -31.249 10.676 1.00 62.42 C ATOM 1853 C GLN A 116 22.756 -31.922 11.890 1.00 20.32 C ATOM 1854 O GLN A 116 22.378 -33.033 12.262 1.00 51.22 O ATOM 1855 CB GLN A 116 22.818 -31.722 9.398 1.00 43.52 C ATOM 1856 CG GLN A 116 21.891 -31.798 8.195 1.00 3.41 C ATOM 1857 CD GLN A 116 21.761 -33.204 7.646 1.00 75.23 C ATOM 1858 OE1 GLN A 116 21.661 -34.171 8.403 1.00 4.32 O ATOM 1859 NE2 GLN A 116 21.759 -33.327 6.325 1.00 61.34 N ATOM 0 H GLN A 116 22.637 -29.335 9.990 1.00 42.33 H new ATOM 0 HA GLN A 116 21.071 -31.529 10.634 1.00 62.42 H new ATOM 0 HB2 GLN A 116 23.641 -31.045 9.170 1.00 43.52 H new ATOM 0 HB3 GLN A 116 23.253 -32.706 9.574 1.00 43.52 H new ATOM 0 HG2 GLN A 116 20.905 -31.430 8.477 1.00 3.41 H new ATOM 0 HG3 GLN A 116 22.265 -31.139 7.411 1.00 3.41 H new ATOM 0 HE21 GLN A 116 21.844 -32.499 5.736 1.00 61.34 H new ATOM 0 HE22 GLN A 116 21.672 -34.250 5.899 1.00 61.34 H new ATOM 1868 N GLN A 117 23.720 -31.242 12.503 1.00 70.10 N ATOM 1869 CA GLN A 117 24.404 -31.777 13.674 1.00 12.14 C ATOM 1870 C GLN A 117 23.413 -32.081 14.793 1.00 25.31 C ATOM 1871 O GLN A 117 23.329 -33.212 15.269 1.00 13.04 O ATOM 1872 CB GLN A 117 25.461 -30.787 14.169 1.00 64.43 C ATOM 1873 CG GLN A 117 26.748 -31.452 14.631 1.00 45.23 C ATOM 1874 CD GLN A 117 27.804 -30.449 15.054 1.00 74.23 C ATOM 1875 OE1 GLN A 117 27.534 -29.252 15.152 1.00 11.31 O ATOM 1876 NE2 GLN A 117 29.013 -30.934 15.309 1.00 51.23 N ATOM 0 H GLN A 117 24.044 -30.321 12.208 1.00 70.10 H new ATOM 0 HA GLN A 117 24.893 -32.707 13.384 1.00 12.14 H new ATOM 0 HB2 GLN A 117 25.692 -30.084 13.368 1.00 64.43 H new ATOM 0 HB3 GLN A 117 25.046 -30.206 14.993 1.00 64.43 H new ATOM 0 HG2 GLN A 117 26.529 -32.117 15.466 1.00 45.23 H new ATOM 0 HG3 GLN A 117 27.142 -32.071 13.825 1.00 45.23 H new ATOM 0 HE21 GLN A 117 29.192 -31.934 15.215 1.00 51.23 H new ATOM 0 HE22 GLN A 117 29.763 -30.307 15.599 1.00 51.23 H new ATOM 1885 N ALA A 118 22.665 -31.063 15.207 1.00 23.40 N ATOM 1886 CA ALA A 118 21.679 -31.223 16.268 1.00 70.24 C ATOM 1887 C ALA A 118 20.628 -32.262 15.889 1.00 11.21 C ATOM 1888 O ALA A 118 20.126 -32.991 16.744 1.00 13.41 O ATOM 1889 CB ALA A 118 21.016 -29.888 16.577 1.00 23.51 C ATOM 0 H ALA A 118 22.723 -30.120 14.824 1.00 23.40 H new ATOM 0 HA ALA A 118 22.196 -31.576 17.161 1.00 70.24 H new ATOM 0 HB1 ALA A 118 20.282 -30.022 17.371 1.00 23.51 H new ATOM 0 HB2 ALA A 118 21.772 -29.172 16.899 1.00 23.51 H new ATOM 0 HB3 ALA A 118 20.519 -29.513 15.682 1.00 23.51 H new ATOM 1895 N ALA A 119 20.301 -32.325 14.602 1.00 1.22 N ATOM 1896 CA ALA A 119 19.313 -33.277 14.112 1.00 54.55 C ATOM 1897 C ALA A 119 19.935 -34.650 13.888 1.00 45.35 C ATOM 1898 O ALA A 119 20.187 -35.050 12.751 1.00 74.23 O ATOM 1899 CB ALA A 119 18.682 -32.765 12.825 1.00 44.42 C ATOM 0 H ALA A 119 20.706 -31.728 13.881 1.00 1.22 H new ATOM 0 HA ALA A 119 18.537 -33.380 14.870 1.00 54.55 H new ATOM 0 HB1 ALA A 119 17.946 -33.485 12.469 1.00 44.42 H new ATOM 0 HB2 ALA A 119 18.193 -31.810 13.015 1.00 44.42 H new ATOM 0 HB3 ALA A 119 19.455 -32.633 12.068 1.00 44.42 H new ATOM 1905 N ALA A 120 20.183 -35.367 14.979 1.00 73.32 N ATOM 1906 CA ALA A 120 20.776 -36.696 14.901 1.00 72.12 C ATOM 1907 C ALA A 120 20.712 -37.406 16.249 1.00 14.14 C ATOM 1908 O ALA A 120 20.110 -38.473 16.372 1.00 12.14 O ATOM 1909 CB ALA A 120 22.215 -36.605 14.418 1.00 41.22 C ATOM 0 H ALA A 120 19.982 -35.050 15.927 1.00 73.32 H new ATOM 0 HA ALA A 120 20.201 -37.281 14.184 1.00 72.12 H new ATOM 0 HB1 ALA A 120 22.645 -37.605 14.365 1.00 41.22 H new ATOM 0 HB2 ALA A 120 22.239 -36.147 13.429 1.00 41.22 H new ATOM 0 HB3 ALA A 120 22.794 -35.998 15.113 1.00 41.22 H new ATOM 1915 N ASP A 121 21.336 -36.806 17.258 1.00 61.33 N ATOM 1916 CA ASP A 121 21.350 -37.381 18.598 1.00 63.43 C ATOM 1917 C ASP A 121 19.989 -37.225 19.270 1.00 13.32 C ATOM 1918 O ASP A 121 19.774 -36.299 20.054 1.00 2.00 O ATOM 1919 CB ASP A 121 22.433 -36.717 19.450 1.00 13.40 C ATOM 1920 CG ASP A 121 23.722 -37.514 19.470 1.00 51.43 C ATOM 1921 OD1 ASP A 121 23.722 -38.628 20.034 1.00 4.33 O1- ATOM 1922 OD2 ASP A 121 24.732 -37.022 18.923 1.00 25.25 O ATOM 0 H ASP A 121 21.838 -35.922 17.173 1.00 61.33 H new ATOM 0 HA ASP A 121 21.571 -38.445 18.508 1.00 63.43 H new ATOM 0 HB2 ASP A 121 22.633 -35.717 19.064 1.00 13.40 H new ATOM 0 HB3 ASP A 121 22.067 -36.598 20.470 1.00 13.40 H new ATOM 1927 N THR A 122 19.072 -38.136 18.958 1.00 53.01 N ATOM 1928 CA THR A 122 17.732 -38.098 19.530 1.00 53.51 C ATOM 1929 C THR A 122 17.047 -39.455 19.415 1.00 14.34 C ATOM 1930 O THR A 122 17.157 -40.132 18.395 1.00 31.42 O ATOM 1931 CB THR A 122 16.857 -37.034 18.841 1.00 64.11 C ATOM 1932 OG1 THR A 122 17.466 -36.619 17.613 1.00 4.12 O ATOM 1933 CG2 THR A 122 16.656 -35.828 19.746 1.00 25.14 C ATOM 0 H THR A 122 19.233 -38.909 18.312 1.00 53.01 H new ATOM 0 HA THR A 122 17.845 -37.839 20.583 1.00 53.51 H new ATOM 0 HB THR A 122 15.883 -37.477 18.632 1.00 64.11 H new ATOM 0 HG1 THR A 122 16.903 -35.944 17.180 1.00 4.12 H new ATOM 0 HG21 THR A 122 16.035 -35.091 19.237 1.00 25.14 H new ATOM 0 HG22 THR A 122 16.165 -36.142 20.667 1.00 25.14 H new ATOM 0 HG23 THR A 122 17.624 -35.386 19.983 1.00 25.14 H new ATOM 1941 N GLY A 123 16.338 -39.846 20.471 1.00 41.22 N ATOM 1942 CA GLY A 123 15.645 -41.120 20.468 1.00 70.10 C ATOM 1943 C GLY A 123 14.625 -41.223 19.351 1.00 4.20 C ATOM 1944 O GLY A 123 13.747 -40.372 19.224 1.00 54.14 O ATOM 0 H GLY A 123 16.232 -39.302 21.328 1.00 41.22 H new ATOM 0 HA2 GLY A 123 16.372 -41.925 20.367 1.00 70.10 H new ATOM 0 HA3 GLY A 123 15.145 -41.260 21.426 1.00 70.10 H new ATOM 1948 N ASN A 124 14.744 -42.268 18.539 1.00 71.52 N ATOM 1949 CA ASN A 124 13.825 -42.478 17.425 1.00 32.20 C ATOM 1950 C ASN A 124 12.909 -43.669 17.692 1.00 11.42 C ATOM 1951 O ASN A 124 13.082 -44.390 18.674 1.00 52.14 O ATOM 1952 CB ASN A 124 14.606 -42.703 16.128 1.00 13.44 C ATOM 1953 CG ASN A 124 15.711 -43.729 16.289 1.00 31.23 C ATOM 1954 OD1 ASN A 124 16.801 -43.415 16.769 1.00 72.44 O ATOM 1955 ND2 ASN A 124 15.434 -44.964 15.887 1.00 53.32 N ATOM 0 H ASN A 124 15.467 -42.982 18.631 1.00 71.52 H new ATOM 0 HA ASN A 124 13.209 -41.584 17.321 1.00 32.20 H new ATOM 0 HB2 ASN A 124 13.920 -43.031 15.347 1.00 13.44 H new ATOM 0 HB3 ASN A 124 15.037 -41.758 15.798 1.00 13.44 H new ATOM 0 HD21 ASN A 124 16.138 -45.697 15.970 1.00 53.32 H new ATOM 0 HD22 ASN A 124 14.517 -45.179 15.495 1.00 53.32 H new ATOM 1962 N ASN A 125 11.934 -43.867 16.811 1.00 34.51 N ATOM 1963 CA ASN A 125 10.989 -44.969 16.952 1.00 24.31 C ATOM 1964 C ASN A 125 11.383 -46.139 16.055 1.00 71.33 C ATOM 1965 O ASN A 125 10.852 -46.297 14.955 1.00 23.43 O ATOM 1966 CB ASN A 125 9.573 -44.503 16.609 1.00 22.12 C ATOM 1967 CG ASN A 125 8.822 -43.996 17.824 1.00 34.02 C ATOM 1968 OD1 ASN A 125 8.790 -44.651 18.867 1.00 43.51 O ATOM 1969 ND2 ASN A 125 8.210 -42.825 17.696 1.00 51.22 N ATOM 0 H ASN A 125 11.778 -43.279 15.992 1.00 34.51 H new ATOM 0 HA ASN A 125 11.011 -45.304 17.989 1.00 24.31 H new ATOM 0 HB2 ASN A 125 9.625 -43.712 15.861 1.00 22.12 H new ATOM 0 HB3 ASN A 125 9.020 -45.329 16.162 1.00 22.12 H new ATOM 0 HD21 ASN A 125 7.687 -42.434 18.480 1.00 51.22 H new ATOM 0 HD22 ASN A 125 8.262 -42.316 16.814 1.00 51.22 H new ATOM 1976 N SER A 126 12.315 -46.958 16.533 1.00 43.12 N ATOM 1977 CA SER A 126 12.781 -48.112 15.774 1.00 64.33 C ATOM 1978 C SER A 126 12.891 -49.343 16.669 1.00 74.25 C ATOM 1979 O SER A 126 13.813 -49.457 17.475 1.00 45.22 O ATOM 1980 CB SER A 126 14.137 -47.812 15.132 1.00 63.04 C ATOM 1981 OG SER A 126 14.617 -48.931 14.407 1.00 60.01 O ATOM 0 H SER A 126 12.762 -46.843 17.443 1.00 43.12 H new ATOM 0 HA SER A 126 12.053 -48.318 14.990 1.00 64.33 H new ATOM 0 HB2 SER A 126 14.045 -46.955 14.465 1.00 63.04 H new ATOM 0 HB3 SER A 126 14.856 -47.539 15.904 1.00 63.04 H new ATOM 0 HG SER A 126 15.484 -48.713 14.005 1.00 60.01 H new ATOM 1987 N GLN A 127 11.941 -50.261 16.520 1.00 41.30 N ATOM 1988 CA GLN A 127 11.930 -51.483 17.315 1.00 74.14 C ATOM 1989 C GLN A 127 11.249 -52.618 16.558 1.00 33.40 C ATOM 1990 O GLN A 127 10.550 -53.441 17.149 1.00 74.12 O ATOM 1991 CB GLN A 127 11.217 -51.244 18.647 1.00 3.33 C ATOM 1992 CG GLN A 127 9.888 -50.521 18.505 1.00 61.53 C ATOM 1993 CD GLN A 127 9.060 -50.567 19.774 1.00 12.11 C ATOM 1994 OE1 GLN A 127 9.060 -51.566 20.494 1.00 64.12 O ATOM 1995 NE2 GLN A 127 8.347 -49.483 20.056 1.00 41.41 N ATOM 0 H GLN A 127 11.170 -50.182 15.857 1.00 41.30 H new ATOM 0 HA GLN A 127 12.964 -51.769 17.510 1.00 74.14 H new ATOM 0 HB2 GLN A 127 11.049 -52.203 19.137 1.00 3.33 H new ATOM 0 HB3 GLN A 127 11.869 -50.663 19.299 1.00 3.33 H new ATOM 0 HG2 GLN A 127 10.071 -49.482 18.233 1.00 61.53 H new ATOM 0 HG3 GLN A 127 9.321 -50.969 17.689 1.00 61.53 H new ATOM 0 HE21 GLN A 127 8.376 -48.677 19.432 1.00 41.41 H new ATOM 0 HE22 GLN A 127 7.770 -49.456 20.897 1.00 41.41 H new ATOM 2004 N VAL A 128 11.458 -52.657 15.246 1.00 63.23 N ATOM 2005 CA VAL A 128 10.866 -53.693 14.408 1.00 55.34 C ATOM 2006 C VAL A 128 11.937 -54.607 13.824 1.00 71.33 C ATOM 2007 O VAL A 128 11.829 -55.057 12.683 1.00 54.42 O ATOM 2008 CB VAL A 128 10.045 -53.081 13.256 1.00 1.11 C ATOM 2009 CG1 VAL A 128 8.888 -52.259 13.803 1.00 34.42 C ATOM 2010 CG2 VAL A 128 10.935 -52.233 12.360 1.00 34.41 C ATOM 0 H VAL A 128 12.033 -51.983 14.740 1.00 63.23 H new ATOM 0 HA VAL A 128 10.204 -54.277 15.047 1.00 55.34 H new ATOM 0 HB VAL A 128 9.632 -53.892 12.656 1.00 1.11 H new ATOM 0 HG11 VAL A 128 8.320 -51.835 12.975 1.00 34.42 H new ATOM 0 HG12 VAL A 128 8.238 -52.898 14.400 1.00 34.42 H new ATOM 0 HG13 VAL A 128 9.277 -51.454 14.427 1.00 34.42 H new ATOM 0 HG21 VAL A 128 10.339 -51.809 11.552 1.00 34.41 H new ATOM 0 HG22 VAL A 128 11.379 -51.428 12.945 1.00 34.41 H new ATOM 0 HG23 VAL A 128 11.726 -52.854 11.940 1.00 34.41 H new ATOM 2020 N SER A 129 12.970 -54.879 14.615 1.00 41.04 N ATOM 2021 CA SER A 129 14.063 -55.739 14.175 1.00 11.31 C ATOM 2022 C SER A 129 13.604 -57.189 14.067 1.00 72.30 C ATOM 2023 O SER A 129 12.479 -57.525 14.437 1.00 11.33 O ATOM 2024 CB SER A 129 15.241 -55.635 15.145 1.00 3.24 C ATOM 2025 OG SER A 129 15.107 -54.509 15.994 1.00 40.03 O ATOM 0 H SER A 129 13.073 -54.517 15.563 1.00 41.04 H new ATOM 0 HA SER A 129 14.383 -55.404 13.188 1.00 11.31 H new ATOM 0 HB2 SER A 129 15.302 -56.542 15.746 1.00 3.24 H new ATOM 0 HB3 SER A 129 16.172 -55.562 14.584 1.00 3.24 H new ATOM 0 HG SER A 129 15.872 -54.467 16.605 1.00 40.03 H new ATOM 2031 N GLN A 130 14.484 -58.045 13.557 1.00 1.14 N ATOM 2032 CA GLN A 130 14.169 -59.461 13.400 1.00 11.41 C ATOM 2033 C GLN A 130 15.148 -60.327 14.186 1.00 52.21 C ATOM 2034 O GLN A 130 16.217 -59.866 14.585 1.00 63.33 O ATOM 2035 CB GLN A 130 14.200 -59.850 11.921 1.00 53.23 C ATOM 2036 CG GLN A 130 12.824 -60.138 11.339 1.00 2.14 C ATOM 2037 CD GLN A 130 12.762 -59.902 9.844 1.00 50.14 C ATOM 2038 OE1 GLN A 130 12.193 -58.912 9.384 1.00 41.25 O ATOM 2039 NE2 GLN A 130 13.349 -60.811 9.074 1.00 20.23 N ATOM 0 H GLN A 130 15.420 -57.784 13.246 1.00 1.14 H new ATOM 0 HA GLN A 130 13.166 -59.630 13.793 1.00 11.41 H new ATOM 0 HB2 GLN A 130 14.665 -59.045 11.352 1.00 53.23 H new ATOM 0 HB3 GLN A 130 14.829 -60.732 11.799 1.00 53.23 H new ATOM 0 HG2 GLN A 130 12.553 -61.172 11.551 1.00 2.14 H new ATOM 0 HG3 GLN A 130 12.085 -59.507 11.833 1.00 2.14 H new ATOM 0 HE21 GLN A 130 13.810 -61.617 9.497 1.00 20.23 H new ATOM 0 HE22 GLN A 130 13.339 -60.703 8.060 1.00 20.23 H new ATOM 2048 N ASN A 131 14.775 -61.583 14.404 1.00 20.41 N ATOM 2049 CA ASN A 131 15.620 -62.513 15.144 1.00 32.40 C ATOM 2050 C ASN A 131 15.470 -63.932 14.603 1.00 61.33 C ATOM 2051 O ASN A 131 15.235 -64.875 15.360 1.00 71.44 O ATOM 2052 CB ASN A 131 15.267 -62.484 16.632 1.00 40.23 C ATOM 2053 CG ASN A 131 15.526 -61.127 17.260 1.00 72.42 C ATOM 2054 OD1 ASN A 131 14.597 -60.357 17.506 1.00 73.42 O ATOM 2055 ND2 ASN A 131 16.793 -60.830 17.523 1.00 20.02 N ATOM 0 H ASN A 131 13.894 -61.981 14.079 1.00 20.41 H new ATOM 0 HA ASN A 131 16.657 -62.201 15.018 1.00 32.40 H new ATOM 0 HB2 ASN A 131 14.217 -62.746 16.759 1.00 40.23 H new ATOM 0 HB3 ASN A 131 15.850 -63.241 17.156 1.00 40.23 H new ATOM 0 HD21 ASN A 131 17.029 -59.932 17.946 1.00 20.02 H new ATOM 0 HD22 ASN A 131 17.530 -61.499 17.302 1.00 20.02 H new ATOM 2062 N TYR A 132 15.606 -64.077 13.289 1.00 0.34 N ATOM 2063 CA TYR A 132 15.484 -65.380 12.647 1.00 51.32 C ATOM 2064 C TYR A 132 14.130 -66.013 12.952 1.00 5.41 C ATOM 2065 O TYR A 132 13.567 -66.680 12.086 1.00 63.03 O ATOM 2066 CB TYR A 132 16.610 -66.306 13.108 1.00 65.12 C ATOM 2067 CG TYR A 132 17.902 -66.116 12.347 1.00 43.23 C ATOM 2068 CD1 TYR A 132 18.637 -64.944 12.469 1.00 43.50 C ATOM 2069 CD2 TYR A 132 18.388 -67.109 11.504 1.00 74.12 C ATOM 2070 CE1 TYR A 132 19.818 -64.766 11.775 1.00 52.43 C ATOM 2071 CE2 TYR A 132 19.568 -66.940 10.807 1.00 11.21 C ATOM 2072 CZ TYR A 132 20.280 -65.766 10.945 1.00 12.43 C ATOM 2073 OH TYR A 132 21.456 -65.593 10.253 1.00 1.23 O ATOM 0 H TYR A 132 15.801 -63.308 12.648 1.00 0.34 H new ATOM 0 HA TYR A 132 15.561 -65.235 11.569 1.00 51.32 H new ATOM 0 HB2 TYR A 132 16.795 -66.138 14.169 1.00 65.12 H new ATOM 0 HB3 TYR A 132 16.284 -67.341 13.001 1.00 65.12 H new ATOM 0 HD1 TYR A 132 18.279 -64.158 13.118 1.00 43.50 H new ATOM 0 HD2 TYR A 132 17.833 -68.029 11.392 1.00 74.12 H new ATOM 0 HE1 TYR A 132 20.377 -63.848 11.882 1.00 52.43 H new ATOM 0 HE2 TYR A 132 19.932 -67.722 10.157 1.00 11.21 H new ATOM 0 HH TYR A 132 21.640 -66.391 9.715 1.00 1.23 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 -5.157 -25.217 0.719 1.00 31.32 N HETATM 2085 P 8SP A 300 -2.246 -23.810 4.128 1.00 71.35 P HETATM 2086 OG 8SP A 300 -2.921 -24.261 2.750 1.00 3.25 O HETATM 2087 C1A 8SP A 300 -2.391 -30.235 4.658 1.00 45.21 C HETATM 2088 O1A 8SP A 300 -1.586 -31.122 5.030 1.00 43.13 O HETATM 2089 C1B 8SP A 300 1.118 -26.447 2.427 1.00 60.24 C HETATM 2090 O1B 8SP A 300 0.235 -26.649 1.560 1.00 51.42 O HETATM 2091 CB 8SP A 300 -4.165 -23.647 2.348 1.00 4.21 C HETATM 2092 C1G 8SP A 300 -0.578 -28.710 3.853 1.00 14.34 C HETATM 2093 O1G 8SP A 300 -1.940 -29.073 4.103 1.00 74.34 O HETATM 2094 C2A 8SP A 300 -3.855 -30.403 4.774 1.00 52.32 C HETATM 2095 C2B 8SP A 300 2.380 -25.745 2.106 1.00 42.05 C HETATM 2096 CA 8SP A 300 -5.292 -24.677 2.085 1.00 42.42 C HETATM 2097 C2G 8SP A 300 -0.293 -27.272 4.351 1.00 2.22 C HETATM 2098 O2G 8SP A 300 0.926 -26.839 3.720 1.00 35.53 O HETATM 2099 O2P 8SP A 300 -1.574 -22.512 4.043 1.00 75.34 O HETATM 2100 C3A 8SP A 300 -4.589 -29.326 5.620 1.00 51.14 C HETATM 2101 C3B 8SP A 300 2.413 -24.233 2.463 1.00 3.45 C HETATM 2102 C 8SP A 300 -6.646 -24.111 2.239 1.00 74.43 C HETATM 2103 O 8SP A 300 -7.603 -24.519 1.544 1.00 71.23 O HETATM 2104 OXT 8SP A 300 -6.891 -23.163 3.177 1.00 61.23 O HETATM 2105 C3G 8SP A 300 -1.478 -26.296 4.104 1.00 12.14 C HETATM 2106 O3G 8SP A 300 -1.197 -24.946 4.550 1.00 4.41 O HETATM 2107 O3P 8SP A 300 -3.368 -23.764 5.244 1.00 40.11 O HETATM 2108 C4A 8SP A 300 -6.093 -29.655 5.818 1.00 34.42 C HETATM 2109 C4B 8SP A 300 3.808 -23.588 2.237 1.00 11.52 C HETATM 2110 C5A 8SP A 300 -6.913 -29.535 4.507 1.00 41.12 C HETATM 2111 C5B 8SP A 300 3.741 -22.307 1.360 1.00 75.34 C HETATM 2112 C6A 8SP A 300 -8.386 -29.113 4.760 1.00 21.34 C HETATM 2113 C6B 8SP A 300 4.917 -21.329 1.625 1.00 71.33 C HETATM 2114 C7A 8SP A 300 -9.107 -28.658 3.463 1.00 61.42 C HETATM 2115 C7B 8SP A 300 4.821 -20.037 0.770 1.00 72.42 C HETATM 2116 C8A 8SP A 300 -9.664 -27.221 3.562 1.00 74.42 C HETATM 2117 C8B 8SP A 300 4.884 -20.311 -0.750 1.00 72.41 C HETATM 0 H38B 8SP A 300 5.828 -20.798 -0.993 1.00 72.41 H new HETATM 0 H38A 8SP A 300 -10.383 -27.165 4.380 1.00 74.42 H new HETATM 0 H28B 8SP A 300 4.056 -20.959 -1.037 1.00 72.41 H new HETATM 0 H28A 8SP A 300 -8.846 -26.526 3.750 1.00 74.42 H new HETATM 0 H27B 8SP A 300 3.888 -19.523 1.002 1.00 72.42 H new HETATM 0 H27A 8SP A 300 -8.411 -28.716 2.626 1.00 61.42 H new HETATM 0 H26B 8SP A 300 4.931 -21.061 2.681 1.00 71.33 H new HETATM 0 H26A 8SP A 300 -8.930 -29.950 5.199 1.00 21.34 H new HETATM 0 H25B 8SP A 300 3.743 -22.593 0.308 1.00 75.34 H new HETATM 0 H25A 8SP A 300 -6.438 -28.806 3.851 1.00 41.12 H new HETATM 0 H24B 8SP A 300 4.250 -23.340 3.202 1.00 11.52 H new HETATM 0 H24A 8SP A 300 -6.190 -30.667 6.210 1.00 34.42 H new HETATM 0 H23G 8SP A 300 -1.714 -26.280 3.040 1.00 12.14 H new HETATM 0 H23B 8SP A 300 1.673 -23.706 1.860 1.00 3.45 H new HETATM 0 H23A 8SP A 300 -4.107 -29.242 6.594 1.00 51.14 H new HETATM 0 H22B 8SP A 300 3.196 -26.242 2.631 1.00 42.05 H new HETATM 0 H22A 8SP A 300 -4.283 -30.406 3.772 1.00 52.32 H new HETATM 0 H21G 8SP A 300 0.088 -29.412 4.354 1.00 14.34 H new HETATM 0 H18B 8SP A 300 4.812 -19.369 -1.293 1.00 72.41 H new HETATM 0 H18A 8SP A 300 -10.157 -26.957 2.627 1.00 74.42 H new HETATM 0 H17B 8SP A 300 5.633 -19.364 1.046 1.00 72.42 H new HETATM 0 H17A 8SP A 300 -9.924 -29.346 3.246 1.00 61.42 H new HETATM 0 H16B 8SP A 300 5.860 -21.833 1.411 1.00 71.33 H new HETATM 0 H16A 8SP A 300 -8.408 -28.302 5.487 1.00 21.34 H new HETATM 0 H15B 8SP A 300 2.799 -21.793 1.549 1.00 75.34 H new HETATM 0 H15A 8SP A 300 -6.898 -30.491 3.984 1.00 41.12 H new HETATM 0 H14B 8SP A 300 4.467 -24.315 1.762 1.00 11.52 H new HETATM 0 H14A 8SP A 300 -6.512 -28.982 6.566 1.00 34.42 H new HETATM 0 H13G 8SP A 300 -2.363 -26.668 4.621 1.00 12.14 H new HETATM 0 H13B 8SP A 300 2.124 -24.105 3.506 1.00 3.45 H new HETATM 0 H13A 8SP A 300 -4.493 -28.356 5.132 1.00 51.14 H new HETATM 0 H12B 8SP A 300 2.574 -25.853 1.039 1.00 42.05 H new HETATM 0 H12A 8SP A 300 -4.057 -31.382 5.210 1.00 52.32 H new HETATM 0 H11G 8SP A 300 -0.369 -28.778 2.785 1.00 14.34 H new HETATM 0 HXT 8SP A 300 -6.406 -23.383 3.999 1.00 61.23 H new HETATM 0 HB3 8SP A 300 -3.999 -23.060 1.445 1.00 4.21 H new HETATM 0 HB2 8SP A 300 -4.489 -22.953 3.124 1.00 4.21 H new HETATM 0 HA 8SP A 300 -5.179 -25.461 2.834 1.00 42.42 H new HETATM 0 H2G 8SP A 300 -0.176 -27.272 5.435 1.00 2.22 H new HETATM 0 H2 8SP A 300 -5.821 -25.912 0.378 1.00 31.32 H new HETATM 0 H 8SP A 300 -4.400 -24.895 0.116 1.00 31.32 H new