USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot -140:sc= 0.0995 USER MOD Set 1.2: A 142 SER OG : rot 136:sc= 0.629 USER MOD Set 2.1: A 21 SER OG : rot 150:sc= -1.33 USER MOD Set 2.2: A 52 GLN : amide:sc= 0 K(o=-1.3,f=-2.6) USER MOD Set 3.1: A 16 GLN : amide:sc= -5.32! C(o=-5.9!,f=-9.2!) USER MOD Set 3.2: A 17 MET CE :methyl -177:sc= -0.607 (180deg=-0.662) USER MOD Single : A 1 CYS N :NH3+ 141:sc= 0.214 (180deg=0.0511) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.46) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0122 F(o=-1.6!,f=-0.012) USER MOD Single : A 11 THR OG1 : rot -13:sc= 0.704 USER MOD Single : A 15 SER OG : rot -55:sc= 0.174 USER MOD Single : A 18 SER OG : rot 52:sc= 0.899 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -123:sc= 1.29 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-4.8!) USER MOD Single : A 42 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0144 (180deg=-0.143) USER MOD Single : A 47 ASN :FLIP amide:sc= -3.54! F(o=-4.1,f=-3.5!) USER MOD Single : A 50 THR OG1 : rot 126:sc= -0.466 USER MOD Single : A 53 SER OG : rot 81:sc= 0.0785 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.57 F(o=-3.3,f=-2.6) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.21 K(o=-1.2,f=-5!) USER MOD Single : A 66 THR OG1 : rot -24:sc= 0.388 USER MOD Single : A 67 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.49) USER MOD Single : A 69 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 71 THR OG1 : rot -130:sc=-0.00319 USER MOD Single : A 75 THR OG1 : rot 28:sc= -3.44! USER MOD Single : A 76 GLN :FLIP amide:sc= -0.392 F(o=-1.1,f=-0.39) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 85 GLN : amide:sc= -2.51 K(o=-2.5,f=-10!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 91 LYS NZ :NH3+ -116:sc= 0.604 (180deg=-0.443) USER MOD Single : A 94 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-2.8!) USER MOD Single : A 95 SER OG : rot 137:sc= 1.61 USER MOD Single : A 100 GLN : amide:sc= -0.0908 X(o=-0.091,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0339 F(o=-0.76,f=-0.034) USER MOD Single : A 116 ASN : amide:sc= -0.725 X(o=-0.72,f=-0.93) USER MOD Single : A 119 ASN : amide:sc= -3.38 K(o=-3.4,f=-8!) USER MOD Single : A 120 ASN : amide:sc=-0.00612 X(o=-0.0061,f=-0.32) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HE2:sc= -3.52 K(o=-3.5,f=-8.9!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4) USER MOD Single : A 129 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0383) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 145 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.3) USER MOD Single : A 148 THR OG1 : rot 63:sc= -0.0627 USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.165 15.088 -14.179 1.00 1.30 N ATOM 75 CA CYS A 1 2.967 14.430 -12.894 1.00 34.52 C ATOM 76 C CYS A 1 2.940 12.913 -13.058 1.00 73.35 C ATOM 77 O CYS A 1 3.211 12.391 -14.138 1.00 64.14 O ATOM 78 CB CYS A 1 1.665 14.907 -12.247 1.00 53.01 C ATOM 79 SG CYS A 1 1.581 16.708 -11.988 1.00 75.04 S ATOM 0 H1 CYS A 1 2.576 15.944 -14.225 1.00 1.30 H new ATOM 0 H2 CYS A 1 4.166 15.350 -14.284 1.00 1.30 H new ATOM 0 H3 CYS A 1 2.894 14.440 -14.946 1.00 1.30 H new ATOM 0 HA CYS A 1 3.804 14.694 -12.247 1.00 34.52 H new ATOM 0 HB2 CYS A 1 0.827 14.601 -12.873 1.00 53.01 H new ATOM 0 HB3 CYS A 1 1.544 14.406 -11.286 1.00 53.01 H new ATOM 83 N SER A 2 2.609 12.212 -11.978 1.00 54.10 N ATOM 84 CA SER A 2 2.550 10.755 -12.000 1.00 52.34 C ATOM 85 C SER A 2 3.925 10.160 -12.285 1.00 40.21 C ATOM 86 O SER A 2 4.136 9.527 -13.319 1.00 21.42 O ATOM 87 CB SER A 2 1.548 10.281 -13.054 1.00 43.44 C ATOM 88 OG SER A 2 0.490 11.212 -13.208 1.00 34.21 O ATOM 0 H SER A 2 2.378 12.630 -11.077 1.00 54.10 H new ATOM 0 HA SER A 2 2.223 10.414 -11.018 1.00 52.34 H new ATOM 0 HB2 SER A 2 2.057 10.143 -14.008 1.00 43.44 H new ATOM 0 HB3 SER A 2 1.144 9.311 -12.765 1.00 43.44 H new ATOM 0 HG SER A 2 -0.136 10.887 -13.888 1.00 34.21 H new ATOM 93 N GLU A 3 4.856 10.369 -11.360 1.00 22.45 N ATOM 94 CA GLU A 3 6.212 9.853 -11.511 1.00 3.40 C ATOM 95 C GLU A 3 6.477 8.721 -10.524 1.00 13.03 C ATOM 96 O GLU A 3 5.871 8.640 -9.455 1.00 43.15 O ATOM 97 CB GLU A 3 7.234 10.973 -11.306 1.00 41.34 C ATOM 98 CG GLU A 3 7.072 12.129 -12.280 1.00 33.12 C ATOM 99 CD GLU A 3 7.532 11.780 -13.682 1.00 4.34 C ATOM 100 OE1 GLU A 3 6.719 11.233 -14.455 1.00 31.21 O ATOM 101 OE2 GLU A 3 8.707 12.054 -14.005 1.00 3.54 O ATOM 0 H GLU A 3 4.697 10.892 -10.499 1.00 22.45 H new ATOM 0 HA GLU A 3 6.312 9.460 -12.523 1.00 3.40 H new ATOM 0 HB2 GLU A 3 7.147 11.352 -10.288 1.00 41.34 H new ATOM 0 HB3 GLU A 3 8.238 10.561 -11.408 1.00 41.34 H new ATOM 0 HG2 GLU A 3 6.025 12.430 -12.310 1.00 33.12 H new ATOM 0 HG3 GLU A 3 7.640 12.986 -11.918 1.00 33.12 H new ATOM 106 N PRO A 4 7.405 7.823 -10.888 1.00 13.43 N ATOM 107 CA PRO A 4 7.774 6.680 -10.047 1.00 44.43 C ATOM 108 C PRO A 4 8.532 7.101 -8.794 1.00 40.32 C ATOM 109 O PRO A 4 7.932 7.337 -7.744 1.00 23.12 O ATOM 110 CB PRO A 4 8.674 5.844 -10.961 1.00 1.21 C ATOM 111 CG PRO A 4 9.237 6.821 -11.936 1.00 34.43 C ATOM 112 CD PRO A 4 8.169 7.857 -12.146 1.00 44.35 C ATOM 0 HA PRO A 4 6.898 6.144 -9.681 1.00 44.43 H new ATOM 0 HB2 PRO A 4 9.464 5.350 -10.395 1.00 1.21 H new ATOM 0 HB3 PRO A 4 8.108 5.062 -11.467 1.00 1.21 H new ATOM 0 HG2 PRO A 4 10.150 7.274 -11.551 1.00 34.43 H new ATOM 0 HG3 PRO A 4 9.495 6.331 -12.875 1.00 34.43 H new ATOM 0 HD2 PRO A 4 8.597 8.843 -12.329 1.00 44.35 H new ATOM 0 HD3 PRO A 4 7.541 7.617 -13.004 1.00 44.35 H new ATOM 117 N LEU A 5 9.852 7.195 -8.910 1.00 71.51 N ATOM 118 CA LEU A 5 10.692 7.588 -7.784 1.00 10.41 C ATOM 119 C LEU A 5 12.148 7.730 -8.216 1.00 35.41 C ATOM 120 O LEU A 5 12.778 8.761 -7.984 1.00 44.11 O ATOM 121 CB LEU A 5 10.580 6.562 -6.655 1.00 52.23 C ATOM 122 CG LEU A 5 10.687 5.094 -7.069 1.00 53.32 C ATOM 123 CD1 LEU A 5 12.059 4.540 -6.718 1.00 51.05 C ATOM 124 CD2 LEU A 5 9.592 4.272 -6.405 1.00 53.42 C ATOM 0 H LEU A 5 10.363 7.005 -9.772 1.00 71.51 H new ATOM 0 HA LEU A 5 10.343 8.555 -7.422 1.00 10.41 H new ATOM 0 HB2 LEU A 5 11.361 6.770 -5.923 1.00 52.23 H new ATOM 0 HB3 LEU A 5 9.624 6.708 -6.152 1.00 52.23 H new ATOM 0 HG LEU A 5 10.557 5.030 -8.149 1.00 53.32 H new ATOM 0 HD11 LEU A 5 12.117 3.494 -7.020 1.00 51.05 H new ATOM 0 HD12 LEU A 5 12.827 5.112 -7.240 1.00 51.05 H new ATOM 0 HD13 LEU A 5 12.218 4.617 -5.642 1.00 51.05 H new ATOM 0 HD21 LEU A 5 9.683 3.230 -6.711 1.00 53.42 H new ATOM 0 HD22 LEU A 5 9.691 4.342 -5.322 1.00 53.42 H new ATOM 0 HD23 LEU A 5 8.617 4.654 -6.706 1.00 53.42 H new ATOM 135 N GLY A 6 12.677 6.686 -8.847 1.00 2.12 N ATOM 136 CA GLY A 6 14.055 6.715 -9.303 1.00 14.13 C ATOM 137 C GLY A 6 14.225 6.091 -10.674 1.00 31.00 C ATOM 138 O GLY A 6 15.288 5.557 -10.993 1.00 5.42 O ATOM 0 H GLY A 6 12.176 5.821 -9.051 1.00 2.12 H new ATOM 0 HA2 GLY A 6 14.403 7.747 -9.331 1.00 14.13 H new ATOM 0 HA3 GLY A 6 14.683 6.186 -8.586 1.00 14.13 H new ATOM 142 N LEU A 7 13.176 6.156 -11.485 1.00 43.54 N ATOM 143 CA LEU A 7 13.213 5.591 -12.831 1.00 72.21 C ATOM 144 C LEU A 7 13.206 6.694 -13.885 1.00 21.33 C ATOM 145 O LEU A 7 13.138 6.422 -15.083 1.00 4.32 O ATOM 146 CB LEU A 7 12.022 4.657 -13.046 1.00 22.31 C ATOM 147 CG LEU A 7 12.011 3.379 -12.205 1.00 44.51 C ATOM 148 CD1 LEU A 7 10.589 2.869 -12.026 1.00 13.52 C ATOM 149 CD2 LEU A 7 12.885 2.312 -12.847 1.00 24.34 C ATOM 0 H LEU A 7 12.289 6.594 -11.236 1.00 43.54 H new ATOM 0 HA LEU A 7 14.137 5.021 -12.934 1.00 72.21 H new ATOM 0 HB2 LEU A 7 11.108 5.213 -12.838 1.00 22.31 H new ATOM 0 HB3 LEU A 7 11.992 4.376 -14.099 1.00 22.31 H new ATOM 0 HG LEU A 7 12.418 3.611 -11.221 1.00 44.51 H new ATOM 0 HD11 LEU A 7 10.602 1.960 -11.425 1.00 13.52 H new ATOM 0 HD12 LEU A 7 9.991 3.628 -11.522 1.00 13.52 H new ATOM 0 HD13 LEU A 7 10.154 2.653 -13.002 1.00 13.52 H new ATOM 0 HD21 LEU A 7 12.866 1.410 -12.236 1.00 24.34 H new ATOM 0 HD22 LEU A 7 12.507 2.083 -13.844 1.00 24.34 H new ATOM 0 HD23 LEU A 7 13.909 2.677 -12.922 1.00 24.34 H new ATOM 160 N LYS A 8 13.277 7.940 -13.431 1.00 71.30 N ATOM 161 CA LYS A 8 13.283 9.085 -14.333 1.00 74.55 C ATOM 162 C LYS A 8 14.664 9.728 -14.388 1.00 53.30 C ATOM 163 O LYS A 8 15.126 10.139 -15.452 1.00 41.24 O ATOM 164 CB LYS A 8 12.245 10.118 -13.886 1.00 33.24 C ATOM 165 CG LYS A 8 11.475 10.744 -15.036 1.00 3.22 C ATOM 166 CD LYS A 8 10.517 9.751 -15.671 1.00 40.10 C ATOM 167 CE LYS A 8 10.831 9.537 -17.144 1.00 74.14 C ATOM 168 NZ LYS A 8 9.908 8.551 -17.770 1.00 45.15 N ATOM 0 H LYS A 8 13.331 8.183 -12.442 1.00 71.30 H new ATOM 0 HA LYS A 8 13.027 8.730 -15.331 1.00 74.55 H new ATOM 0 HB2 LYS A 8 11.540 9.641 -13.205 1.00 33.24 H new ATOM 0 HB3 LYS A 8 12.747 10.906 -13.325 1.00 33.24 H new ATOM 0 HG2 LYS A 8 10.918 11.608 -14.674 1.00 3.22 H new ATOM 0 HG3 LYS A 8 12.175 11.108 -15.788 1.00 3.22 H new ATOM 0 HD2 LYS A 8 10.576 8.799 -15.143 1.00 40.10 H new ATOM 0 HD3 LYS A 8 9.494 10.112 -15.565 1.00 40.10 H new ATOM 0 HE2 LYS A 8 10.760 10.488 -17.672 1.00 74.14 H new ATOM 0 HE3 LYS A 8 11.859 9.190 -17.250 1.00 74.14 H new ATOM 0 HZ1 LYS A 8 10.155 8.433 -18.773 1.00 45.15 H new ATOM 0 HZ2 LYS A 8 9.994 7.636 -17.282 1.00 45.15 H new ATOM 0 HZ3 LYS A 8 8.929 8.894 -17.692 1.00 45.15 H new ATOM 178 N ASN A 9 15.320 9.810 -13.235 1.00 11.35 N ATOM 179 CA ASN A 9 16.651 10.402 -13.154 1.00 73.21 C ATOM 180 C ASN A 9 17.173 10.372 -11.720 1.00 52.15 C ATOM 181 O ASN A 9 18.377 10.279 -11.489 1.00 11.21 O ATOM 182 CB ASN A 9 16.623 11.843 -13.667 1.00 55.43 C ATOM 183 CG ASN A 9 17.415 12.016 -14.949 1.00 3.25 C ATOM 184 OD1 ASN A 9 16.849 12.061 -16.041 1.00 41.32 O ATOM 185 ND2 ASN A 9 18.733 12.112 -14.821 1.00 35.12 N ATOM 0 H ASN A 9 14.952 9.474 -12.345 1.00 11.35 H new ATOM 0 HA ASN A 9 17.322 9.813 -13.779 1.00 73.21 H new ATOM 0 HB2 ASN A 9 15.590 12.145 -13.838 1.00 55.43 H new ATOM 0 HB3 ASN A 9 17.026 12.506 -12.902 1.00 55.43 H new ATOM 0 HD21 ASN A 9 19.319 12.228 -15.648 1.00 35.12 H new ATOM 0 HD22 ASN A 9 19.160 12.070 -13.896 1.00 35.12 H new ATOM 191 N ASN A 10 16.256 10.450 -10.761 1.00 20.11 N ATOM 192 CA ASN A 10 16.623 10.431 -9.350 1.00 74.41 C ATOM 193 C ASN A 10 17.417 9.173 -9.011 1.00 52.05 C ATOM 194 O ASN A 10 18.248 9.176 -8.103 1.00 21.51 O ATOM 195 CB ASN A 10 15.370 10.510 -8.475 1.00 30.34 C ATOM 196 CG ASN A 10 14.824 11.920 -8.372 1.00 61.24 C ATOM 197 OD1 ASN A 10 14.803 12.629 -9.495 1.00 55.12 O flip ATOM 198 ND2 ASN A 10 14.425 12.367 -7.296 1.00 72.32 N flip ATOM 0 H ASN A 10 15.254 10.527 -10.935 1.00 20.11 H new ATOM 0 HA ASN A 10 17.251 11.299 -9.151 1.00 74.41 H new ATOM 0 HB2 ASN A 10 14.602 9.855 -8.886 1.00 30.34 H new ATOM 0 HB3 ASN A 10 15.604 10.140 -7.477 1.00 30.34 H new ATOM 0 HD21 ASN A 10 14.460 11.786 -6.458 1.00 72.32 H new ATOM 0 HD22 ASN A 10 14.060 13.318 -7.243 1.00 72.32 H new ATOM 204 N THR A 11 17.154 8.098 -9.747 1.00 40.52 N ATOM 205 CA THR A 11 17.842 6.833 -9.525 1.00 15.14 C ATOM 206 C THR A 11 17.806 6.439 -8.053 1.00 24.05 C ATOM 207 O THR A 11 18.735 5.807 -7.547 1.00 14.53 O ATOM 208 CB THR A 11 19.309 6.901 -9.991 1.00 41.32 C ATOM 209 OG1 THR A 11 20.090 7.640 -9.045 1.00 51.23 O ATOM 210 CG2 THR A 11 19.411 7.555 -11.361 1.00 52.24 C ATOM 0 H THR A 11 16.469 8.078 -10.502 1.00 40.52 H new ATOM 0 HA THR A 11 17.317 6.080 -10.113 1.00 15.14 H new ATOM 0 HB THR A 11 19.693 5.883 -10.062 1.00 41.32 H new ATOM 0 HG1 THR A 11 19.494 8.112 -8.426 1.00 51.23 H new ATOM 0 HG21 THR A 11 20.456 7.592 -11.670 1.00 52.24 H new ATOM 0 HG22 THR A 11 18.839 6.974 -12.085 1.00 52.24 H new ATOM 0 HG23 THR A 11 19.011 8.568 -11.311 1.00 52.24 H new ATOM 218 N ILE A 12 16.730 6.813 -7.371 1.00 71.14 N ATOM 219 CA ILE A 12 16.574 6.497 -5.957 1.00 23.42 C ATOM 220 C ILE A 12 16.834 5.018 -5.692 1.00 0.45 C ATOM 221 O ILE A 12 16.338 4.139 -6.397 1.00 23.31 O ATOM 222 CB ILE A 12 15.164 6.856 -5.452 1.00 72.45 C ATOM 223 CG1 ILE A 12 14.854 8.326 -5.741 1.00 42.14 C ATOM 224 CG2 ILE A 12 15.045 6.568 -3.962 1.00 3.33 C ATOM 225 CD1 ILE A 12 13.523 8.784 -5.185 1.00 13.43 C ATOM 0 H ILE A 12 15.953 7.336 -7.775 1.00 71.14 H new ATOM 0 HA ILE A 12 17.308 7.095 -5.418 1.00 23.42 H new ATOM 0 HB ILE A 12 14.437 6.239 -5.981 1.00 72.45 H new ATOM 0 HG12 ILE A 12 15.646 8.945 -5.321 1.00 42.14 H new ATOM 0 HG13 ILE A 12 14.862 8.485 -6.819 1.00 42.14 H new ATOM 0 HG21 ILE A 12 14.043 6.827 -3.620 1.00 3.33 H new ATOM 0 HG22 ILE A 12 15.228 5.509 -3.780 1.00 3.33 H new ATOM 0 HG23 ILE A 12 15.779 7.162 -3.417 1.00 3.33 H new ATOM 0 HD11 ILE A 12 13.370 9.836 -5.428 1.00 13.43 H new ATOM 0 HD12 ILE A 12 12.721 8.190 -5.624 1.00 13.43 H new ATOM 0 HD13 ILE A 12 13.518 8.657 -4.102 1.00 13.43 H new ATOM 236 N PRO A 13 17.632 4.735 -4.653 1.00 35.53 N ATOM 237 CA PRO A 13 17.976 3.362 -4.269 1.00 62.31 C ATOM 238 C PRO A 13 16.785 2.608 -3.687 1.00 4.12 C ATOM 239 O PRO A 13 15.648 3.073 -3.760 1.00 34.22 O ATOM 240 CB PRO A 13 19.060 3.552 -3.205 1.00 34.55 C ATOM 241 CG PRO A 13 18.801 4.904 -2.637 1.00 72.23 C ATOM 242 CD PRO A 13 18.260 5.732 -3.769 1.00 54.04 C ATOM 0 HA PRO A 13 18.299 2.768 -5.124 1.00 62.31 H new ATOM 0 HB2 PRO A 13 18.999 2.782 -2.436 1.00 34.55 H new ATOM 0 HB3 PRO A 13 20.057 3.490 -3.641 1.00 34.55 H new ATOM 0 HG2 PRO A 13 18.086 4.852 -1.816 1.00 72.23 H new ATOM 0 HG3 PRO A 13 19.716 5.341 -2.236 1.00 72.23 H new ATOM 0 HD2 PRO A 13 17.538 6.469 -3.418 1.00 54.04 H new ATOM 0 HD3 PRO A 13 19.052 6.280 -4.280 1.00 54.04 H new ATOM 247 N ASP A 14 17.054 1.440 -3.111 1.00 53.42 N ATOM 248 CA ASP A 14 16.005 0.622 -2.516 1.00 41.25 C ATOM 249 C ASP A 14 15.887 0.893 -1.019 1.00 51.30 C ATOM 250 O ASP A 14 15.394 0.056 -0.263 1.00 4.13 O ATOM 251 CB ASP A 14 16.287 -0.861 -2.757 1.00 63.23 C ATOM 252 CG ASP A 14 17.728 -1.232 -2.466 1.00 52.13 C ATOM 253 OD1 ASP A 14 18.086 -1.327 -1.273 1.00 5.45 O ATOM 254 OD2 ASP A 14 18.497 -1.427 -3.430 1.00 2.22 O ATOM 0 H ASP A 14 17.990 1.040 -3.044 1.00 53.42 H new ATOM 0 HA ASP A 14 15.060 0.886 -2.990 1.00 41.25 H new ATOM 0 HB2 ASP A 14 15.627 -1.460 -2.129 1.00 63.23 H new ATOM 0 HB3 ASP A 14 16.053 -1.109 -3.792 1.00 63.23 H new ATOM 258 N SER A 15 16.344 2.068 -0.599 1.00 33.33 N ATOM 259 CA SER A 15 16.295 2.448 0.809 1.00 64.01 C ATOM 260 C SER A 15 15.042 3.268 1.107 1.00 30.24 C ATOM 261 O SER A 15 15.092 4.246 1.852 1.00 64.22 O ATOM 262 CB SER A 15 17.543 3.247 1.187 1.00 22.22 C ATOM 263 OG SER A 15 17.684 3.337 2.594 1.00 62.51 O ATOM 0 H SER A 15 16.752 2.773 -1.212 1.00 33.33 H new ATOM 0 HA SER A 15 16.262 1.536 1.405 1.00 64.01 H new ATOM 0 HB2 SER A 15 18.426 2.772 0.760 1.00 22.22 H new ATOM 0 HB3 SER A 15 17.481 4.248 0.760 1.00 22.22 H new ATOM 0 HG SER A 15 16.864 3.707 2.982 1.00 62.51 H new ATOM 268 N GLN A 16 13.922 2.861 0.519 1.00 5.14 N ATOM 269 CA GLN A 16 12.658 3.557 0.720 1.00 73.54 C ATOM 270 C GLN A 16 11.616 2.627 1.333 1.00 73.41 C ATOM 271 O GLN A 16 10.956 2.978 2.311 1.00 61.23 O ATOM 272 CB GLN A 16 12.142 4.116 -0.606 1.00 4.21 C ATOM 273 CG GLN A 16 12.143 3.099 -1.736 1.00 40.03 C ATOM 274 CD GLN A 16 11.826 3.721 -3.082 1.00 53.20 C ATOM 275 OE1 GLN A 16 10.957 3.242 -3.812 1.00 52.30 O ATOM 276 NE2 GLN A 16 12.532 4.794 -3.419 1.00 51.51 N ATOM 0 H GLN A 16 13.865 2.053 -0.100 1.00 5.14 H new ATOM 0 HA GLN A 16 12.833 4.382 1.410 1.00 73.54 H new ATOM 0 HB2 GLN A 16 11.127 4.488 -0.464 1.00 4.21 H new ATOM 0 HB3 GLN A 16 12.756 4.969 -0.895 1.00 4.21 H new ATOM 0 HG2 GLN A 16 13.119 2.616 -1.784 1.00 40.03 H new ATOM 0 HG3 GLN A 16 11.412 2.320 -1.519 1.00 40.03 H new ATOM 0 HE21 GLN A 16 13.242 5.157 -2.784 1.00 51.51 H new ATOM 0 HE22 GLN A 16 12.364 5.255 -4.313 1.00 51.51 H new ATOM 283 N MET A 17 11.474 1.441 0.752 1.00 45.35 N ATOM 284 CA MET A 17 10.512 0.460 1.242 1.00 43.13 C ATOM 285 C MET A 17 11.136 -0.423 2.317 1.00 63.11 C ATOM 286 O MET A 17 12.358 -0.536 2.408 1.00 10.05 O ATOM 287 CB MET A 17 10.000 -0.404 0.088 1.00 61.33 C ATOM 288 CG MET A 17 9.037 0.324 -0.836 1.00 70.42 C ATOM 289 SD MET A 17 9.321 -0.058 -2.575 1.00 33.23 S ATOM 290 CE MET A 17 8.374 1.239 -3.366 1.00 73.35 C ATOM 0 H MET A 17 12.012 1.135 -0.059 1.00 45.35 H new ATOM 0 HA MET A 17 9.673 0.999 1.682 1.00 43.13 H new ATOM 0 HB2 MET A 17 10.850 -0.759 -0.494 1.00 61.33 H new ATOM 0 HB3 MET A 17 9.503 -1.284 0.497 1.00 61.33 H new ATOM 0 HG2 MET A 17 8.014 0.057 -0.572 1.00 70.42 H new ATOM 0 HG3 MET A 17 9.135 1.399 -0.683 1.00 70.42 H new ATOM 0 HE1 MET A 17 8.407 1.106 -4.447 1.00 73.35 H new ATOM 0 HE2 MET A 17 7.339 1.193 -3.026 1.00 73.35 H new ATOM 0 HE3 MET A 17 8.798 2.209 -3.107 1.00 73.35 H new ATOM 298 N SER A 18 10.290 -1.049 3.129 1.00 44.23 N ATOM 299 CA SER A 18 10.760 -1.920 4.200 1.00 44.24 C ATOM 300 C SER A 18 9.589 -2.620 4.883 1.00 44.21 C ATOM 301 O SER A 18 8.679 -1.973 5.398 1.00 61.54 O ATOM 302 CB SER A 18 11.556 -1.114 5.227 1.00 34.34 C ATOM 303 OG SER A 18 12.949 -1.216 4.986 1.00 53.51 O ATOM 0 H SER A 18 9.275 -0.969 3.065 1.00 44.23 H new ATOM 0 HA SER A 18 11.409 -2.678 3.761 1.00 44.24 H new ATOM 0 HB2 SER A 18 11.252 -0.068 5.187 1.00 34.34 H new ATOM 0 HB3 SER A 18 11.330 -1.474 6.231 1.00 34.34 H new ATOM 0 HG SER A 18 13.135 -1.000 4.049 1.00 53.51 H new ATOM 308 N ALA A 19 9.621 -3.949 4.882 1.00 44.11 N ATOM 309 CA ALA A 19 8.565 -4.739 5.502 1.00 70.30 C ATOM 310 C ALA A 19 9.065 -5.425 6.769 1.00 4.11 C ATOM 311 O ALA A 19 10.268 -5.477 7.025 1.00 11.42 O ATOM 312 CB ALA A 19 8.028 -5.768 4.519 1.00 5.24 C ATOM 0 H ALA A 19 10.367 -4.501 4.459 1.00 44.11 H new ATOM 0 HA ALA A 19 7.756 -4.063 5.781 1.00 70.30 H new ATOM 0 HB1 ALA A 19 7.240 -6.351 4.996 1.00 5.24 H new ATOM 0 HB2 ALA A 19 7.624 -5.259 3.644 1.00 5.24 H new ATOM 0 HB3 ALA A 19 8.835 -6.433 4.211 1.00 5.24 H new ATOM 318 N SER A 20 8.134 -5.951 7.559 1.00 51.00 N ATOM 319 CA SER A 20 8.480 -6.630 8.802 1.00 43.41 C ATOM 320 C SER A 20 9.560 -7.681 8.564 1.00 11.43 C ATOM 321 O SER A 20 10.504 -7.806 9.344 1.00 73.12 O ATOM 322 CB SER A 20 7.241 -7.286 9.412 1.00 73.43 C ATOM 323 OG SER A 20 7.393 -7.463 10.809 1.00 74.53 O ATOM 0 H SER A 20 7.134 -5.920 7.360 1.00 51.00 H new ATOM 0 HA SER A 20 8.868 -5.886 9.498 1.00 43.41 H new ATOM 0 HB2 SER A 20 6.364 -6.669 9.214 1.00 73.43 H new ATOM 0 HB3 SER A 20 7.066 -8.251 8.937 1.00 73.43 H new ATOM 0 HG SER A 20 6.587 -7.883 11.175 1.00 74.53 H new ATOM 328 N SER A 21 9.413 -8.435 7.480 1.00 3.33 N ATOM 329 CA SER A 21 10.373 -9.480 7.139 1.00 14.10 C ATOM 330 C SER A 21 10.025 -10.122 5.799 1.00 75.00 C ATOM 331 O SER A 21 8.890 -10.032 5.332 1.00 22.32 O ATOM 332 CB SER A 21 10.409 -10.546 8.235 1.00 72.10 C ATOM 333 OG SER A 21 11.375 -11.542 7.946 1.00 0.03 O ATOM 0 H SER A 21 8.639 -8.343 6.822 1.00 3.33 H new ATOM 0 HA SER A 21 11.358 -9.021 7.056 1.00 14.10 H new ATOM 0 HB2 SER A 21 10.638 -10.079 9.193 1.00 72.10 H new ATOM 0 HB3 SER A 21 9.426 -11.006 8.332 1.00 72.10 H new ATOM 0 HG SER A 21 11.729 -11.908 8.784 1.00 0.03 H new ATOM 338 N SER A 22 11.011 -10.770 5.187 1.00 52.22 N ATOM 339 CA SER A 22 10.812 -11.424 3.900 1.00 44.35 C ATOM 340 C SER A 22 10.888 -12.941 4.043 1.00 21.44 C ATOM 341 O SER A 22 11.264 -13.458 5.096 1.00 13.33 O ATOM 342 CB SER A 22 11.856 -10.943 2.892 1.00 4.23 C ATOM 343 OG SER A 22 13.009 -10.447 3.550 1.00 42.43 O ATOM 0 H SER A 22 11.956 -10.856 5.562 1.00 52.22 H new ATOM 0 HA SER A 22 9.819 -11.160 3.537 1.00 44.35 H new ATOM 0 HB2 SER A 22 12.135 -11.765 2.232 1.00 4.23 H new ATOM 0 HB3 SER A 22 11.427 -10.162 2.264 1.00 4.23 H new ATOM 0 HG SER A 22 13.177 -9.525 3.264 1.00 42.43 H new ATOM 348 N TYR A 23 10.527 -13.649 2.979 1.00 12.43 N ATOM 349 CA TYR A 23 10.553 -15.107 2.986 1.00 61.13 C ATOM 350 C TYR A 23 11.908 -15.626 3.455 1.00 30.23 C ATOM 351 O TYR A 23 12.946 -15.021 3.187 1.00 41.50 O ATOM 352 CB TYR A 23 10.240 -15.650 1.591 1.00 0.33 C ATOM 353 CG TYR A 23 11.375 -15.476 0.606 1.00 31.42 C ATOM 354 CD1 TYR A 23 11.699 -14.222 0.104 1.00 45.31 C ATOM 355 CD2 TYR A 23 12.122 -16.567 0.178 1.00 14.50 C ATOM 356 CE1 TYR A 23 12.734 -14.059 -0.796 1.00 51.14 C ATOM 357 CE2 TYR A 23 13.159 -16.413 -0.722 1.00 14.15 C ATOM 358 CZ TYR A 23 13.461 -15.157 -1.206 1.00 31.20 C ATOM 359 OH TYR A 23 14.493 -14.999 -2.103 1.00 34.25 O ATOM 0 H TYR A 23 10.213 -13.237 2.100 1.00 12.43 H new ATOM 0 HA TYR A 23 9.791 -15.455 3.683 1.00 61.13 H new ATOM 0 HB2 TYR A 23 9.996 -16.710 1.669 1.00 0.33 H new ATOM 0 HB3 TYR A 23 9.354 -15.147 1.204 1.00 0.33 H new ATOM 0 HD1 TYR A 23 11.132 -13.360 0.423 1.00 45.31 H new ATOM 0 HD2 TYR A 23 11.888 -17.552 0.555 1.00 14.50 H new ATOM 0 HE1 TYR A 23 12.973 -13.077 -1.177 1.00 51.14 H new ATOM 0 HE2 TYR A 23 13.730 -17.271 -1.045 1.00 14.15 H new ATOM 0 HH TYR A 23 14.903 -15.870 -2.287 1.00 34.25 H new ATOM 534 N TYR A 34 17.190 -6.614 -0.202 1.00 74.22 N ATOM 535 CA TYR A 34 16.395 -5.446 0.162 1.00 24.12 C ATOM 536 C TYR A 34 15.122 -5.373 -0.676 1.00 51.44 C ATOM 537 O TYR A 34 15.015 -5.976 -1.744 1.00 3.05 O ATOM 538 CB TYR A 34 17.213 -4.168 -0.020 1.00 10.53 C ATOM 539 CG TYR A 34 18.023 -3.788 1.200 1.00 43.52 C ATOM 540 CD1 TYR A 34 19.198 -4.460 1.514 1.00 52.12 C ATOM 541 CD2 TYR A 34 17.611 -2.760 2.038 1.00 12.34 C ATOM 542 CE1 TYR A 34 19.939 -4.117 2.628 1.00 15.24 C ATOM 543 CE2 TYR A 34 18.348 -2.409 3.152 1.00 64.42 C ATOM 544 CZ TYR A 34 19.512 -3.091 3.443 1.00 73.45 C ATOM 545 OH TYR A 34 20.247 -2.745 4.554 1.00 61.32 O ATOM 0 HA TYR A 34 16.114 -5.541 1.211 1.00 24.12 H new ATOM 0 HB2 TYR A 34 17.886 -4.295 -0.868 1.00 10.53 H new ATOM 0 HB3 TYR A 34 16.539 -3.348 -0.268 1.00 10.53 H new ATOM 0 HD1 TYR A 34 19.537 -5.263 0.877 1.00 52.12 H new ATOM 0 HD2 TYR A 34 16.699 -2.226 1.815 1.00 12.34 H new ATOM 0 HE1 TYR A 34 20.849 -4.651 2.859 1.00 15.24 H new ATOM 0 HE2 TYR A 34 18.015 -1.605 3.792 1.00 64.42 H new ATOM 0 HH TYR A 34 19.808 -2.002 5.018 1.00 61.32 H new ATOM 554 N PRO A 35 14.133 -4.613 -0.183 1.00 65.21 N ATOM 555 CA PRO A 35 12.850 -4.439 -0.870 1.00 21.42 C ATOM 556 C PRO A 35 12.981 -3.612 -2.143 1.00 44.42 C ATOM 557 O PRO A 35 14.087 -3.382 -2.635 1.00 24.33 O ATOM 558 CB PRO A 35 11.992 -3.701 0.161 1.00 31.45 C ATOM 559 CG PRO A 35 12.972 -2.987 1.027 1.00 51.24 C ATOM 560 CD PRO A 35 14.191 -3.865 1.084 1.00 55.51 C ATOM 0 HA PRO A 35 12.429 -5.391 -1.192 1.00 21.42 H new ATOM 0 HB2 PRO A 35 11.307 -3.003 -0.321 1.00 31.45 H new ATOM 0 HB3 PRO A 35 11.384 -4.396 0.740 1.00 31.45 H new ATOM 0 HG2 PRO A 35 13.215 -2.008 0.615 1.00 51.24 H new ATOM 0 HG3 PRO A 35 12.564 -2.821 2.024 1.00 51.24 H new ATOM 0 HD2 PRO A 35 15.106 -3.278 1.162 1.00 55.51 H new ATOM 0 HD3 PRO A 35 14.166 -4.532 1.946 1.00 55.51 H new ATOM 565 N HIS A 36 11.847 -3.166 -2.674 1.00 64.11 N ATOM 566 CA HIS A 36 11.836 -2.363 -3.891 1.00 55.42 C ATOM 567 C HIS A 36 12.352 -3.169 -5.080 1.00 64.53 C ATOM 568 O HIS A 36 13.178 -2.691 -5.857 1.00 54.42 O ATOM 569 CB HIS A 36 12.688 -1.105 -3.706 1.00 65.51 C ATOM 570 CG HIS A 36 12.482 -0.080 -4.777 1.00 34.31 C ATOM 571 ND1 HIS A 36 13.518 0.626 -5.352 1.00 34.12 N ATOM 572 CD2 HIS A 36 11.352 0.357 -5.380 1.00 72.35 C ATOM 573 CE1 HIS A 36 13.034 1.454 -6.260 1.00 22.10 C ATOM 574 NE2 HIS A 36 11.721 1.310 -6.297 1.00 10.05 N ATOM 0 H HIS A 36 10.924 -3.347 -2.280 1.00 64.11 H new ATOM 0 HA HIS A 36 10.806 -2.070 -4.093 1.00 55.42 H new ATOM 0 HB2 HIS A 36 12.457 -0.659 -2.739 1.00 65.51 H new ATOM 0 HB3 HIS A 36 13.740 -1.389 -3.684 1.00 65.51 H new ATOM 0 HD1 HIS A 36 14.504 0.524 -5.113 1.00 34.12 H new ATOM 0 HD2 HIS A 36 10.346 0.019 -5.177 1.00 72.35 H new ATOM 0 HE1 HIS A 36 13.613 2.133 -6.869 1.00 22.10 H new ATOM 581 N LEU A 37 11.858 -4.395 -5.214 1.00 62.30 N ATOM 582 CA LEU A 37 12.269 -5.269 -6.307 1.00 62.44 C ATOM 583 C LEU A 37 11.318 -5.141 -7.494 1.00 30.02 C ATOM 584 O LEU A 37 11.718 -5.315 -8.644 1.00 33.41 O ATOM 585 CB LEU A 37 12.317 -6.723 -5.833 1.00 2.11 C ATOM 586 CG LEU A 37 13.271 -7.019 -4.676 1.00 31.25 C ATOM 587 CD1 LEU A 37 14.376 -5.977 -4.614 1.00 74.12 C ATOM 588 CD2 LEU A 37 12.511 -7.073 -3.359 1.00 11.04 C ATOM 0 H LEU A 37 11.173 -4.806 -4.580 1.00 62.30 H new ATOM 0 HA LEU A 37 13.265 -4.964 -6.628 1.00 62.44 H new ATOM 0 HB2 LEU A 37 11.312 -7.020 -5.534 1.00 2.11 H new ATOM 0 HB3 LEU A 37 12.597 -7.351 -6.679 1.00 2.11 H new ATOM 0 HG LEU A 37 13.729 -7.993 -4.849 1.00 31.25 H new ATOM 0 HD11 LEU A 37 15.045 -6.205 -3.784 1.00 74.12 H new ATOM 0 HD12 LEU A 37 14.939 -5.988 -5.547 1.00 74.12 H new ATOM 0 HD13 LEU A 37 13.938 -4.990 -4.466 1.00 74.12 H new ATOM 0 HD21 LEU A 37 13.206 -7.285 -2.546 1.00 11.04 H new ATOM 0 HD22 LEU A 37 12.025 -6.114 -3.180 1.00 11.04 H new ATOM 0 HD23 LEU A 37 11.757 -7.859 -3.406 1.00 11.04 H new ATOM 599 N GLY A 38 10.057 -4.833 -7.204 1.00 2.32 N ATOM 600 CA GLY A 38 9.069 -4.684 -8.258 1.00 12.34 C ATOM 601 C GLY A 38 9.366 -3.509 -9.169 1.00 34.24 C ATOM 602 O GLY A 38 8.754 -3.366 -10.226 1.00 53.35 O ATOM 0 H GLY A 38 9.702 -4.684 -6.259 1.00 2.32 H new ATOM 0 HA2 GLY A 38 9.033 -5.599 -8.850 1.00 12.34 H new ATOM 0 HA3 GLY A 38 8.083 -4.554 -7.812 1.00 12.34 H new ATOM 606 N ARG A 39 10.306 -2.665 -8.756 1.00 3.00 N ATOM 607 CA ARG A 39 10.680 -1.495 -9.541 1.00 33.01 C ATOM 608 C ARG A 39 10.931 -1.874 -10.997 1.00 31.13 C ATOM 609 O ARG A 39 11.123 -3.048 -11.319 1.00 45.51 O ATOM 610 CB ARG A 39 11.929 -0.836 -8.951 1.00 64.43 C ATOM 611 CG ARG A 39 13.166 -1.717 -9.011 1.00 13.22 C ATOM 612 CD ARG A 39 14.441 -0.887 -9.008 1.00 14.11 C ATOM 613 NE ARG A 39 15.183 -1.028 -7.758 1.00 21.33 N ATOM 614 CZ ARG A 39 16.445 -0.641 -7.605 1.00 31.42 C ATOM 615 NH1 ARG A 39 17.101 -0.090 -8.617 1.00 61.55 N ATOM 616 NH2 ARG A 39 17.052 -0.803 -6.436 1.00 70.11 N ATOM 0 H ARG A 39 10.822 -2.770 -7.883 1.00 3.00 H new ATOM 0 HA ARG A 39 9.853 -0.786 -9.506 1.00 33.01 H new ATOM 0 HB2 ARG A 39 12.128 0.092 -9.487 1.00 64.43 H new ATOM 0 HB3 ARG A 39 11.733 -0.569 -7.913 1.00 64.43 H new ATOM 0 HG2 ARG A 39 13.171 -2.397 -8.159 1.00 13.22 H new ATOM 0 HG3 ARG A 39 13.133 -2.332 -9.910 1.00 13.22 H new ATOM 0 HD2 ARG A 39 15.074 -1.192 -9.842 1.00 14.11 H new ATOM 0 HD3 ARG A 39 14.191 0.162 -9.165 1.00 14.11 H new ATOM 0 HE ARG A 39 14.707 -1.446 -6.959 1.00 21.33 H new ATOM 0 HH11 ARG A 39 16.637 0.038 -9.516 1.00 61.55 H new ATOM 0 HH12 ARG A 39 18.070 0.206 -8.496 1.00 61.55 H new ATOM 0 HH21 ARG A 39 16.550 -1.225 -5.655 1.00 70.11 H new ATOM 0 HH22 ARG A 39 18.021 -0.506 -6.319 1.00 70.11 H new ATOM 627 N LEU A 40 10.929 -0.875 -11.873 1.00 33.34 N ATOM 628 CA LEU A 40 11.156 -1.103 -13.295 1.00 4.44 C ATOM 629 C LEU A 40 12.648 -1.100 -13.616 1.00 30.35 C ATOM 630 O LEU A 40 13.147 -0.197 -14.287 1.00 73.11 O ATOM 631 CB LEU A 40 10.443 -0.034 -14.124 1.00 31.05 C ATOM 632 CG LEU A 40 10.612 -0.137 -15.641 1.00 73.42 C ATOM 633 CD1 LEU A 40 9.324 -0.623 -16.289 1.00 1.33 C ATOM 634 CD2 LEU A 40 11.030 1.206 -16.223 1.00 23.52 C ATOM 0 H LEU A 40 10.773 0.101 -11.623 1.00 33.34 H new ATOM 0 HA LEU A 40 10.750 -2.082 -13.549 1.00 4.44 H new ATOM 0 HB2 LEU A 40 9.378 -0.074 -13.894 1.00 31.05 H new ATOM 0 HB3 LEU A 40 10.802 0.944 -13.804 1.00 31.05 H new ATOM 0 HG LEU A 40 11.398 -0.863 -15.852 1.00 73.42 H new ATOM 0 HD11 LEU A 40 9.462 -0.690 -17.368 1.00 1.33 H new ATOM 0 HD12 LEU A 40 9.066 -1.606 -15.894 1.00 1.33 H new ATOM 0 HD13 LEU A 40 8.519 0.078 -16.070 1.00 1.33 H new ATOM 0 HD21 LEU A 40 11.146 1.114 -17.303 1.00 23.52 H new ATOM 0 HD22 LEU A 40 10.267 1.952 -16.002 1.00 23.52 H new ATOM 0 HD23 LEU A 40 11.978 1.515 -15.782 1.00 23.52 H new ATOM 645 N ASP A 41 13.354 -2.117 -13.133 1.00 61.31 N ATOM 646 CA ASP A 41 14.788 -2.233 -13.371 1.00 62.20 C ATOM 647 C ASP A 41 15.358 -3.461 -12.666 1.00 41.24 C ATOM 648 O ASP A 41 16.492 -3.445 -12.190 1.00 1.11 O ATOM 649 CB ASP A 41 15.510 -0.974 -12.891 1.00 40.34 C ATOM 650 CG ASP A 41 16.483 -0.436 -13.921 1.00 1.14 C ATOM 651 OD1 ASP A 41 16.041 0.295 -14.831 1.00 62.22 O ATOM 652 OD2 ASP A 41 17.689 -0.748 -13.818 1.00 13.31 O ATOM 0 H ASP A 41 12.957 -2.872 -12.575 1.00 61.31 H new ATOM 0 HA ASP A 41 14.945 -2.346 -14.444 1.00 62.20 H new ATOM 0 HB2 ASP A 41 14.775 -0.205 -12.654 1.00 40.34 H new ATOM 0 HB3 ASP A 41 16.047 -1.196 -11.969 1.00 40.34 H new ATOM 656 N ASN A 42 14.562 -4.523 -12.603 1.00 43.32 N ATOM 657 CA ASN A 42 14.986 -5.759 -11.956 1.00 22.40 C ATOM 658 C ASN A 42 15.819 -6.614 -12.907 1.00 15.30 C ATOM 659 O ASN A 42 15.478 -6.765 -14.080 1.00 32.22 O ATOM 660 CB ASN A 42 13.769 -6.551 -11.474 1.00 52.01 C ATOM 661 CG ASN A 42 13.161 -7.403 -12.572 1.00 34.24 C ATOM 662 OD1 ASN A 42 13.391 -8.611 -12.634 1.00 1.12 O ATOM 663 ND2 ASN A 42 12.382 -6.775 -13.444 1.00 42.11 N ATOM 0 H ASN A 42 13.620 -4.553 -12.992 1.00 43.32 H new ATOM 0 HA ASN A 42 15.603 -5.496 -11.097 1.00 22.40 H new ATOM 0 HB2 ASN A 42 14.062 -7.191 -10.642 1.00 52.01 H new ATOM 0 HB3 ASN A 42 13.016 -5.860 -11.095 1.00 52.01 H new ATOM 0 HD21 ASN A 42 11.946 -7.295 -14.205 1.00 42.11 H new ATOM 0 HD22 ASN A 42 12.220 -5.772 -13.353 1.00 42.11 H new ATOM 669 N GLN A 43 16.911 -7.169 -12.392 1.00 33.32 N ATOM 670 CA GLN A 43 17.792 -8.009 -13.195 1.00 50.41 C ATOM 671 C GLN A 43 17.837 -9.431 -12.648 1.00 4.12 C ATOM 672 O GLN A 43 18.229 -10.364 -13.348 1.00 23.12 O ATOM 673 CB GLN A 43 19.203 -7.417 -13.229 1.00 63.01 C ATOM 674 CG GLN A 43 19.646 -6.824 -11.902 1.00 20.52 C ATOM 675 CD GLN A 43 21.066 -6.295 -11.944 1.00 4.42 C ATOM 676 OE1 GLN A 43 21.698 -6.266 -13.001 1.00 14.12 O ATOM 677 NE2 GLN A 43 21.576 -5.875 -10.792 1.00 51.31 N ATOM 0 H GLN A 43 17.207 -7.052 -11.423 1.00 33.32 H new ATOM 0 HA GLN A 43 17.395 -8.043 -14.210 1.00 50.41 H new ATOM 0 HB2 GLN A 43 19.907 -8.195 -13.523 1.00 63.01 H new ATOM 0 HB3 GLN A 43 19.245 -6.643 -13.995 1.00 63.01 H new ATOM 0 HG2 GLN A 43 18.969 -6.015 -11.626 1.00 20.52 H new ATOM 0 HG3 GLN A 43 19.568 -7.584 -11.125 1.00 20.52 H new ATOM 0 HE21 GLN A 43 21.016 -5.918 -9.941 1.00 51.31 H new ATOM 0 HE22 GLN A 43 22.528 -5.510 -10.759 1.00 51.31 H new ATOM 684 N GLY A 44 17.433 -9.590 -11.391 1.00 52.31 N ATOM 685 CA GLY A 44 17.436 -10.902 -10.771 1.00 0.22 C ATOM 686 C GLY A 44 16.350 -11.804 -11.320 1.00 64.14 C ATOM 687 O GLY A 44 16.545 -12.482 -12.329 1.00 43.25 O ATOM 0 H GLY A 44 17.104 -8.833 -10.791 1.00 52.31 H new ATOM 0 HA2 GLY A 44 18.407 -11.372 -10.926 1.00 0.22 H new ATOM 0 HA3 GLY A 44 17.303 -10.792 -9.695 1.00 0.22 H new ATOM 691 N LYS A 45 15.199 -11.817 -10.653 1.00 14.05 N ATOM 692 CA LYS A 45 14.077 -12.644 -11.078 1.00 61.14 C ATOM 693 C LYS A 45 12.877 -12.447 -10.157 1.00 41.01 C ATOM 694 O LYS A 45 11.729 -12.589 -10.579 1.00 14.11 O ATOM 695 CB LYS A 45 14.482 -14.120 -11.098 1.00 51.21 C ATOM 696 CG LYS A 45 14.854 -14.666 -9.731 1.00 1.14 C ATOM 697 CD LYS A 45 16.214 -14.161 -9.280 1.00 33.43 C ATOM 698 CE LYS A 45 16.935 -15.191 -8.423 1.00 54.32 C ATOM 699 NZ LYS A 45 17.407 -16.350 -9.229 1.00 45.12 N ATOM 0 H LYS A 45 15.020 -11.263 -9.815 1.00 14.05 H new ATOM 0 HA LYS A 45 13.794 -12.338 -12.085 1.00 61.14 H new ATOM 0 HB2 LYS A 45 13.659 -14.709 -11.504 1.00 51.21 H new ATOM 0 HB3 LYS A 45 15.328 -14.247 -11.773 1.00 51.21 H new ATOM 0 HG2 LYS A 45 14.097 -14.374 -9.003 1.00 1.14 H new ATOM 0 HG3 LYS A 45 14.862 -15.755 -9.763 1.00 1.14 H new ATOM 0 HD2 LYS A 45 16.822 -13.922 -10.152 1.00 33.43 H new ATOM 0 HD3 LYS A 45 16.091 -13.237 -8.714 1.00 33.43 H new ATOM 0 HE2 LYS A 45 17.786 -14.721 -7.929 1.00 54.32 H new ATOM 0 HE3 LYS A 45 16.266 -15.543 -7.638 1.00 54.32 H new ATOM 0 HZ1 LYS A 45 18.137 -16.867 -8.699 1.00 45.12 H new ATOM 0 HZ2 LYS A 45 16.607 -16.985 -9.426 1.00 45.12 H new ATOM 0 HZ3 LYS A 45 17.807 -16.009 -10.126 1.00 45.12 H new ATOM 709 N ILE A 46 13.150 -12.119 -8.899 1.00 4.12 N ATOM 710 CA ILE A 46 12.092 -11.900 -7.920 1.00 20.03 C ATOM 711 C ILE A 46 11.204 -10.728 -8.323 1.00 61.40 C ATOM 712 O ILE A 46 9.978 -10.832 -8.309 1.00 1.44 O ATOM 713 CB ILE A 46 12.670 -11.634 -6.517 1.00 4.12 C ATOM 714 CG1 ILE A 46 13.815 -12.605 -6.220 1.00 64.23 C ATOM 715 CG2 ILE A 46 11.579 -11.754 -5.464 1.00 23.35 C ATOM 716 CD1 ILE A 46 15.186 -11.973 -6.322 1.00 45.43 C ATOM 0 H ILE A 46 14.095 -11.999 -8.533 1.00 4.12 H new ATOM 0 HA ILE A 46 11.495 -12.811 -7.891 1.00 20.03 H new ATOM 0 HB ILE A 46 13.065 -10.618 -6.489 1.00 4.12 H new ATOM 0 HG12 ILE A 46 13.685 -13.011 -5.217 1.00 64.23 H new ATOM 0 HG13 ILE A 46 13.758 -13.444 -6.914 1.00 64.23 H new ATOM 0 HG21 ILE A 46 12.003 -11.563 -4.478 1.00 23.35 H new ATOM 0 HG22 ILE A 46 10.794 -11.026 -5.669 1.00 23.35 H new ATOM 0 HG23 ILE A 46 11.157 -12.759 -5.490 1.00 23.35 H new ATOM 0 HD11 ILE A 46 15.948 -12.719 -6.099 1.00 45.43 H new ATOM 0 HD12 ILE A 46 15.337 -11.591 -7.332 1.00 45.43 H new ATOM 0 HD13 ILE A 46 15.262 -11.152 -5.609 1.00 45.43 H new ATOM 727 N ASN A 47 11.832 -9.613 -8.683 1.00 71.41 N ATOM 728 CA ASN A 47 11.099 -8.421 -9.090 1.00 44.24 C ATOM 729 C ASN A 47 9.873 -8.206 -8.207 1.00 24.34 C ATOM 730 O ASN A 47 8.805 -7.831 -8.690 1.00 33.35 O ATOM 731 CB ASN A 47 10.670 -8.537 -10.555 1.00 15.53 C ATOM 732 CG ASN A 47 9.756 -9.721 -10.799 1.00 11.34 C ATOM 733 OD1 ASN A 47 10.199 -10.646 -11.644 1.00 54.52 O flip ATOM 734 ND2 ASN A 47 8.665 -9.805 -10.234 1.00 34.12 N flip ATOM 0 H ASN A 47 12.847 -9.511 -8.701 1.00 71.41 H new ATOM 0 HA ASN A 47 11.761 -7.563 -8.977 1.00 44.24 H new ATOM 0 HB2 ASN A 47 10.161 -7.621 -10.855 1.00 15.53 H new ATOM 0 HB3 ASN A 47 11.556 -8.630 -11.184 1.00 15.53 H new ATOM 0 HD21 ASN A 47 8.365 -9.071 -9.593 1.00 34.12 H new ATOM 0 HD22 ASN A 47 8.061 -10.609 -10.407 1.00 34.12 H new ATOM 740 N ALA A 48 10.036 -8.449 -6.911 1.00 61.10 N ATOM 741 CA ALA A 48 8.944 -8.280 -5.959 1.00 43.20 C ATOM 742 C ALA A 48 9.371 -8.697 -4.555 1.00 63.02 C ATOM 743 O ALA A 48 10.230 -9.564 -4.389 1.00 61.42 O ATOM 744 CB ALA A 48 7.729 -9.080 -6.403 1.00 64.12 C ATOM 0 H ALA A 48 10.913 -8.763 -6.496 1.00 61.10 H new ATOM 0 HA ALA A 48 8.679 -7.223 -5.931 1.00 43.20 H new ATOM 0 HB1 ALA A 48 6.922 -8.945 -5.683 1.00 64.12 H new ATOM 0 HB2 ALA A 48 7.403 -8.733 -7.384 1.00 64.12 H new ATOM 0 HB3 ALA A 48 7.990 -10.137 -6.461 1.00 64.12 H new ATOM 750 N TRP A 49 8.765 -8.076 -3.551 1.00 34.45 N ATOM 751 CA TRP A 49 9.084 -8.383 -2.159 1.00 42.43 C ATOM 752 C TRP A 49 8.139 -9.444 -1.606 1.00 50.44 C ATOM 753 O TRP A 49 6.918 -9.317 -1.708 1.00 51.33 O ATOM 754 CB TRP A 49 9.005 -7.117 -1.305 1.00 63.13 C ATOM 755 CG TRP A 49 9.079 -7.387 0.167 1.00 63.43 C ATOM 756 CD1 TRP A 49 8.029 -7.605 1.014 1.00 22.12 C ATOM 757 CD2 TRP A 49 10.264 -7.468 0.965 1.00 43.21 C ATOM 758 NE1 TRP A 49 8.492 -7.816 2.290 1.00 65.21 N ATOM 759 CE2 TRP A 49 9.859 -7.738 2.287 1.00 1.12 C ATOM 760 CE3 TRP A 49 11.629 -7.340 0.691 1.00 21.42 C ATOM 761 CZ2 TRP A 49 10.771 -7.880 3.329 1.00 35.00 C ATOM 762 CZ3 TRP A 49 12.532 -7.481 1.727 1.00 33.12 C ATOM 763 CH2 TRP A 49 12.101 -7.750 3.034 1.00 41.45 C ATOM 0 H TRP A 49 8.051 -7.358 -3.672 1.00 34.45 H new ATOM 0 HA TRP A 49 10.101 -8.774 -2.123 1.00 42.43 H new ATOM 0 HB2 TRP A 49 9.818 -6.447 -1.585 1.00 63.13 H new ATOM 0 HB3 TRP A 49 8.073 -6.597 -1.525 1.00 63.13 H new ATOM 0 HD1 TRP A 49 6.989 -7.611 0.723 1.00 22.12 H new ATOM 0 HE1 TRP A 49 7.911 -8.001 3.108 1.00 65.21 H new ATOM 0 HE3 TRP A 49 11.971 -7.135 -0.312 1.00 21.42 H new ATOM 0 HZ2 TRP A 49 10.440 -8.086 4.336 1.00 35.00 H new ATOM 0 HZ3 TRP A 49 13.589 -7.382 1.527 1.00 33.12 H new ATOM 0 HH2 TRP A 49 12.832 -7.857 3.822 1.00 41.45 H new ATOM 773 N THR A 50 8.710 -10.492 -1.021 1.00 40.15 N ATOM 774 CA THR A 50 7.919 -11.576 -0.453 1.00 70.13 C ATOM 775 C THR A 50 7.803 -11.437 1.061 1.00 50.03 C ATOM 776 O THR A 50 8.581 -10.720 1.690 1.00 4.32 O ATOM 777 CB THR A 50 8.527 -12.951 -0.786 1.00 4.41 C ATOM 778 OG1 THR A 50 9.353 -12.851 -1.951 1.00 14.25 O ATOM 779 CG2 THR A 50 7.435 -13.984 -1.020 1.00 51.32 C ATOM 0 H THR A 50 9.719 -10.613 -0.928 1.00 40.15 H new ATOM 0 HA THR A 50 6.927 -11.509 -0.899 1.00 70.13 H new ATOM 0 HB THR A 50 9.132 -13.271 0.062 1.00 4.41 H new ATOM 0 HG1 THR A 50 10.248 -13.193 -1.747 1.00 14.25 H new ATOM 0 HG21 THR A 50 7.889 -14.947 -1.254 1.00 51.32 H new ATOM 0 HG22 THR A 50 6.825 -14.079 -0.122 1.00 51.32 H new ATOM 0 HG23 THR A 50 6.807 -13.667 -1.853 1.00 51.32 H new ATOM 787 N ALA A 51 6.827 -12.127 1.641 1.00 62.53 N ATOM 788 CA ALA A 51 6.612 -12.083 3.082 1.00 43.41 C ATOM 789 C ALA A 51 7.418 -13.166 3.791 1.00 40.42 C ATOM 790 O ALA A 51 7.837 -14.144 3.173 1.00 13.32 O ATOM 791 CB ALA A 51 5.131 -12.232 3.399 1.00 52.25 C ATOM 0 H ALA A 51 6.172 -12.723 1.135 1.00 62.53 H new ATOM 0 HA ALA A 51 6.955 -11.115 3.446 1.00 43.41 H new ATOM 0 HB1 ALA A 51 4.985 -12.197 4.479 1.00 52.25 H new ATOM 0 HB2 ALA A 51 4.575 -11.419 2.931 1.00 52.25 H new ATOM 0 HB3 ALA A 51 4.771 -13.186 3.014 1.00 52.25 H new ATOM 797 N GLN A 52 7.630 -12.984 5.090 1.00 32.32 N ATOM 798 CA GLN A 52 8.388 -13.946 5.882 1.00 63.10 C ATOM 799 C GLN A 52 7.474 -15.032 6.440 1.00 72.23 C ATOM 800 O GLN A 52 7.680 -16.219 6.190 1.00 34.12 O ATOM 801 CB GLN A 52 9.115 -13.236 7.026 1.00 25.53 C ATOM 802 CG GLN A 52 9.964 -14.168 7.876 1.00 74.12 C ATOM 803 CD GLN A 52 9.487 -14.242 9.314 1.00 10.10 C ATOM 804 OE1 GLN A 52 9.441 -13.233 10.018 1.00 42.11 O ATOM 805 NE2 GLN A 52 9.128 -15.441 9.757 1.00 31.54 N ATOM 0 H GLN A 52 7.288 -12.180 5.616 1.00 32.32 H new ATOM 0 HA GLN A 52 9.124 -14.416 5.230 1.00 63.10 H new ATOM 0 HB2 GLN A 52 9.752 -12.454 6.612 1.00 25.53 H new ATOM 0 HB3 GLN A 52 8.380 -12.744 7.663 1.00 25.53 H new ATOM 0 HG2 GLN A 52 9.948 -15.167 7.440 1.00 74.12 H new ATOM 0 HG3 GLN A 52 11.000 -13.828 7.858 1.00 74.12 H new ATOM 0 HE21 GLN A 52 9.182 -16.250 9.139 1.00 31.54 H new ATOM 0 HE22 GLN A 52 8.798 -15.553 10.716 1.00 31.54 H new ATOM 812 N SER A 53 6.464 -14.616 7.197 1.00 51.05 N ATOM 813 CA SER A 53 5.520 -15.554 7.794 1.00 72.52 C ATOM 814 C SER A 53 4.406 -15.903 6.812 1.00 31.00 C ATOM 815 O SER A 53 3.469 -16.625 7.150 1.00 74.11 O ATOM 816 CB SER A 53 4.921 -14.963 9.073 1.00 4.34 C ATOM 817 OG SER A 53 5.533 -13.726 9.397 1.00 63.34 O ATOM 0 H SER A 53 6.278 -13.636 7.412 1.00 51.05 H new ATOM 0 HA SER A 53 6.061 -16.467 8.042 1.00 72.52 H new ATOM 0 HB2 SER A 53 3.848 -14.819 8.943 1.00 4.34 H new ATOM 0 HB3 SER A 53 5.051 -15.664 9.897 1.00 4.34 H new ATOM 0 HG SER A 53 5.134 -13.012 8.857 1.00 63.34 H new ATOM 822 N ASN A 54 4.516 -15.386 5.592 1.00 14.14 N ATOM 823 CA ASN A 54 3.519 -15.641 4.559 1.00 33.43 C ATOM 824 C ASN A 54 2.108 -15.568 5.137 1.00 4.35 C ATOM 825 O ASN A 54 1.234 -16.351 4.764 1.00 71.31 O ATOM 826 CB ASN A 54 3.753 -17.014 3.926 1.00 50.54 C ATOM 827 CG ASN A 54 3.521 -18.150 4.903 1.00 13.15 C ATOM 828 OD1 ASN A 54 4.585 -18.576 5.576 1.00 62.43 O flip ATOM 829 ND2 ASN A 54 2.402 -18.638 5.051 1.00 62.43 N flip ATOM 0 H ASN A 54 5.287 -14.787 5.295 1.00 14.14 H new ATOM 0 HA ASN A 54 3.619 -14.873 3.792 1.00 33.43 H new ATOM 0 HB2 ASN A 54 3.089 -17.134 3.070 1.00 50.54 H new ATOM 0 HB3 ASN A 54 4.774 -17.067 3.548 1.00 50.54 H new ATOM 0 HD21 ASN A 54 1.614 -18.279 4.513 1.00 62.43 H new ATOM 0 HD22 ASN A 54 2.262 -19.402 5.712 1.00 62.43 H new ATOM 835 N SER A 55 1.895 -14.624 6.046 1.00 51.14 N ATOM 836 CA SER A 55 0.592 -14.450 6.677 1.00 70.13 C ATOM 837 C SER A 55 0.141 -12.994 6.600 1.00 64.42 C ATOM 838 O SER A 55 0.870 -12.132 6.112 1.00 32.33 O ATOM 839 CB SER A 55 0.643 -14.903 8.137 1.00 25.14 C ATOM 840 OG SER A 55 -0.595 -15.461 8.542 1.00 4.31 O ATOM 0 H SER A 55 2.608 -13.967 6.363 1.00 51.14 H new ATOM 0 HA SER A 55 -0.129 -15.065 6.139 1.00 70.13 H new ATOM 0 HB2 SER A 55 1.436 -15.639 8.265 1.00 25.14 H new ATOM 0 HB3 SER A 55 0.889 -14.055 8.776 1.00 25.14 H new ATOM 0 HG SER A 55 -0.535 -15.744 9.478 1.00 4.31 H new ATOM 845 N ALA A 56 -1.068 -12.731 7.086 1.00 52.15 N ATOM 846 CA ALA A 56 -1.617 -11.379 7.076 1.00 5.15 C ATOM 847 C ALA A 56 -0.947 -10.507 8.131 1.00 71.41 C ATOM 848 O ALA A 56 -1.060 -9.281 8.101 1.00 13.45 O ATOM 849 CB ALA A 56 -3.122 -11.420 7.297 1.00 22.02 C ATOM 0 H ALA A 56 -1.685 -13.435 7.491 1.00 52.15 H new ATOM 0 HA ALA A 56 -1.417 -10.938 6.099 1.00 5.15 H new ATOM 0 HB1 ALA A 56 -3.519 -10.405 7.287 1.00 22.02 H new ATOM 0 HB2 ALA A 56 -3.591 -12.001 6.502 1.00 22.02 H new ATOM 0 HB3 ALA A 56 -3.336 -11.884 8.260 1.00 22.02 H new ATOM 855 N LYS A 57 -0.252 -11.145 9.066 1.00 10.03 N ATOM 856 CA LYS A 57 0.436 -10.427 10.133 1.00 25.22 C ATOM 857 C LYS A 57 1.583 -9.591 9.573 1.00 60.51 C ATOM 858 O LYS A 57 2.122 -8.724 10.259 1.00 61.24 O ATOM 859 CB LYS A 57 0.970 -11.412 11.176 1.00 65.40 C ATOM 860 CG LYS A 57 -0.102 -12.307 11.772 1.00 24.13 C ATOM 861 CD LYS A 57 0.331 -13.764 11.782 1.00 64.22 C ATOM 862 CE LYS A 57 0.920 -14.161 13.126 1.00 73.40 C ATOM 863 NZ LYS A 57 1.099 -15.635 13.241 1.00 31.13 N ATOM 0 H LYS A 57 -0.150 -12.159 9.107 1.00 10.03 H new ATOM 0 HA LYS A 57 -0.281 -9.757 10.608 1.00 25.22 H new ATOM 0 HB2 LYS A 57 1.737 -12.035 10.716 1.00 65.40 H new ATOM 0 HB3 LYS A 57 1.452 -10.853 11.978 1.00 65.40 H new ATOM 0 HG2 LYS A 57 -0.322 -11.985 12.790 1.00 24.13 H new ATOM 0 HG3 LYS A 57 -1.023 -12.204 11.199 1.00 24.13 H new ATOM 0 HD2 LYS A 57 -0.525 -14.400 11.556 1.00 64.22 H new ATOM 0 HD3 LYS A 57 1.068 -13.931 10.997 1.00 64.22 H new ATOM 0 HE2 LYS A 57 1.882 -13.667 13.261 1.00 73.40 H new ATOM 0 HE3 LYS A 57 0.267 -13.811 13.926 1.00 73.40 H new ATOM 0 HZ1 LYS A 57 1.503 -15.864 14.172 1.00 31.13 H new ATOM 0 HZ2 LYS A 57 0.177 -16.106 13.138 1.00 31.13 H new ATOM 0 HZ3 LYS A 57 1.742 -15.966 12.494 1.00 31.13 H new ATOM 873 N GLU A 58 1.950 -9.859 8.324 1.00 43.04 N ATOM 874 CA GLU A 58 3.033 -9.130 7.674 1.00 41.14 C ATOM 875 C GLU A 58 2.556 -7.761 7.195 1.00 71.33 C ATOM 876 O GLU A 58 1.389 -7.586 6.845 1.00 0.02 O ATOM 877 CB GLU A 58 3.581 -9.933 6.493 1.00 32.15 C ATOM 878 CG GLU A 58 2.696 -9.881 5.259 1.00 50.31 C ATOM 879 CD GLU A 58 3.181 -8.872 4.235 1.00 32.02 C ATOM 880 OE1 GLU A 58 2.865 -7.673 4.387 1.00 62.43 O ATOM 881 OE2 GLU A 58 3.878 -9.281 3.283 1.00 64.22 O ATOM 0 H GLU A 58 1.514 -10.575 7.742 1.00 43.04 H new ATOM 0 HA GLU A 58 3.828 -8.984 8.405 1.00 41.14 H new ATOM 0 HB2 GLU A 58 4.571 -9.556 6.236 1.00 32.15 H new ATOM 0 HB3 GLU A 58 3.705 -10.972 6.797 1.00 32.15 H new ATOM 0 HG2 GLU A 58 2.660 -10.869 4.801 1.00 50.31 H new ATOM 0 HG3 GLU A 58 1.678 -9.630 5.557 1.00 50.31 H new ATOM 886 N TRP A 59 3.467 -6.794 7.184 1.00 25.45 N ATOM 887 CA TRP A 59 3.140 -5.441 6.750 1.00 22.01 C ATOM 888 C TRP A 59 4.348 -4.771 6.106 1.00 54.24 C ATOM 889 O TRP A 59 5.487 -4.991 6.519 1.00 3.32 O ATOM 890 CB TRP A 59 2.649 -4.608 7.935 1.00 51.51 C ATOM 891 CG TRP A 59 3.529 -4.717 9.143 1.00 53.44 C ATOM 892 CD1 TRP A 59 4.819 -4.282 9.259 1.00 5.52 C ATOM 893 CD2 TRP A 59 3.185 -5.299 10.404 1.00 73.12 C ATOM 894 NE1 TRP A 59 5.297 -4.559 10.517 1.00 45.30 N ATOM 895 CE2 TRP A 59 4.314 -5.182 11.240 1.00 43.14 C ATOM 896 CE3 TRP A 59 2.032 -5.905 10.911 1.00 31.33 C ATOM 897 CZ2 TRP A 59 4.321 -5.651 12.550 1.00 74.44 C ATOM 898 CZ3 TRP A 59 2.041 -6.370 12.213 1.00 3.21 C ATOM 899 CH2 TRP A 59 3.178 -6.241 13.020 1.00 13.44 C ATOM 0 H TRP A 59 4.437 -6.922 7.471 1.00 25.45 H new ATOM 0 HA TRP A 59 2.345 -5.505 6.007 1.00 22.01 H new ATOM 0 HB2 TRP A 59 2.586 -3.562 7.634 1.00 51.51 H new ATOM 0 HB3 TRP A 59 1.640 -4.925 8.199 1.00 51.51 H new ATOM 0 HD1 TRP A 59 5.380 -3.792 8.477 1.00 5.52 H new ATOM 0 HE1 TRP A 59 6.232 -4.337 10.858 1.00 45.30 H new ATOM 0 HE3 TRP A 59 1.150 -6.008 10.297 1.00 31.33 H new ATOM 0 HZ2 TRP A 59 5.197 -5.553 13.174 1.00 74.44 H new ATOM 0 HZ3 TRP A 59 1.156 -6.841 12.615 1.00 3.21 H new ATOM 0 HH2 TRP A 59 3.153 -6.614 14.033 1.00 13.44 H new ATOM 909 N LEU A 60 4.093 -3.950 5.092 1.00 62.03 N ATOM 910 CA LEU A 60 5.161 -3.246 4.391 1.00 14.10 C ATOM 911 C LEU A 60 5.029 -1.737 4.573 1.00 72.41 C ATOM 912 O LEU A 60 3.966 -1.164 4.335 1.00 2.13 O ATOM 913 CB LEU A 60 5.137 -3.595 2.901 1.00 75.54 C ATOM 914 CG LEU A 60 6.049 -2.762 2.002 1.00 11.51 C ATOM 915 CD1 LEU A 60 7.143 -3.630 1.400 1.00 3.40 C ATOM 916 CD2 LEU A 60 5.242 -2.082 0.906 1.00 74.31 C ATOM 0 H LEU A 60 3.156 -3.756 4.738 1.00 62.03 H new ATOM 0 HA LEU A 60 6.113 -3.564 4.817 1.00 14.10 H new ATOM 0 HB2 LEU A 60 5.411 -4.644 2.790 1.00 75.54 H new ATOM 0 HB3 LEU A 60 4.113 -3.493 2.541 1.00 75.54 H new ATOM 0 HG LEU A 60 6.520 -1.990 2.611 1.00 11.51 H new ATOM 0 HD11 LEU A 60 7.783 -3.019 0.763 1.00 3.40 H new ATOM 0 HD12 LEU A 60 7.740 -4.069 2.199 1.00 3.40 H new ATOM 0 HD13 LEU A 60 6.691 -4.425 0.806 1.00 3.40 H new ATOM 0 HD21 LEU A 60 5.908 -1.493 0.276 1.00 74.31 H new ATOM 0 HD22 LEU A 60 4.743 -2.838 0.300 1.00 74.31 H new ATOM 0 HD23 LEU A 60 4.496 -1.427 1.356 1.00 74.31 H new ATOM 927 N GLN A 61 6.116 -1.100 4.995 1.00 0.25 N ATOM 928 CA GLN A 61 6.123 0.342 5.208 1.00 61.15 C ATOM 929 C GLN A 61 7.187 1.015 4.348 1.00 61.41 C ATOM 930 O GLN A 61 8.270 0.467 4.140 1.00 32.45 O ATOM 931 CB GLN A 61 6.366 0.661 6.684 1.00 3.31 C ATOM 932 CG GLN A 61 7.683 0.117 7.214 1.00 14.20 C ATOM 933 CD GLN A 61 7.538 -1.256 7.840 1.00 10.33 C ATOM 934 OE1 GLN A 61 6.471 -1.867 7.783 1.00 11.21 O ATOM 935 NE2 GLN A 61 8.615 -1.749 8.442 1.00 14.10 N ATOM 0 H GLN A 61 7.004 -1.560 5.196 1.00 0.25 H new ATOM 0 HA GLN A 61 5.147 0.731 4.916 1.00 61.15 H new ATOM 0 HB2 GLN A 61 6.347 1.742 6.822 1.00 3.31 H new ATOM 0 HB3 GLN A 61 5.548 0.250 7.276 1.00 3.31 H new ATOM 0 HG2 GLN A 61 8.405 0.066 6.399 1.00 14.20 H new ATOM 0 HG3 GLN A 61 8.086 0.809 7.954 1.00 14.20 H new ATOM 0 HE21 GLN A 61 9.479 -1.207 8.465 1.00 14.10 H new ATOM 0 HE22 GLN A 61 8.578 -2.669 8.881 1.00 14.10 H new ATOM 942 N VAL A 62 6.872 2.207 3.849 1.00 25.23 N ATOM 943 CA VAL A 62 7.802 2.954 3.012 1.00 54.25 C ATOM 944 C VAL A 62 7.999 4.371 3.539 1.00 42.01 C ATOM 945 O VAL A 62 7.046 5.144 3.643 1.00 3.15 O ATOM 946 CB VAL A 62 7.312 3.025 1.553 1.00 33.31 C ATOM 947 CG1 VAL A 62 8.405 3.573 0.648 1.00 74.02 C ATOM 948 CG2 VAL A 62 6.854 1.654 1.079 1.00 42.31 C ATOM 0 H VAL A 62 5.980 2.675 4.010 1.00 25.23 H new ATOM 0 HA VAL A 62 8.753 2.422 3.043 1.00 54.25 H new ATOM 0 HB VAL A 62 6.461 3.704 1.506 1.00 33.31 H new ATOM 0 HG11 VAL A 62 8.040 3.616 -0.378 1.00 74.02 H new ATOM 0 HG12 VAL A 62 8.681 4.575 0.977 1.00 74.02 H new ATOM 0 HG13 VAL A 62 9.278 2.922 0.696 1.00 74.02 H new ATOM 0 HG21 VAL A 62 6.511 1.722 0.047 1.00 42.31 H new ATOM 0 HG22 VAL A 62 7.685 0.952 1.140 1.00 42.31 H new ATOM 0 HG23 VAL A 62 6.037 1.305 1.711 1.00 42.31 H new ATOM 958 N ASP A 63 9.241 4.705 3.871 1.00 51.41 N ATOM 959 CA ASP A 63 9.564 6.031 4.387 1.00 11.24 C ATOM 960 C ASP A 63 10.553 6.744 3.470 1.00 55.14 C ATOM 961 O ASP A 63 11.607 6.204 3.134 1.00 32.24 O ATOM 962 CB ASP A 63 10.144 5.924 5.799 1.00 41.54 C ATOM 963 CG ASP A 63 9.401 4.919 6.655 1.00 24.21 C ATOM 964 OD1 ASP A 63 9.608 3.703 6.458 1.00 2.34 O ATOM 965 OD2 ASP A 63 8.613 5.347 7.524 1.00 21.31 O ATOM 0 H ASP A 63 10.041 4.077 3.792 1.00 51.41 H new ATOM 0 HA ASP A 63 8.644 6.615 4.424 1.00 11.24 H new ATOM 0 HB2 ASP A 63 11.194 5.638 5.737 1.00 41.54 H new ATOM 0 HB3 ASP A 63 10.108 6.902 6.278 1.00 41.54 H new ATOM 969 N LEU A 64 10.205 7.962 3.068 1.00 4.43 N ATOM 970 CA LEU A 64 11.061 8.750 2.188 1.00 72.12 C ATOM 971 C LEU A 64 11.516 10.032 2.877 1.00 14.33 C ATOM 972 O LEU A 64 12.569 10.582 2.556 1.00 33.44 O ATOM 973 CB LEU A 64 10.321 9.089 0.893 1.00 41.21 C ATOM 974 CG LEU A 64 8.794 9.053 0.963 1.00 71.42 C ATOM 975 CD1 LEU A 64 8.190 10.010 -0.052 1.00 51.41 C ATOM 976 CD2 LEU A 64 8.283 7.638 0.735 1.00 2.21 C ATOM 0 H LEU A 64 9.337 8.425 3.337 1.00 4.43 H new ATOM 0 HA LEU A 64 11.942 8.154 1.950 1.00 72.12 H new ATOM 0 HB2 LEU A 64 10.627 10.085 0.574 1.00 41.21 H new ATOM 0 HB3 LEU A 64 10.646 8.393 0.120 1.00 41.21 H new ATOM 0 HG LEU A 64 8.488 9.372 1.959 1.00 71.42 H new ATOM 0 HD11 LEU A 64 7.103 9.970 0.013 1.00 51.41 H new ATOM 0 HD12 LEU A 64 8.529 11.024 0.158 1.00 51.41 H new ATOM 0 HD13 LEU A 64 8.504 9.722 -1.055 1.00 51.41 H new ATOM 0 HD21 LEU A 64 7.194 7.631 0.788 1.00 2.21 H new ATOM 0 HD22 LEU A 64 8.600 7.291 -0.248 1.00 2.21 H new ATOM 0 HD23 LEU A 64 8.688 6.977 1.501 1.00 2.21 H new ATOM 987 N GLY A 65 10.715 10.504 3.828 1.00 1.02 N ATOM 988 CA GLY A 65 11.053 11.716 4.550 1.00 11.53 C ATOM 989 C GLY A 65 11.370 12.874 3.623 1.00 25.44 C ATOM 990 O GLY A 65 12.116 13.784 3.985 1.00 10.20 O ATOM 0 H GLY A 65 9.837 10.068 4.111 1.00 1.02 H new ATOM 0 HA2 GLY A 65 10.222 11.992 5.200 1.00 11.53 H new ATOM 0 HA3 GLY A 65 11.911 11.524 5.194 1.00 11.53 H new ATOM 994 N THR A 66 10.803 12.839 2.420 1.00 34.44 N ATOM 995 CA THR A 66 11.032 13.890 1.438 1.00 62.14 C ATOM 996 C THR A 66 9.799 14.774 1.281 1.00 34.51 C ATOM 997 O THR A 66 9.841 15.797 0.600 1.00 13.32 O ATOM 998 CB THR A 66 11.406 13.303 0.064 1.00 14.43 C ATOM 999 OG1 THR A 66 11.763 14.357 -0.839 1.00 32.44 O ATOM 1000 CG2 THR A 66 10.250 12.502 -0.516 1.00 50.52 C ATOM 0 H THR A 66 10.182 12.094 2.104 1.00 34.44 H new ATOM 0 HA THR A 66 11.863 14.491 1.807 1.00 62.14 H new ATOM 0 HB THR A 66 12.258 12.636 0.199 1.00 14.43 H new ATOM 0 HG1 THR A 66 11.341 15.193 -0.549 1.00 32.44 H new ATOM 0 HG21 THR A 66 10.538 12.098 -1.486 1.00 50.52 H new ATOM 0 HG22 THR A 66 10.000 11.683 0.159 1.00 50.52 H new ATOM 0 HG23 THR A 66 9.382 13.151 -0.636 1.00 50.52 H new ATOM 1008 N GLN A 67 8.703 14.371 1.917 1.00 11.23 N ATOM 1009 CA GLN A 67 7.459 15.128 1.847 1.00 25.41 C ATOM 1010 C GLN A 67 7.089 15.434 0.400 1.00 12.22 C ATOM 1011 O GLN A 67 7.193 16.576 -0.049 1.00 23.52 O ATOM 1012 CB GLN A 67 7.583 16.428 2.642 1.00 11.01 C ATOM 1013 CG GLN A 67 6.257 16.942 3.178 1.00 52.53 C ATOM 1014 CD GLN A 67 6.397 17.623 4.526 1.00 11.32 C ATOM 1015 OE1 GLN A 67 7.455 18.161 4.855 1.00 74.21 O ATOM 1016 NE2 GLN A 67 5.328 17.604 5.313 1.00 30.14 N ATOM 0 H GLN A 67 8.652 13.526 2.486 1.00 11.23 H new ATOM 0 HA GLN A 67 6.667 14.519 2.283 1.00 25.41 H new ATOM 0 HB2 GLN A 67 8.266 16.270 3.477 1.00 11.01 H new ATOM 0 HB3 GLN A 67 8.029 17.192 2.005 1.00 11.01 H new ATOM 0 HG2 GLN A 67 5.828 17.644 2.463 1.00 52.53 H new ATOM 0 HG3 GLN A 67 5.558 16.110 3.266 1.00 52.53 H new ATOM 0 HE21 GLN A 67 4.472 17.147 4.999 1.00 30.14 H new ATOM 0 HE22 GLN A 67 5.363 18.047 6.231 1.00 30.14 H new ATOM 1023 N ARG A 68 6.656 14.408 -0.325 1.00 40.55 N ATOM 1024 CA ARG A 68 6.272 14.569 -1.723 1.00 25.22 C ATOM 1025 C ARG A 68 4.773 14.345 -1.903 1.00 4.42 C ATOM 1026 O ARG A 68 4.154 13.592 -1.153 1.00 25.44 O ATOM 1027 CB ARG A 68 7.054 13.593 -2.604 1.00 22.10 C ATOM 1028 CG ARG A 68 8.338 14.177 -3.169 1.00 13.52 C ATOM 1029 CD ARG A 68 8.052 15.306 -4.149 1.00 23.42 C ATOM 1030 NE ARG A 68 9.049 16.370 -4.063 1.00 63.21 N ATOM 1031 CZ ARG A 68 8.860 17.594 -4.544 1.00 24.43 C ATOM 1032 NH1 ARG A 68 7.718 17.906 -5.142 1.00 63.31 N ATOM 1033 NH2 ARG A 68 9.814 18.508 -4.428 1.00 54.11 N ATOM 0 H ARG A 68 6.562 13.457 0.032 1.00 40.55 H new ATOM 0 HA ARG A 68 6.509 15.589 -2.025 1.00 25.22 H new ATOM 0 HB2 ARG A 68 7.295 12.704 -2.021 1.00 22.10 H new ATOM 0 HB3 ARG A 68 6.418 13.271 -3.428 1.00 22.10 H new ATOM 0 HG2 ARG A 68 8.959 14.549 -2.354 1.00 13.52 H new ATOM 0 HG3 ARG A 68 8.906 13.393 -3.670 1.00 13.52 H new ATOM 0 HD2 ARG A 68 8.032 14.909 -5.164 1.00 23.42 H new ATOM 0 HD3 ARG A 68 7.063 15.718 -3.949 1.00 23.42 H new ATOM 0 HE ARG A 68 9.938 16.162 -3.609 1.00 63.21 H new ATOM 0 HH11 ARG A 68 6.982 17.206 -5.233 1.00 63.31 H new ATOM 0 HH12 ARG A 68 7.576 18.846 -5.510 1.00 63.31 H new ATOM 0 HH21 ARG A 68 10.694 18.272 -3.969 1.00 54.11 H new ATOM 0 HH22 ARG A 68 9.668 19.447 -4.798 1.00 54.11 H new ATOM 1044 N GLN A 69 4.199 15.005 -2.903 1.00 73.34 N ATOM 1045 CA GLN A 69 2.772 14.880 -3.181 1.00 2.55 C ATOM 1046 C GLN A 69 2.503 13.713 -4.125 1.00 64.31 C ATOM 1047 O GLN A 69 2.958 13.708 -5.270 1.00 75.44 O ATOM 1048 CB GLN A 69 2.233 16.176 -3.786 1.00 50.13 C ATOM 1049 CG GLN A 69 0.887 16.013 -4.474 1.00 73.22 C ATOM 1050 CD GLN A 69 0.133 17.322 -4.600 1.00 35.41 C ATOM 1051 OE1 GLN A 69 0.658 18.307 -5.120 1.00 42.43 O ATOM 1052 NE2 GLN A 69 -1.106 17.341 -4.120 1.00 13.53 N ATOM 0 H GLN A 69 4.699 15.631 -3.534 1.00 73.34 H new ATOM 0 HA GLN A 69 2.259 14.688 -2.239 1.00 2.55 H new ATOM 0 HB2 GLN A 69 2.141 16.924 -2.998 1.00 50.13 H new ATOM 0 HB3 GLN A 69 2.956 16.559 -4.506 1.00 50.13 H new ATOM 0 HG2 GLN A 69 1.040 15.589 -5.467 1.00 73.22 H new ATOM 0 HG3 GLN A 69 0.281 15.301 -3.913 1.00 73.22 H new ATOM 0 HE21 GLN A 69 -1.502 16.502 -3.697 1.00 13.53 H new ATOM 0 HE22 GLN A 69 -1.661 18.195 -4.175 1.00 13.53 H new ATOM 1059 N VAL A 70 1.760 12.723 -3.638 1.00 43.42 N ATOM 1060 CA VAL A 70 1.430 11.551 -4.439 1.00 44.25 C ATOM 1061 C VAL A 70 0.223 11.818 -5.332 1.00 44.12 C ATOM 1062 O VAL A 70 -0.685 12.563 -4.962 1.00 43.33 O ATOM 1063 CB VAL A 70 1.135 10.328 -3.550 1.00 54.31 C ATOM 1064 CG1 VAL A 70 2.320 10.031 -2.643 1.00 41.13 C ATOM 1065 CG2 VAL A 70 -0.128 10.555 -2.735 1.00 30.21 C ATOM 0 H VAL A 70 1.376 12.710 -2.693 1.00 43.42 H new ATOM 0 HA VAL A 70 2.299 11.338 -5.061 1.00 44.25 H new ATOM 0 HB VAL A 70 0.974 9.462 -4.192 1.00 54.31 H new ATOM 0 HG11 VAL A 70 2.094 9.164 -2.022 1.00 41.13 H new ATOM 0 HG12 VAL A 70 3.200 9.823 -3.251 1.00 41.13 H new ATOM 0 HG13 VAL A 70 2.515 10.893 -2.005 1.00 41.13 H new ATOM 0 HG21 VAL A 70 -0.321 9.681 -2.113 1.00 30.21 H new ATOM 0 HG22 VAL A 70 0.001 11.431 -2.100 1.00 30.21 H new ATOM 0 HG23 VAL A 70 -0.971 10.715 -3.407 1.00 30.21 H new ATOM 1075 N THR A 71 0.219 11.204 -6.512 1.00 42.22 N ATOM 1076 CA THR A 71 -0.876 11.376 -7.459 1.00 13.35 C ATOM 1077 C THR A 71 -1.191 10.068 -8.177 1.00 54.10 C ATOM 1078 O THR A 71 -1.644 10.071 -9.321 1.00 64.33 O ATOM 1079 CB THR A 71 -0.549 12.457 -8.506 1.00 11.54 C ATOM 1080 OG1 THR A 71 0.136 13.550 -7.883 1.00 4.41 O ATOM 1081 CG2 THR A 71 -1.816 12.963 -9.176 1.00 45.23 C ATOM 0 H THR A 71 0.962 10.584 -6.834 1.00 42.22 H new ATOM 0 HA THR A 71 -1.746 11.691 -6.883 1.00 13.35 H new ATOM 0 HB THR A 71 0.092 12.012 -9.267 1.00 11.54 H new ATOM 0 HG1 THR A 71 -0.296 14.393 -8.135 1.00 4.41 H new ATOM 0 HG21 THR A 71 -1.559 13.726 -9.911 1.00 45.23 H new ATOM 0 HG22 THR A 71 -2.320 12.135 -9.673 1.00 45.23 H new ATOM 0 HG23 THR A 71 -2.479 13.392 -8.424 1.00 45.23 H new ATOM 1089 N GLY A 72 -0.948 8.952 -7.498 1.00 21.34 N ATOM 1090 CA GLY A 72 -1.213 7.652 -8.087 1.00 31.23 C ATOM 1091 C GLY A 72 -0.498 6.530 -7.362 1.00 21.32 C ATOM 1092 O GLY A 72 0.380 6.776 -6.534 1.00 40.44 O ATOM 0 H GLY A 72 -0.572 8.924 -6.550 1.00 21.34 H new ATOM 0 HA2 GLY A 72 -2.286 7.463 -8.074 1.00 31.23 H new ATOM 0 HA3 GLY A 72 -0.903 7.660 -9.132 1.00 31.23 H new ATOM 1096 N ILE A 73 -0.875 5.294 -7.670 1.00 62.01 N ATOM 1097 CA ILE A 73 -0.264 4.130 -7.040 1.00 60.11 C ATOM 1098 C ILE A 73 -0.366 2.902 -7.939 1.00 74.21 C ATOM 1099 O ILE A 73 -1.320 2.758 -8.704 1.00 10.30 O ATOM 1100 CB ILE A 73 -0.921 3.815 -5.683 1.00 22.45 C ATOM 1101 CG1 ILE A 73 -2.443 3.920 -5.791 1.00 51.35 C ATOM 1102 CG2 ILE A 73 -0.394 4.754 -4.608 1.00 4.21 C ATOM 1103 CD1 ILE A 73 -3.178 2.781 -5.120 1.00 42.23 C ATOM 0 H ILE A 73 -1.601 5.073 -8.352 1.00 62.01 H new ATOM 0 HA ILE A 73 0.786 4.373 -6.878 1.00 60.11 H new ATOM 0 HB ILE A 73 -0.666 2.793 -5.402 1.00 22.45 H new ATOM 0 HG12 ILE A 73 -2.766 4.862 -5.347 1.00 51.35 H new ATOM 0 HG13 ILE A 73 -2.723 3.952 -6.844 1.00 51.35 H new ATOM 0 HG21 ILE A 73 -0.868 4.519 -3.655 1.00 4.21 H new ATOM 0 HG22 ILE A 73 0.685 4.633 -4.516 1.00 4.21 H new ATOM 0 HG23 ILE A 73 -0.621 5.784 -4.882 1.00 4.21 H new ATOM 0 HD11 ILE A 73 -4.252 2.922 -5.237 1.00 42.23 H new ATOM 0 HD12 ILE A 73 -2.884 1.837 -5.579 1.00 42.23 H new ATOM 0 HD13 ILE A 73 -2.928 2.761 -4.059 1.00 42.23 H new ATOM 1114 N ILE A 74 0.622 2.019 -7.839 1.00 61.22 N ATOM 1115 CA ILE A 74 0.643 0.802 -8.640 1.00 64.34 C ATOM 1116 C ILE A 74 1.407 -0.310 -7.931 1.00 4.24 C ATOM 1117 O ILE A 74 2.389 -0.057 -7.233 1.00 64.11 O ATOM 1118 CB ILE A 74 1.278 1.048 -10.021 1.00 3.14 C ATOM 1119 CG1 ILE A 74 1.001 -0.134 -10.953 1.00 31.11 C ATOM 1120 CG2 ILE A 74 2.775 1.279 -9.881 1.00 15.23 C ATOM 1121 CD1 ILE A 74 0.263 0.251 -12.215 1.00 44.51 C ATOM 0 H ILE A 74 1.419 2.124 -7.211 1.00 61.22 H new ATOM 0 HA ILE A 74 -0.394 0.496 -8.776 1.00 64.34 H new ATOM 0 HB ILE A 74 0.830 1.942 -10.456 1.00 3.14 H new ATOM 0 HG12 ILE A 74 1.947 -0.602 -11.224 1.00 31.11 H new ATOM 0 HG13 ILE A 74 0.418 -0.882 -10.415 1.00 31.11 H new ATOM 0 HG21 ILE A 74 3.210 1.451 -10.865 1.00 15.23 H new ATOM 0 HG22 ILE A 74 2.951 2.149 -9.249 1.00 15.23 H new ATOM 0 HG23 ILE A 74 3.238 0.402 -9.428 1.00 15.23 H new ATOM 0 HD11 ILE A 74 0.101 -0.636 -12.827 1.00 44.51 H new ATOM 0 HD12 ILE A 74 -0.699 0.692 -11.954 1.00 44.51 H new ATOM 0 HD13 ILE A 74 0.854 0.976 -12.775 1.00 44.51 H new ATOM 1132 N THR A 75 0.952 -1.546 -8.118 1.00 50.21 N ATOM 1133 CA THR A 75 1.594 -2.698 -7.497 1.00 24.01 C ATOM 1134 C THR A 75 1.902 -3.778 -8.529 1.00 32.21 C ATOM 1135 O THR A 75 1.270 -3.839 -9.583 1.00 54.24 O ATOM 1136 CB THR A 75 0.713 -3.302 -6.387 1.00 51.35 C ATOM 1137 OG1 THR A 75 1.526 -4.021 -5.453 1.00 51.33 O ATOM 1138 CG2 THR A 75 -0.338 -4.231 -6.974 1.00 5.31 C ATOM 0 H THR A 75 0.142 -1.774 -8.694 1.00 50.21 H new ATOM 0 HA THR A 75 2.526 -2.342 -7.058 1.00 24.01 H new ATOM 0 HB THR A 75 0.205 -2.486 -5.873 1.00 51.35 H new ATOM 0 HG1 THR A 75 2.424 -3.629 -5.432 1.00 51.33 H new ATOM 0 HG21 THR A 75 -0.947 -4.645 -6.171 1.00 5.31 H new ATOM 0 HG22 THR A 75 -0.974 -3.673 -7.661 1.00 5.31 H new ATOM 0 HG23 THR A 75 0.153 -5.042 -7.512 1.00 5.31 H new ATOM 1146 N GLN A 76 2.876 -4.627 -8.217 1.00 71.44 N ATOM 1147 CA GLN A 76 3.266 -5.705 -9.118 1.00 12.40 C ATOM 1148 C GLN A 76 3.547 -6.988 -8.343 1.00 15.55 C ATOM 1149 O GLN A 76 4.233 -6.970 -7.321 1.00 71.25 O ATOM 1150 CB GLN A 76 4.501 -5.301 -9.925 1.00 0.33 C ATOM 1151 CG GLN A 76 4.407 -5.654 -11.400 1.00 63.12 C ATOM 1152 CD GLN A 76 5.385 -4.871 -12.253 1.00 34.33 C ATOM 1153 OE1 GLN A 76 5.378 -3.552 -12.101 1.00 3.00 O flip ATOM 1154 NE2 GLN A 76 6.140 -5.444 -13.038 1.00 73.31 N flip ATOM 0 H GLN A 76 3.409 -4.589 -7.348 1.00 71.44 H new ATOM 0 HA GLN A 76 2.438 -5.890 -9.802 1.00 12.40 H new ATOM 0 HB2 GLN A 76 4.653 -4.226 -9.826 1.00 0.33 H new ATOM 0 HB3 GLN A 76 5.378 -5.788 -9.499 1.00 0.33 H new ATOM 0 HG2 GLN A 76 4.594 -6.720 -11.527 1.00 63.12 H new ATOM 0 HG3 GLN A 76 3.393 -5.464 -11.751 1.00 63.12 H new ATOM 0 HE21 GLN A 76 6.112 -6.460 -13.123 1.00 73.31 H new ATOM 0 HE22 GLN A 76 6.794 -4.903 -13.604 1.00 73.31 H new ATOM 1161 N GLY A 77 3.014 -8.101 -8.836 1.00 45.33 N ATOM 1162 CA GLY A 77 3.218 -9.377 -8.176 1.00 45.21 C ATOM 1163 C GLY A 77 4.454 -10.097 -8.679 1.00 24.44 C ATOM 1164 O GLY A 77 5.150 -9.606 -9.567 1.00 61.31 O ATOM 0 H GLY A 77 2.444 -8.142 -9.681 1.00 45.33 H new ATOM 0 HA2 GLY A 77 3.306 -9.217 -7.101 1.00 45.21 H new ATOM 0 HA3 GLY A 77 2.344 -10.008 -8.334 1.00 45.21 H new ATOM 1168 N ALA A 78 4.729 -11.265 -8.108 1.00 63.40 N ATOM 1169 CA ALA A 78 5.889 -12.055 -8.503 1.00 52.40 C ATOM 1170 C ALA A 78 5.505 -13.510 -8.751 1.00 52.52 C ATOM 1171 O ALA A 78 4.496 -13.992 -8.236 1.00 54.13 O ATOM 1172 CB ALA A 78 6.974 -11.968 -7.440 1.00 55.13 C ATOM 0 H ALA A 78 4.164 -11.685 -7.370 1.00 63.40 H new ATOM 0 HA ALA A 78 6.275 -11.645 -9.436 1.00 52.40 H new ATOM 0 HB1 ALA A 78 7.834 -12.563 -7.748 1.00 55.13 H new ATOM 0 HB2 ALA A 78 7.278 -10.929 -7.314 1.00 55.13 H new ATOM 0 HB3 ALA A 78 6.589 -12.350 -6.495 1.00 55.13 H new ATOM 1178 N ARG A 79 6.315 -14.203 -9.543 1.00 24.21 N ATOM 1179 CA ARG A 79 6.058 -15.604 -9.861 1.00 52.12 C ATOM 1180 C ARG A 79 7.315 -16.445 -9.664 1.00 43.22 C ATOM 1181 O ARG A 79 8.433 -15.959 -9.836 1.00 73.04 O ATOM 1182 CB ARG A 79 5.561 -15.739 -11.302 1.00 10.21 C ATOM 1183 CG ARG A 79 6.643 -15.502 -12.343 1.00 51.20 C ATOM 1184 CD ARG A 79 6.094 -15.635 -13.756 1.00 2.05 C ATOM 1185 NE ARG A 79 7.105 -15.334 -14.766 1.00 14.54 N ATOM 1186 CZ ARG A 79 6.927 -15.532 -16.066 1.00 44.22 C ATOM 1187 NH1 ARG A 79 5.782 -16.031 -16.513 1.00 54.44 N ATOM 1188 NH2 ARG A 79 7.894 -15.233 -16.924 1.00 72.02 N ATOM 0 H ARG A 79 7.155 -13.819 -9.977 1.00 24.21 H new ATOM 0 HA ARG A 79 5.287 -15.970 -9.182 1.00 52.12 H new ATOM 0 HB2 ARG A 79 5.146 -16.737 -11.442 1.00 10.21 H new ATOM 0 HB3 ARG A 79 4.749 -15.030 -11.466 1.00 10.21 H new ATOM 0 HG2 ARG A 79 7.068 -14.507 -12.208 1.00 51.20 H new ATOM 0 HG3 ARG A 79 7.453 -16.217 -12.197 1.00 51.20 H new ATOM 0 HD2 ARG A 79 5.722 -16.648 -13.906 1.00 2.05 H new ATOM 0 HD3 ARG A 79 5.246 -14.962 -13.880 1.00 2.05 H new ATOM 0 HE ARG A 79 7.997 -14.950 -14.455 1.00 14.54 H new ATOM 0 HH11 ARG A 79 5.036 -16.263 -15.857 1.00 54.44 H new ATOM 0 HH12 ARG A 79 5.647 -16.182 -17.513 1.00 54.44 H new ATOM 0 HH21 ARG A 79 8.776 -14.850 -16.585 1.00 72.02 H new ATOM 0 HH22 ARG A 79 7.755 -15.386 -17.923 1.00 72.02 H new ATOM 1199 N ASP A 80 7.124 -17.709 -9.302 1.00 33.22 N ATOM 1200 CA ASP A 80 8.242 -18.619 -9.081 1.00 55.51 C ATOM 1201 C ASP A 80 8.259 -19.724 -10.133 1.00 41.23 C ATOM 1202 O ASP A 80 8.539 -20.883 -9.827 1.00 30.30 O ATOM 1203 CB ASP A 80 8.161 -19.231 -7.682 1.00 41.14 C ATOM 1204 CG ASP A 80 9.530 -19.512 -7.093 1.00 42.22 C ATOM 1205 OD1 ASP A 80 10.156 -18.566 -6.569 1.00 61.52 O ATOM 1206 OD2 ASP A 80 9.974 -20.677 -7.155 1.00 55.41 O ATOM 0 H ASP A 80 6.205 -18.127 -9.155 1.00 33.22 H new ATOM 0 HA ASP A 80 9.166 -18.047 -9.165 1.00 55.51 H new ATOM 0 HB2 ASP A 80 7.617 -18.554 -7.023 1.00 41.14 H new ATOM 0 HB3 ASP A 80 7.590 -20.159 -7.727 1.00 41.14 H new ATOM 1210 N PHE A 81 7.956 -19.356 -11.374 1.00 22.34 N ATOM 1211 CA PHE A 81 7.934 -20.318 -12.471 1.00 55.41 C ATOM 1212 C PHE A 81 6.875 -21.390 -12.234 1.00 52.20 C ATOM 1213 O PHE A 81 7.137 -22.406 -11.594 1.00 20.25 O ATOM 1214 CB PHE A 81 9.309 -20.969 -12.634 1.00 20.32 C ATOM 1215 CG PHE A 81 10.443 -19.985 -12.628 1.00 31.44 C ATOM 1216 CD1 PHE A 81 10.854 -19.373 -13.802 1.00 35.30 C ATOM 1217 CD2 PHE A 81 11.099 -19.671 -11.448 1.00 12.12 C ATOM 1218 CE1 PHE A 81 11.898 -18.467 -13.798 1.00 24.51 C ATOM 1219 CE2 PHE A 81 12.144 -18.766 -11.439 1.00 2.11 C ATOM 1220 CZ PHE A 81 12.543 -18.163 -12.615 1.00 4.13 C ATOM 0 H PHE A 81 7.723 -18.401 -11.645 1.00 22.34 H new ATOM 0 HA PHE A 81 7.683 -19.782 -13.386 1.00 55.41 H new ATOM 0 HB2 PHE A 81 9.459 -21.689 -11.829 1.00 20.32 H new ATOM 0 HB3 PHE A 81 9.329 -21.528 -13.569 1.00 20.32 H new ATOM 0 HD1 PHE A 81 10.353 -19.607 -14.730 1.00 35.30 H new ATOM 0 HD2 PHE A 81 10.790 -20.139 -10.525 1.00 12.12 H new ATOM 0 HE1 PHE A 81 12.209 -17.997 -14.719 1.00 24.51 H new ATOM 0 HE2 PHE A 81 12.648 -18.531 -10.513 1.00 2.11 H new ATOM 0 HZ PHE A 81 13.358 -17.455 -12.610 1.00 4.13 H new ATOM 1229 N GLY A 82 5.675 -21.154 -12.757 1.00 44.34 N ATOM 1230 CA GLY A 82 4.593 -22.107 -12.591 1.00 43.30 C ATOM 1231 C GLY A 82 3.757 -21.827 -11.358 1.00 41.21 C ATOM 1232 O GLY A 82 2.530 -21.915 -11.399 1.00 21.33 O ATOM 0 H GLY A 82 5.433 -20.320 -13.292 1.00 44.34 H new ATOM 0 HA2 GLY A 82 3.953 -22.083 -13.473 1.00 43.30 H new ATOM 0 HA3 GLY A 82 5.006 -23.113 -12.525 1.00 43.30 H new ATOM 1236 N HIS A 83 4.423 -21.490 -10.258 1.00 40.33 N ATOM 1237 CA HIS A 83 3.733 -21.197 -9.007 1.00 10.12 C ATOM 1238 C HIS A 83 3.487 -19.698 -8.859 1.00 1.55 C ATOM 1239 O HIS A 83 3.581 -19.150 -7.761 1.00 60.33 O ATOM 1240 CB HIS A 83 4.546 -21.712 -7.819 1.00 71.22 C ATOM 1241 CG HIS A 83 4.381 -23.181 -7.572 1.00 55.25 C ATOM 1242 ND1 HIS A 83 4.629 -24.138 -8.533 1.00 70.41 N ATOM 1243 CD2 HIS A 83 3.991 -23.853 -6.464 1.00 14.32 C ATOM 1244 CE1 HIS A 83 4.398 -25.336 -8.027 1.00 61.23 C ATOM 1245 NE2 HIS A 83 4.010 -25.191 -6.772 1.00 45.23 N ATOM 0 H HIS A 83 5.439 -21.413 -10.208 1.00 40.33 H new ATOM 0 HA HIS A 83 2.769 -21.705 -9.026 1.00 10.12 H new ATOM 0 HB2 HIS A 83 5.601 -21.497 -7.990 1.00 71.22 H new ATOM 0 HB3 HIS A 83 4.251 -21.166 -6.923 1.00 71.22 H new ATOM 0 HD2 HIS A 83 3.716 -23.418 -5.514 1.00 14.32 H new ATOM 0 HE1 HIS A 83 4.508 -26.275 -8.550 1.00 61.23 H new ATOM 0 HE2 HIS A 83 3.765 -25.950 -6.136 1.00 45.23 H new ATOM 1252 N ILE A 84 3.177 -19.043 -9.972 1.00 72.15 N ATOM 1253 CA ILE A 84 2.918 -17.607 -9.965 1.00 45.40 C ATOM 1254 C ILE A 84 2.127 -17.197 -8.729 1.00 74.31 C ATOM 1255 O ILE A 84 1.090 -17.785 -8.420 1.00 34.32 O ATOM 1256 CB ILE A 84 2.146 -17.169 -11.223 1.00 2.41 C ATOM 1257 CG1 ILE A 84 2.928 -17.544 -12.484 1.00 44.33 C ATOM 1258 CG2 ILE A 84 1.879 -15.671 -11.186 1.00 21.41 C ATOM 1259 CD1 ILE A 84 2.140 -18.400 -13.451 1.00 40.21 C ATOM 0 H ILE A 84 3.099 -19.482 -10.889 1.00 72.15 H new ATOM 0 HA ILE A 84 3.889 -17.111 -9.953 1.00 45.40 H new ATOM 0 HB ILE A 84 1.188 -17.689 -11.243 1.00 2.41 H new ATOM 0 HG12 ILE A 84 3.242 -16.632 -12.992 1.00 44.33 H new ATOM 0 HG13 ILE A 84 3.834 -18.077 -12.195 1.00 44.33 H new ATOM 0 HG21 ILE A 84 1.333 -15.377 -12.082 1.00 21.41 H new ATOM 0 HG22 ILE A 84 1.287 -15.429 -10.304 1.00 21.41 H new ATOM 0 HG23 ILE A 84 2.826 -15.133 -11.146 1.00 21.41 H new ATOM 0 HD11 ILE A 84 2.756 -18.627 -14.321 1.00 40.21 H new ATOM 0 HD12 ILE A 84 1.848 -19.329 -12.960 1.00 40.21 H new ATOM 0 HD13 ILE A 84 1.247 -17.862 -13.769 1.00 40.21 H new ATOM 1270 N GLN A 85 2.622 -16.183 -8.025 1.00 65.41 N ATOM 1271 CA GLN A 85 1.959 -15.693 -6.822 1.00 24.13 C ATOM 1272 C GLN A 85 1.528 -14.240 -6.992 1.00 24.13 C ATOM 1273 O GLN A 85 1.978 -13.552 -7.907 1.00 14.24 O ATOM 1274 CB GLN A 85 2.888 -15.824 -5.614 1.00 10.05 C ATOM 1275 CG GLN A 85 3.485 -17.213 -5.453 1.00 22.31 C ATOM 1276 CD GLN A 85 4.888 -17.315 -6.020 1.00 42.22 C ATOM 1277 OE1 GLN A 85 5.101 -17.117 -7.217 1.00 24.35 O ATOM 1278 NE2 GLN A 85 5.852 -17.625 -5.162 1.00 13.21 N ATOM 0 H GLN A 85 3.479 -15.686 -8.267 1.00 65.41 H new ATOM 0 HA GLN A 85 1.069 -16.300 -6.655 1.00 24.13 H new ATOM 0 HB2 GLN A 85 3.696 -15.099 -5.708 1.00 10.05 H new ATOM 0 HB3 GLN A 85 2.334 -15.569 -4.711 1.00 10.05 H new ATOM 0 HG2 GLN A 85 3.505 -17.475 -4.395 1.00 22.31 H new ATOM 0 HG3 GLN A 85 2.843 -17.940 -5.950 1.00 22.31 H new ATOM 0 HE21 GLN A 85 5.629 -17.780 -4.179 1.00 13.21 H new ATOM 0 HE22 GLN A 85 6.816 -17.708 -5.486 1.00 13.21 H new ATOM 1285 N TYR A 86 0.651 -13.782 -6.105 1.00 33.35 N ATOM 1286 CA TYR A 86 0.157 -12.411 -6.158 1.00 71.42 C ATOM 1287 C TYR A 86 -0.824 -12.142 -5.021 1.00 41.24 C ATOM 1288 O TYR A 86 -1.498 -13.051 -4.538 1.00 25.21 O ATOM 1289 CB TYR A 86 -0.519 -12.142 -7.504 1.00 2.22 C ATOM 1290 CG TYR A 86 -1.501 -13.216 -7.913 1.00 44.24 C ATOM 1291 CD1 TYR A 86 -1.092 -14.314 -8.660 1.00 55.44 C ATOM 1292 CD2 TYR A 86 -2.840 -13.133 -7.551 1.00 64.03 C ATOM 1293 CE1 TYR A 86 -1.987 -15.295 -9.037 1.00 3.44 C ATOM 1294 CE2 TYR A 86 -3.743 -14.112 -7.922 1.00 52.31 C ATOM 1295 CZ TYR A 86 -3.311 -15.190 -8.665 1.00 3.23 C ATOM 1296 OH TYR A 86 -4.205 -16.167 -9.037 1.00 23.02 O ATOM 0 H TYR A 86 0.268 -14.340 -5.342 1.00 33.35 H new ATOM 0 HA TYR A 86 1.009 -11.740 -6.046 1.00 71.42 H new ATOM 0 HB2 TYR A 86 -1.039 -11.185 -7.455 1.00 2.22 H new ATOM 0 HB3 TYR A 86 0.247 -12.049 -8.274 1.00 2.22 H new ATOM 0 HD1 TYR A 86 -0.056 -14.401 -8.951 1.00 55.44 H new ATOM 0 HD2 TYR A 86 -3.181 -12.289 -6.970 1.00 64.03 H new ATOM 0 HE1 TYR A 86 -1.652 -16.140 -9.620 1.00 3.44 H new ATOM 0 HE2 TYR A 86 -4.780 -14.033 -7.632 1.00 52.31 H new ATOM 0 HH TYR A 86 -5.095 -15.943 -8.694 1.00 23.02 H new ATOM 1305 N VAL A 87 -0.899 -10.884 -4.599 1.00 73.32 N ATOM 1306 CA VAL A 87 -1.798 -10.492 -3.519 1.00 44.24 C ATOM 1307 C VAL A 87 -3.125 -9.980 -4.069 1.00 55.42 C ATOM 1308 O VAL A 87 -3.163 -9.296 -5.093 1.00 33.34 O ATOM 1309 CB VAL A 87 -1.169 -9.403 -2.631 1.00 51.31 C ATOM 1310 CG1 VAL A 87 -1.983 -9.213 -1.361 1.00 71.51 C ATOM 1311 CG2 VAL A 87 0.274 -9.753 -2.302 1.00 24.13 C ATOM 0 H VAL A 87 -0.348 -10.119 -4.988 1.00 73.32 H new ATOM 0 HA VAL A 87 -1.976 -11.383 -2.916 1.00 44.24 H new ATOM 0 HB VAL A 87 -1.175 -8.462 -3.181 1.00 51.31 H new ATOM 0 HG11 VAL A 87 -1.523 -8.439 -0.746 1.00 71.51 H new ATOM 0 HG12 VAL A 87 -2.998 -8.914 -1.621 1.00 71.51 H new ATOM 0 HG13 VAL A 87 -2.012 -10.149 -0.804 1.00 71.51 H new ATOM 0 HG21 VAL A 87 0.703 -8.973 -1.674 1.00 24.13 H new ATOM 0 HG22 VAL A 87 0.306 -10.705 -1.771 1.00 24.13 H new ATOM 0 HG23 VAL A 87 0.849 -9.833 -3.225 1.00 24.13 H new ATOM 1321 N ALA A 88 -4.212 -10.314 -3.382 1.00 45.42 N ATOM 1322 CA ALA A 88 -5.542 -9.886 -3.800 1.00 44.33 C ATOM 1323 C ALA A 88 -5.997 -8.663 -3.011 1.00 41.44 C ATOM 1324 O ALA A 88 -6.127 -7.570 -3.562 1.00 50.30 O ATOM 1325 CB ALA A 88 -6.539 -11.023 -3.637 1.00 25.42 C ATOM 0 H ALA A 88 -4.198 -10.880 -2.533 1.00 45.42 H new ATOM 0 HA ALA A 88 -5.494 -9.610 -4.853 1.00 44.33 H new ATOM 0 HB1 ALA A 88 -7.527 -10.689 -3.953 1.00 25.42 H new ATOM 0 HB2 ALA A 88 -6.229 -11.869 -4.250 1.00 25.42 H new ATOM 0 HB3 ALA A 88 -6.576 -11.327 -2.591 1.00 25.42 H new ATOM 1331 N SER A 89 -6.241 -8.855 -1.719 1.00 13.31 N ATOM 1332 CA SER A 89 -6.687 -7.768 -0.855 1.00 24.20 C ATOM 1333 C SER A 89 -5.502 -7.106 -0.159 1.00 21.35 C ATOM 1334 O SER A 89 -4.711 -7.770 0.511 1.00 3.22 O ATOM 1335 CB SER A 89 -7.678 -8.291 0.187 1.00 41.14 C ATOM 1336 OG SER A 89 -8.575 -9.226 -0.386 1.00 11.14 O ATOM 0 H SER A 89 -6.137 -9.753 -1.247 1.00 13.31 H new ATOM 0 HA SER A 89 -7.183 -7.023 -1.477 1.00 24.20 H new ATOM 0 HB2 SER A 89 -7.134 -8.760 1.007 1.00 41.14 H new ATOM 0 HB3 SER A 89 -8.238 -7.458 0.611 1.00 41.14 H new ATOM 0 HG SER A 89 -9.474 -9.081 -0.024 1.00 11.14 H new ATOM 1341 N TYR A 90 -5.386 -5.793 -0.322 1.00 65.14 N ATOM 1342 CA TYR A 90 -4.297 -5.039 0.288 1.00 24.55 C ATOM 1343 C TYR A 90 -4.786 -3.684 0.789 1.00 1.12 C ATOM 1344 O TYR A 90 -5.639 -3.051 0.169 1.00 55.04 O ATOM 1345 CB TYR A 90 -3.159 -4.845 -0.716 1.00 74.12 C ATOM 1346 CG TYR A 90 -1.793 -5.168 -0.153 1.00 61.22 C ATOM 1347 CD1 TYR A 90 -1.290 -4.476 0.941 1.00 12.23 C ATOM 1348 CD2 TYR A 90 -1.007 -6.165 -0.715 1.00 45.11 C ATOM 1349 CE1 TYR A 90 -0.042 -4.766 1.458 1.00 11.33 C ATOM 1350 CE2 TYR A 90 0.241 -6.465 -0.204 1.00 53.42 C ATOM 1351 CZ TYR A 90 0.720 -5.762 0.882 1.00 51.41 C ATOM 1352 OH TYR A 90 1.962 -6.056 1.395 1.00 11.31 O ATOM 0 H TYR A 90 -6.033 -5.228 -0.872 1.00 65.14 H new ATOM 0 HA TYR A 90 -3.927 -5.608 1.141 1.00 24.55 H new ATOM 0 HB2 TYR A 90 -3.342 -5.475 -1.586 1.00 74.12 H new ATOM 0 HB3 TYR A 90 -3.164 -3.812 -1.064 1.00 74.12 H new ATOM 0 HD1 TYR A 90 -1.885 -3.698 1.396 1.00 12.23 H new ATOM 0 HD2 TYR A 90 -1.378 -6.716 -1.567 1.00 45.11 H new ATOM 0 HE1 TYR A 90 0.335 -4.216 2.308 1.00 11.33 H new ATOM 0 HE2 TYR A 90 0.838 -7.245 -0.652 1.00 53.42 H new ATOM 0 HH TYR A 90 2.367 -6.782 0.876 1.00 11.31 H new ATOM 1361 N LYS A 91 -4.236 -3.246 1.917 1.00 43.12 N ATOM 1362 CA LYS A 91 -4.613 -1.965 2.504 1.00 61.13 C ATOM 1363 C LYS A 91 -3.557 -0.903 2.216 1.00 11.23 C ATOM 1364 O LYS A 91 -2.375 -1.095 2.503 1.00 74.31 O ATOM 1365 CB LYS A 91 -4.807 -2.110 4.015 1.00 1.14 C ATOM 1366 CG LYS A 91 -6.251 -1.953 4.460 1.00 33.22 C ATOM 1367 CD LYS A 91 -6.471 -0.635 5.183 1.00 35.12 C ATOM 1368 CE LYS A 91 -7.653 0.127 4.605 1.00 41.40 C ATOM 1369 NZ LYS A 91 -7.433 0.494 3.179 1.00 70.34 N ATOM 0 H LYS A 91 -3.528 -3.759 2.443 1.00 43.12 H new ATOM 0 HA LYS A 91 -5.553 -1.649 2.052 1.00 61.13 H new ATOM 0 HB2 LYS A 91 -4.444 -3.089 4.327 1.00 1.14 H new ATOM 0 HB3 LYS A 91 -4.195 -1.365 4.525 1.00 1.14 H new ATOM 0 HG2 LYS A 91 -6.908 -2.007 3.592 1.00 33.22 H new ATOM 0 HG3 LYS A 91 -6.522 -2.779 5.117 1.00 33.22 H new ATOM 0 HD2 LYS A 91 -6.642 -0.824 6.243 1.00 35.12 H new ATOM 0 HD3 LYS A 91 -5.572 -0.024 5.109 1.00 35.12 H new ATOM 0 HE2 LYS A 91 -8.553 -0.482 4.688 1.00 41.40 H new ATOM 0 HE3 LYS A 91 -7.824 1.031 5.190 1.00 41.40 H new ATOM 0 HZ1 LYS A 91 -7.400 1.530 3.088 1.00 70.34 H new ATOM 0 HZ2 LYS A 91 -6.533 0.089 2.851 1.00 70.34 H new ATOM 0 HZ3 LYS A 91 -8.212 0.120 2.600 1.00 70.34 H new ATOM 1379 N VAL A 92 -3.990 0.218 1.648 1.00 3.33 N ATOM 1380 CA VAL A 92 -3.081 1.311 1.323 1.00 74.34 C ATOM 1381 C VAL A 92 -3.252 2.474 2.294 1.00 71.32 C ATOM 1382 O VAL A 92 -4.313 3.095 2.354 1.00 2.22 O ATOM 1383 CB VAL A 92 -3.306 1.820 -0.113 1.00 5.32 C ATOM 1384 CG1 VAL A 92 -4.770 2.166 -0.335 1.00 12.42 C ATOM 1385 CG2 VAL A 92 -2.416 3.020 -0.398 1.00 4.44 C ATOM 0 H VAL A 92 -4.965 0.393 1.403 1.00 3.33 H new ATOM 0 HA VAL A 92 -2.068 0.916 1.407 1.00 74.34 H new ATOM 0 HB VAL A 92 -3.037 1.024 -0.808 1.00 5.32 H new ATOM 0 HG11 VAL A 92 -4.909 2.524 -1.355 1.00 12.42 H new ATOM 0 HG12 VAL A 92 -5.382 1.278 -0.175 1.00 12.42 H new ATOM 0 HG13 VAL A 92 -5.070 2.944 0.366 1.00 12.42 H new ATOM 0 HG21 VAL A 92 -2.588 3.367 -1.417 1.00 4.44 H new ATOM 0 HG22 VAL A 92 -2.651 3.822 0.302 1.00 4.44 H new ATOM 0 HG23 VAL A 92 -1.371 2.733 -0.284 1.00 4.44 H new ATOM 1395 N ALA A 93 -2.201 2.762 3.054 1.00 54.33 N ATOM 1396 CA ALA A 93 -2.234 3.853 4.021 1.00 11.34 C ATOM 1397 C ALA A 93 -1.109 4.851 3.762 1.00 4.00 C ATOM 1398 O ALA A 93 0.002 4.468 3.394 1.00 21.11 O ATOM 1399 CB ALA A 93 -2.138 3.305 5.437 1.00 64.53 C ATOM 0 H ALA A 93 -1.316 2.256 3.019 1.00 54.33 H new ATOM 0 HA ALA A 93 -3.183 4.377 3.908 1.00 11.34 H new ATOM 0 HB1 ALA A 93 -2.164 4.130 6.149 1.00 64.53 H new ATOM 0 HB2 ALA A 93 -2.978 2.636 5.626 1.00 64.53 H new ATOM 0 HB3 ALA A 93 -1.204 2.756 5.552 1.00 64.53 H new ATOM 1405 N HIS A 94 -1.406 6.132 3.954 1.00 13.00 N ATOM 1406 CA HIS A 94 -0.420 7.185 3.741 1.00 44.21 C ATOM 1407 C HIS A 94 -0.279 8.058 4.983 1.00 35.34 C ATOM 1408 O HIS A 94 -1.262 8.348 5.665 1.00 62.12 O ATOM 1409 CB HIS A 94 -0.815 8.048 2.540 1.00 25.33 C ATOM 1410 CG HIS A 94 -0.869 7.288 1.250 1.00 73.34 C ATOM 1411 ND1 HIS A 94 -0.168 7.666 0.125 1.00 22.23 N ATOM 1412 CD2 HIS A 94 -1.547 6.167 0.911 1.00 24.03 C ATOM 1413 CE1 HIS A 94 -0.413 6.810 -0.851 1.00 12.43 C ATOM 1414 NE2 HIS A 94 -1.245 5.891 -0.400 1.00 62.55 N ATOM 0 H HIS A 94 -2.321 6.466 4.257 1.00 13.00 H new ATOM 0 HA HIS A 94 0.541 6.712 3.540 1.00 44.21 H new ATOM 0 HB2 HIS A 94 -1.790 8.496 2.730 1.00 25.33 H new ATOM 0 HB3 HIS A 94 -0.102 8.867 2.441 1.00 25.33 H new ATOM 0 HD1 HIS A 94 0.444 8.479 0.057 1.00 22.23 H new ATOM 0 HD2 HIS A 94 -2.203 5.596 1.552 1.00 24.03 H new ATOM 0 HE1 HIS A 94 -0.002 6.855 -1.849 1.00 12.43 H new ATOM 1421 N SER A 95 0.950 8.472 5.274 1.00 72.10 N ATOM 1422 CA SER A 95 1.221 9.307 6.438 1.00 31.51 C ATOM 1423 C SER A 95 1.975 10.571 6.037 1.00 10.44 C ATOM 1424 O SER A 95 3.113 10.506 5.571 1.00 50.44 O ATOM 1425 CB SER A 95 2.028 8.526 7.478 1.00 45.22 C ATOM 1426 OG SER A 95 1.809 7.132 7.349 1.00 3.04 O ATOM 0 H SER A 95 1.774 8.242 4.719 1.00 72.10 H new ATOM 0 HA SER A 95 0.266 9.598 6.875 1.00 31.51 H new ATOM 0 HB2 SER A 95 3.089 8.744 7.358 1.00 45.22 H new ATOM 0 HB3 SER A 95 1.747 8.851 8.480 1.00 45.22 H new ATOM 0 HG SER A 95 2.664 6.658 7.423 1.00 3.04 H new ATOM 1431 N ASP A 96 1.334 11.719 6.223 1.00 4.10 N ATOM 1432 CA ASP A 96 1.944 12.999 5.881 1.00 60.45 C ATOM 1433 C ASP A 96 2.777 13.531 7.043 1.00 53.03 C ATOM 1434 O ASP A 96 3.829 14.138 6.839 1.00 44.34 O ATOM 1435 CB ASP A 96 0.865 14.016 5.502 1.00 12.53 C ATOM 1436 CG ASP A 96 -0.260 14.073 6.517 1.00 3.14 C ATOM 1437 OD1 ASP A 96 -1.131 13.179 6.487 1.00 31.04 O ATOM 1438 OD2 ASP A 96 -0.268 15.011 7.341 1.00 1.41 O ATOM 0 H ASP A 96 0.392 11.790 6.609 1.00 4.10 H new ATOM 0 HA ASP A 96 2.603 12.844 5.027 1.00 60.45 H new ATOM 0 HB2 ASP A 96 1.317 15.003 5.410 1.00 12.53 H new ATOM 0 HB3 ASP A 96 0.456 13.760 4.525 1.00 12.53 H new ATOM 1442 N ASP A 97 2.300 13.301 8.261 1.00 24.52 N ATOM 1443 CA ASP A 97 3.000 13.756 9.455 1.00 20.34 C ATOM 1444 C ASP A 97 3.878 12.647 10.027 1.00 3.25 C ATOM 1445 O ASP A 97 4.761 12.899 10.845 1.00 14.43 O ATOM 1446 CB ASP A 97 1.999 14.227 10.511 1.00 14.15 C ATOM 1447 CG ASP A 97 2.113 15.713 10.795 1.00 24.44 C ATOM 1448 OD1 ASP A 97 2.019 16.508 9.838 1.00 11.52 O ATOM 1449 OD2 ASP A 97 2.294 16.078 11.975 1.00 14.25 O ATOM 0 H ASP A 97 1.430 12.802 8.447 1.00 24.52 H new ATOM 0 HA ASP A 97 3.640 14.592 9.174 1.00 20.34 H new ATOM 0 HB2 ASP A 97 0.987 14.001 10.175 1.00 14.15 H new ATOM 0 HB3 ASP A 97 2.160 13.670 11.434 1.00 14.15 H new ATOM 1453 N GLY A 98 3.626 11.416 9.591 1.00 52.22 N ATOM 1454 CA GLY A 98 4.401 10.286 10.071 1.00 73.12 C ATOM 1455 C GLY A 98 3.683 9.511 11.158 1.00 40.24 C ATOM 1456 O GLY A 98 3.866 8.301 11.291 1.00 71.31 O ATOM 0 H GLY A 98 2.900 11.181 8.915 1.00 52.22 H new ATOM 0 HA2 GLY A 98 4.620 9.619 9.237 1.00 73.12 H new ATOM 0 HA3 GLY A 98 5.358 10.642 10.454 1.00 73.12 H new ATOM 1460 N VAL A 99 2.864 10.208 11.939 1.00 51.44 N ATOM 1461 CA VAL A 99 2.116 9.579 13.019 1.00 23.53 C ATOM 1462 C VAL A 99 0.674 9.307 12.605 1.00 40.14 C ATOM 1463 O VAL A 99 0.017 8.420 13.150 1.00 11.34 O ATOM 1464 CB VAL A 99 2.119 10.452 14.288 1.00 51.21 C ATOM 1465 CG1 VAL A 99 1.581 11.842 13.980 1.00 32.44 C ATOM 1466 CG2 VAL A 99 1.307 9.791 15.391 1.00 30.44 C ATOM 0 H VAL A 99 2.702 11.210 11.843 1.00 51.44 H new ATOM 0 HA VAL A 99 2.612 8.633 13.237 1.00 23.53 H new ATOM 0 HB VAL A 99 3.147 10.554 14.636 1.00 51.21 H new ATOM 0 HG11 VAL A 99 1.590 12.445 14.888 1.00 32.44 H new ATOM 0 HG12 VAL A 99 2.207 12.315 13.224 1.00 32.44 H new ATOM 0 HG13 VAL A 99 0.560 11.763 13.608 1.00 32.44 H new ATOM 0 HG21 VAL A 99 1.320 10.421 16.280 1.00 30.44 H new ATOM 0 HG22 VAL A 99 0.278 9.658 15.056 1.00 30.44 H new ATOM 0 HG23 VAL A 99 1.740 8.819 15.629 1.00 30.44 H new ATOM 1476 N GLN A 100 0.188 10.077 11.637 1.00 61.34 N ATOM 1477 CA GLN A 100 -1.177 9.920 11.150 1.00 41.15 C ATOM 1478 C GLN A 100 -1.221 8.984 9.945 1.00 52.23 C ATOM 1479 O GLN A 100 -0.928 9.391 8.821 1.00 20.41 O ATOM 1480 CB GLN A 100 -1.768 11.280 10.775 1.00 41.12 C ATOM 1481 CG GLN A 100 -1.694 12.305 11.896 1.00 65.45 C ATOM 1482 CD GLN A 100 -2.349 13.622 11.527 1.00 22.51 C ATOM 1483 OE1 GLN A 100 -3.571 13.708 11.404 1.00 24.14 O ATOM 1484 NE2 GLN A 100 -1.536 14.657 11.350 1.00 65.35 N ATOM 0 H GLN A 100 0.719 10.815 11.175 1.00 61.34 H new ATOM 0 HA GLN A 100 -1.773 9.481 11.951 1.00 41.15 H new ATOM 0 HB2 GLN A 100 -1.241 11.668 9.903 1.00 41.12 H new ATOM 0 HB3 GLN A 100 -2.810 11.146 10.484 1.00 41.12 H new ATOM 0 HG2 GLN A 100 -2.177 11.900 12.786 1.00 65.45 H new ATOM 0 HG3 GLN A 100 -0.650 12.482 12.153 1.00 65.45 H new ATOM 0 HE21 GLN A 100 -0.529 14.540 11.462 1.00 65.35 H new ATOM 0 HE22 GLN A 100 -1.919 15.569 11.102 1.00 65.35 H new ATOM 1491 N TRP A 101 -1.589 7.732 10.189 1.00 42.23 N ATOM 1492 CA TRP A 101 -1.670 6.739 9.124 1.00 43.24 C ATOM 1493 C TRP A 101 -3.089 6.647 8.573 1.00 52.21 C ATOM 1494 O TRP A 101 -3.942 5.961 9.136 1.00 52.13 O ATOM 1495 CB TRP A 101 -1.221 5.371 9.639 1.00 3.04 C ATOM 1496 CG TRP A 101 -0.006 5.436 10.515 1.00 62.31 C ATOM 1497 CD1 TRP A 101 1.064 6.272 10.373 1.00 43.44 C ATOM 1498 CD2 TRP A 101 0.261 4.632 11.669 1.00 4.13 C ATOM 1499 NE1 TRP A 101 1.981 6.036 11.368 1.00 12.21 N ATOM 1500 CE2 TRP A 101 1.512 5.035 12.177 1.00 64.53 C ATOM 1501 CE3 TRP A 101 -0.434 3.611 12.324 1.00 42.42 C ATOM 1502 CZ2 TRP A 101 2.079 4.451 13.307 1.00 42.05 C ATOM 1503 CZ3 TRP A 101 0.130 3.033 13.445 1.00 12.12 C ATOM 1504 CH2 TRP A 101 1.376 3.455 13.927 1.00 20.55 C ATOM 0 H TRP A 101 -1.836 7.380 11.114 1.00 42.23 H new ATOM 0 HA TRP A 101 -1.006 7.052 8.318 1.00 43.24 H new ATOM 0 HB2 TRP A 101 -2.039 4.914 10.197 1.00 3.04 H new ATOM 0 HB3 TRP A 101 -1.013 4.721 8.789 1.00 3.04 H new ATOM 0 HD1 TRP A 101 1.173 7.011 9.593 1.00 43.44 H new ATOM 0 HE1 TRP A 101 2.868 6.527 11.485 1.00 12.21 H new ATOM 0 HE3 TRP A 101 -1.395 3.280 11.960 1.00 42.42 H new ATOM 0 HZ2 TRP A 101 3.040 4.773 13.681 1.00 42.05 H new ATOM 0 HZ3 TRP A 101 -0.398 2.243 13.958 1.00 12.12 H new ATOM 0 HH2 TRP A 101 1.790 2.984 14.806 1.00 20.55 H new ATOM 1514 N THR A 102 -3.337 7.343 7.467 1.00 1.25 N ATOM 1515 CA THR A 102 -4.652 7.340 6.840 1.00 72.23 C ATOM 1516 C THR A 102 -4.796 6.175 5.867 1.00 35.42 C ATOM 1517 O THR A 102 -4.245 6.202 4.766 1.00 20.45 O ATOM 1518 CB THR A 102 -4.919 8.657 6.089 1.00 74.05 C ATOM 1519 OG1 THR A 102 -4.931 9.754 7.010 1.00 24.41 O ATOM 1520 CG2 THR A 102 -6.247 8.598 5.347 1.00 14.15 C ATOM 0 H THR A 102 -2.643 7.916 6.987 1.00 1.25 H new ATOM 0 HA THR A 102 -5.383 7.232 7.641 1.00 72.23 H new ATOM 0 HB THR A 102 -4.120 8.802 5.362 1.00 74.05 H new ATOM 0 HG1 THR A 102 -5.100 10.588 6.523 1.00 24.41 H new ATOM 0 HG21 THR A 102 -6.414 9.540 4.824 1.00 14.15 H new ATOM 0 HG22 THR A 102 -6.225 7.781 4.626 1.00 14.15 H new ATOM 0 HG23 THR A 102 -7.055 8.431 6.059 1.00 14.15 H new ATOM 1528 N VAL A 103 -5.539 5.153 6.280 1.00 72.25 N ATOM 1529 CA VAL A 103 -5.756 3.979 5.443 1.00 72.03 C ATOM 1530 C VAL A 103 -6.963 4.170 4.531 1.00 12.10 C ATOM 1531 O VAL A 103 -7.175 3.397 3.596 1.00 73.13 O ATOM 1532 CB VAL A 103 -5.967 2.714 6.296 1.00 11.33 C ATOM 1533 CG1 VAL A 103 -4.772 2.480 7.209 1.00 73.14 C ATOM 1534 CG2 VAL A 103 -7.252 2.822 7.103 1.00 52.41 C ATOM 0 H VAL A 103 -6.001 5.114 7.189 1.00 72.25 H new ATOM 0 HA VAL A 103 -4.860 3.854 4.835 1.00 72.03 H new ATOM 0 HB VAL A 103 -6.057 1.858 5.628 1.00 11.33 H new ATOM 0 HG11 VAL A 103 -4.939 1.582 7.804 1.00 73.14 H new ATOM 0 HG12 VAL A 103 -3.873 2.354 6.606 1.00 73.14 H new ATOM 0 HG13 VAL A 103 -4.647 3.336 7.872 1.00 73.14 H new ATOM 0 HG21 VAL A 103 -7.384 1.919 7.699 1.00 52.41 H new ATOM 0 HG22 VAL A 103 -7.196 3.688 7.763 1.00 52.41 H new ATOM 0 HG23 VAL A 103 -8.098 2.937 6.426 1.00 52.41 H new ATOM 1544 N TYR A 104 -7.749 5.204 4.808 1.00 72.31 N ATOM 1545 CA TYR A 104 -8.936 5.496 4.014 1.00 42.22 C ATOM 1546 C TYR A 104 -9.918 4.329 4.051 1.00 30.24 C ATOM 1547 O TYR A 104 -9.814 3.391 3.262 1.00 62.13 O ATOM 1548 CB TYR A 104 -8.544 5.800 2.566 1.00 73.21 C ATOM 1549 CG TYR A 104 -7.593 6.967 2.429 1.00 74.25 C ATOM 1550 CD1 TYR A 104 -8.051 8.276 2.515 1.00 51.22 C ATOM 1551 CD2 TYR A 104 -6.237 6.761 2.212 1.00 13.33 C ATOM 1552 CE1 TYR A 104 -7.186 9.347 2.390 1.00 25.44 C ATOM 1553 CE2 TYR A 104 -5.364 7.825 2.086 1.00 32.22 C ATOM 1554 CZ TYR A 104 -5.843 9.115 2.176 1.00 31.32 C ATOM 1555 OH TYR A 104 -4.977 10.177 2.051 1.00 42.22 O ATOM 0 H TYR A 104 -7.585 5.854 5.577 1.00 72.31 H new ATOM 0 HA TYR A 104 -9.423 6.371 4.444 1.00 42.22 H new ATOM 0 HB2 TYR A 104 -8.084 4.914 2.129 1.00 73.21 H new ATOM 0 HB3 TYR A 104 -9.446 6.007 1.990 1.00 73.21 H new ATOM 0 HD1 TYR A 104 -9.102 8.460 2.683 1.00 51.22 H new ATOM 0 HD2 TYR A 104 -5.858 5.752 2.140 1.00 13.33 H new ATOM 0 HE1 TYR A 104 -7.559 10.358 2.459 1.00 25.44 H new ATOM 0 HE2 TYR A 104 -4.312 7.647 1.918 1.00 32.22 H new ATOM 0 HH TYR A 104 -4.068 9.842 1.905 1.00 42.22 H new ATOM 1632 N LYS A 111 -11.976 -0.274 2.860 1.00 4.44 N ATOM 1633 CA LYS A 111 -12.141 -0.409 1.418 1.00 65.40 C ATOM 1634 C LYS A 111 -10.914 -1.061 0.788 1.00 62.33 C ATOM 1635 O LYS A 111 -10.684 -0.941 -0.415 1.00 10.32 O ATOM 1636 CB LYS A 111 -12.388 0.960 0.781 1.00 11.25 C ATOM 1637 CG LYS A 111 -11.300 1.976 1.085 1.00 50.33 C ATOM 1638 CD LYS A 111 -10.140 1.860 0.111 1.00 24.23 C ATOM 1639 CE LYS A 111 -9.746 3.215 -0.453 1.00 53.42 C ATOM 1640 NZ LYS A 111 -10.447 3.508 -1.734 1.00 73.14 N ATOM 0 HA LYS A 111 -13.004 -1.049 1.235 1.00 65.40 H new ATOM 0 HB2 LYS A 111 -12.470 0.840 -0.299 1.00 11.25 H new ATOM 0 HB3 LYS A 111 -13.344 1.348 1.132 1.00 11.25 H new ATOM 0 HG2 LYS A 111 -11.717 2.982 1.037 1.00 50.33 H new ATOM 0 HG3 LYS A 111 -10.938 1.829 2.103 1.00 50.33 H new ATOM 0 HD2 LYS A 111 -9.284 1.412 0.616 1.00 24.23 H new ATOM 0 HD3 LYS A 111 -10.415 1.191 -0.705 1.00 24.23 H new ATOM 0 HE2 LYS A 111 -9.979 3.993 0.274 1.00 53.42 H new ATOM 0 HE3 LYS A 111 -8.668 3.242 -0.614 1.00 53.42 H new ATOM 0 HZ1 LYS A 111 -10.151 4.441 -2.086 1.00 73.14 H new ATOM 0 HZ2 LYS A 111 -10.205 2.780 -2.436 1.00 73.14 H new ATOM 0 HZ3 LYS A 111 -11.475 3.508 -1.575 1.00 73.14 H new ATOM 1650 N VAL A 112 -10.129 -1.751 1.609 1.00 25.22 N ATOM 1651 CA VAL A 112 -8.927 -2.424 1.131 1.00 70.52 C ATOM 1652 C VAL A 112 -9.056 -2.802 -0.339 1.00 63.11 C ATOM 1653 O VAL A 112 -10.078 -3.343 -0.765 1.00 52.11 O ATOM 1654 CB VAL A 112 -8.631 -3.694 1.953 1.00 40.24 C ATOM 1655 CG1 VAL A 112 -8.877 -3.443 3.432 1.00 53.13 C ATOM 1656 CG2 VAL A 112 -9.472 -4.859 1.453 1.00 73.45 C ATOM 0 H VAL A 112 -10.304 -1.859 2.608 1.00 25.22 H new ATOM 0 HA VAL A 112 -8.102 -1.722 1.251 1.00 70.52 H new ATOM 0 HB VAL A 112 -7.580 -3.953 1.824 1.00 40.24 H new ATOM 0 HG11 VAL A 112 -8.663 -4.351 3.996 1.00 53.13 H new ATOM 0 HG12 VAL A 112 -8.227 -2.639 3.778 1.00 53.13 H new ATOM 0 HG13 VAL A 112 -9.918 -3.159 3.585 1.00 53.13 H new ATOM 0 HG21 VAL A 112 -9.251 -5.748 2.044 1.00 73.45 H new ATOM 0 HG22 VAL A 112 -10.529 -4.613 1.550 1.00 73.45 H new ATOM 0 HG23 VAL A 112 -9.239 -5.053 0.406 1.00 73.45 H new ATOM 1666 N PHE A 113 -8.014 -2.516 -1.112 1.00 74.01 N ATOM 1667 CA PHE A 113 -8.010 -2.826 -2.537 1.00 54.01 C ATOM 1668 C PHE A 113 -7.933 -4.333 -2.766 1.00 55.51 C ATOM 1669 O PHE A 113 -6.943 -4.972 -2.415 1.00 25.35 O ATOM 1670 CB PHE A 113 -6.835 -2.132 -3.228 1.00 12.53 C ATOM 1671 CG PHE A 113 -7.090 -0.685 -3.539 1.00 40.11 C ATOM 1672 CD1 PHE A 113 -7.136 0.257 -2.525 1.00 40.43 C ATOM 1673 CD2 PHE A 113 -7.285 -0.268 -4.846 1.00 62.13 C ATOM 1674 CE1 PHE A 113 -7.372 1.590 -2.809 1.00 22.43 C ATOM 1675 CE2 PHE A 113 -7.521 1.063 -5.136 1.00 72.44 C ATOM 1676 CZ PHE A 113 -7.564 1.993 -4.116 1.00 73.31 C ATOM 0 H PHE A 113 -7.161 -2.070 -0.775 1.00 74.01 H new ATOM 0 HA PHE A 113 -8.942 -2.459 -2.966 1.00 54.01 H new ATOM 0 HB2 PHE A 113 -5.953 -2.208 -2.591 1.00 12.53 H new ATOM 0 HB3 PHE A 113 -6.606 -2.659 -4.154 1.00 12.53 H new ATOM 0 HD1 PHE A 113 -6.986 -0.053 -1.501 1.00 40.43 H new ATOM 0 HD2 PHE A 113 -7.252 -0.991 -5.647 1.00 62.13 H new ATOM 0 HE1 PHE A 113 -7.406 2.315 -2.009 1.00 22.43 H new ATOM 0 HE2 PHE A 113 -7.672 1.375 -6.159 1.00 72.44 H new ATOM 0 HZ PHE A 113 -7.747 3.033 -4.340 1.00 73.31 H new ATOM 1685 N GLN A 114 -8.986 -4.890 -3.356 1.00 54.31 N ATOM 1686 CA GLN A 114 -9.038 -6.321 -3.631 1.00 11.43 C ATOM 1687 C GLN A 114 -8.896 -6.593 -5.125 1.00 4.02 C ATOM 1688 O GLN A 114 -9.457 -5.877 -5.953 1.00 21.50 O ATOM 1689 CB GLN A 114 -10.349 -6.913 -3.114 1.00 70.24 C ATOM 1690 CG GLN A 114 -10.576 -8.355 -3.542 1.00 74.11 C ATOM 1691 CD GLN A 114 -11.777 -8.510 -4.453 1.00 63.30 C ATOM 1692 OE1 GLN A 114 -11.927 -7.590 -5.400 1.00 3.30 O flip ATOM 1693 NE2 GLN A 114 -12.563 -9.448 -4.308 1.00 33.44 N flip ATOM 0 H GLN A 114 -9.814 -4.373 -3.652 1.00 54.31 H new ATOM 0 HA GLN A 114 -8.205 -6.796 -3.113 1.00 11.43 H new ATOM 0 HB2 GLN A 114 -10.358 -6.860 -2.025 1.00 70.24 H new ATOM 0 HB3 GLN A 114 -11.179 -6.302 -3.469 1.00 70.24 H new ATOM 0 HG2 GLN A 114 -9.687 -8.723 -4.054 1.00 74.11 H new ATOM 0 HG3 GLN A 114 -10.714 -8.976 -2.657 1.00 74.11 H new ATOM 0 HE21 GLN A 114 -12.410 -10.132 -3.567 1.00 33.44 H new ATOM 0 HE22 GLN A 114 -13.367 -9.540 -4.929 1.00 33.44 H new ATOM 1700 N GLY A 115 -8.142 -7.635 -5.462 1.00 4.43 N ATOM 1701 CA GLY A 115 -7.939 -7.984 -6.856 1.00 71.01 C ATOM 1702 C GLY A 115 -6.639 -7.434 -7.410 1.00 34.31 C ATOM 1703 O GLY A 115 -6.242 -6.316 -7.082 1.00 61.50 O ATOM 0 H GLY A 115 -7.668 -8.244 -4.795 1.00 4.43 H new ATOM 0 HA2 GLY A 115 -7.944 -9.069 -6.960 1.00 71.01 H new ATOM 0 HA3 GLY A 115 -8.772 -7.603 -7.447 1.00 71.01 H new ATOM 1707 N ASN A 116 -5.975 -8.221 -8.248 1.00 24.15 N ATOM 1708 CA ASN A 116 -4.710 -7.807 -8.846 1.00 13.11 C ATOM 1709 C ASN A 116 -4.586 -8.331 -10.273 1.00 4.52 C ATOM 1710 O ASN A 116 -5.334 -9.218 -10.689 1.00 73.14 O ATOM 1711 CB ASN A 116 -3.536 -8.308 -8.003 1.00 53.32 C ATOM 1712 CG ASN A 116 -2.223 -7.661 -8.399 1.00 74.00 C ATOM 1713 OD1 ASN A 116 -2.105 -6.436 -8.426 1.00 75.01 O ATOM 1714 ND2 ASN A 116 -1.228 -8.483 -8.710 1.00 23.33 N ATOM 0 H ASN A 116 -6.291 -9.149 -8.529 1.00 24.15 H new ATOM 0 HA ASN A 116 -4.689 -6.718 -8.875 1.00 13.11 H new ATOM 0 HB2 ASN A 116 -3.735 -8.105 -6.951 1.00 53.32 H new ATOM 0 HB3 ASN A 116 -3.452 -9.390 -8.109 1.00 53.32 H new ATOM 0 HD21 ASN A 116 -0.321 -8.105 -8.985 1.00 23.33 H new ATOM 0 HD22 ASN A 116 -1.370 -9.492 -8.674 1.00 23.33 H new ATOM 1720 N LEU A 117 -3.637 -7.778 -11.021 1.00 35.41 N ATOM 1721 CA LEU A 117 -3.413 -8.189 -12.402 1.00 24.43 C ATOM 1722 C LEU A 117 -2.301 -9.230 -12.487 1.00 54.23 C ATOM 1723 O LEU A 117 -1.604 -9.327 -13.497 1.00 21.32 O ATOM 1724 CB LEU A 117 -3.060 -6.976 -13.264 1.00 2.24 C ATOM 1725 CG LEU A 117 -4.112 -5.870 -13.331 1.00 74.45 C ATOM 1726 CD1 LEU A 117 -3.696 -4.796 -14.324 1.00 61.13 C ATOM 1727 CD2 LEU A 117 -5.470 -6.448 -13.705 1.00 71.42 C ATOM 0 H LEU A 117 -3.010 -7.043 -10.693 1.00 35.41 H new ATOM 0 HA LEU A 117 -4.333 -8.637 -12.776 1.00 24.43 H new ATOM 0 HB2 LEU A 117 -2.133 -6.545 -12.887 1.00 2.24 H new ATOM 0 HB3 LEU A 117 -2.861 -7.322 -14.278 1.00 2.24 H new ATOM 0 HG LEU A 117 -4.193 -5.412 -12.345 1.00 74.45 H new ATOM 0 HD11 LEU A 117 -4.458 -4.017 -14.358 1.00 61.13 H new ATOM 0 HD12 LEU A 117 -2.746 -4.361 -14.013 1.00 61.13 H new ATOM 0 HD13 LEU A 117 -3.586 -5.239 -15.314 1.00 61.13 H new ATOM 0 HD21 LEU A 117 -6.207 -5.646 -13.748 1.00 71.42 H new ATOM 0 HD22 LEU A 117 -5.403 -6.933 -14.679 1.00 71.42 H new ATOM 0 HD23 LEU A 117 -5.773 -7.180 -12.956 1.00 71.42 H new ATOM 1738 N ASP A 118 -2.143 -10.007 -11.421 1.00 12.15 N ATOM 1739 CA ASP A 118 -1.117 -11.043 -11.376 1.00 50.23 C ATOM 1740 C ASP A 118 0.278 -10.430 -11.443 1.00 2.34 C ATOM 1741 O ASP A 118 0.441 -9.218 -11.315 1.00 35.31 O ATOM 1742 CB ASP A 118 -1.310 -12.031 -12.527 1.00 1.31 C ATOM 1743 CG ASP A 118 -2.755 -12.459 -12.688 1.00 21.40 C ATOM 1744 OD1 ASP A 118 -3.289 -13.103 -11.759 1.00 4.22 O ATOM 1745 OD2 ASP A 118 -3.352 -12.151 -13.740 1.00 13.14 O ATOM 0 H ASP A 118 -2.712 -9.939 -10.577 1.00 12.15 H new ATOM 0 HA ASP A 118 -1.214 -11.576 -10.430 1.00 50.23 H new ATOM 0 HB2 ASP A 118 -0.964 -11.575 -13.455 1.00 1.31 H new ATOM 0 HB3 ASP A 118 -0.691 -12.911 -12.354 1.00 1.31 H new ATOM 1749 N ASN A 119 1.282 -11.278 -11.644 1.00 33.45 N ATOM 1750 CA ASN A 119 2.664 -10.820 -11.725 1.00 1.41 C ATOM 1751 C ASN A 119 3.021 -10.420 -13.153 1.00 43.03 C ATOM 1752 O ASN A 119 4.144 -10.002 -13.429 1.00 1.23 O ATOM 1753 CB ASN A 119 3.616 -11.914 -11.238 1.00 0.24 C ATOM 1754 CG ASN A 119 4.108 -12.798 -12.367 1.00 51.01 C ATOM 1755 OD1 ASN A 119 3.418 -13.727 -12.788 1.00 4.43 O ATOM 1756 ND2 ASN A 119 5.306 -12.512 -12.864 1.00 23.32 N ATOM 0 H ASN A 119 1.164 -12.285 -11.754 1.00 33.45 H new ATOM 0 HA ASN A 119 2.768 -9.945 -11.083 1.00 1.41 H new ATOM 0 HB2 ASN A 119 4.471 -11.454 -10.742 1.00 0.24 H new ATOM 0 HB3 ASN A 119 3.109 -12.528 -10.494 1.00 0.24 H new ATOM 0 HD21 ASN A 119 5.689 -13.072 -13.626 1.00 23.32 H new ATOM 0 HD22 ASN A 119 5.843 -11.732 -12.484 1.00 23.32 H new ATOM 1762 N ASN A 120 2.055 -10.550 -14.058 1.00 21.21 N ATOM 1763 CA ASN A 120 2.267 -10.202 -15.458 1.00 21.31 C ATOM 1764 C ASN A 120 2.134 -8.697 -15.670 1.00 44.23 C ATOM 1765 O ASN A 120 2.956 -8.080 -16.346 1.00 44.50 O ATOM 1766 CB ASN A 120 1.267 -10.945 -16.346 1.00 54.02 C ATOM 1767 CG ASN A 120 1.733 -12.344 -16.696 1.00 24.23 C ATOM 1768 OD1 ASN A 120 2.866 -12.542 -17.135 1.00 4.31 O ATOM 1769 ND2 ASN A 120 0.859 -13.326 -16.500 1.00 53.54 N ATOM 0 H ASN A 120 1.118 -10.894 -13.846 1.00 21.21 H new ATOM 0 HA ASN A 120 3.278 -10.501 -15.733 1.00 21.31 H new ATOM 0 HB2 ASN A 120 0.305 -11.002 -15.836 1.00 54.02 H new ATOM 0 HB3 ASN A 120 1.108 -10.378 -17.263 1.00 54.02 H new ATOM 0 HD21 ASN A 120 1.117 -14.289 -16.715 1.00 53.54 H new ATOM 0 HD22 ASN A 120 -0.070 -13.117 -16.134 1.00 53.54 H new ATOM 1775 N SER A 121 1.091 -8.113 -15.088 1.00 32.13 N ATOM 1776 CA SER A 121 0.848 -6.681 -15.216 1.00 30.41 C ATOM 1777 C SER A 121 0.708 -6.029 -13.843 1.00 41.12 C ATOM 1778 O SER A 121 0.393 -6.695 -12.856 1.00 75.43 O ATOM 1779 CB SER A 121 -0.414 -6.429 -16.044 1.00 1.12 C ATOM 1780 OG SER A 121 -0.971 -7.646 -16.507 1.00 21.02 O ATOM 0 H SER A 121 0.401 -8.609 -14.524 1.00 32.13 H new ATOM 0 HA SER A 121 1.703 -6.236 -15.725 1.00 30.41 H new ATOM 0 HB2 SER A 121 -1.148 -5.896 -15.440 1.00 1.12 H new ATOM 0 HB3 SER A 121 -0.174 -5.789 -16.893 1.00 1.12 H new ATOM 0 HG SER A 121 -1.777 -7.458 -17.032 1.00 21.02 H new ATOM 1785 N HIS A 122 0.943 -4.722 -13.789 1.00 0.03 N ATOM 1786 CA HIS A 122 0.842 -3.978 -12.538 1.00 0.32 C ATOM 1787 C HIS A 122 -0.442 -3.156 -12.496 1.00 12.40 C ATOM 1788 O HIS A 122 -1.058 -2.894 -13.530 1.00 21.31 O ATOM 1789 CB HIS A 122 2.054 -3.062 -12.367 1.00 13.31 C ATOM 1790 CG HIS A 122 2.156 -2.001 -13.419 1.00 12.51 C ATOM 1791 ND1 HIS A 122 1.274 -1.899 -14.474 1.00 72.44 N ATOM 1792 CD2 HIS A 122 3.044 -0.990 -13.575 1.00 61.33 C ATOM 1793 CE1 HIS A 122 1.614 -0.874 -15.233 1.00 52.22 C ATOM 1794 NE2 HIS A 122 2.686 -0.304 -14.709 1.00 63.44 N ATOM 0 H HIS A 122 1.205 -4.156 -14.596 1.00 0.03 H new ATOM 0 HA HIS A 122 0.819 -4.696 -11.718 1.00 0.32 H new ATOM 0 HB2 HIS A 122 2.005 -2.587 -11.387 1.00 13.31 H new ATOM 0 HB3 HIS A 122 2.961 -3.666 -12.383 1.00 13.31 H new ATOM 0 HD1 HIS A 122 0.482 -2.519 -14.642 1.00 72.44 H new ATOM 0 HD2 HIS A 122 3.879 -0.765 -12.927 1.00 61.33 H new ATOM 0 HE1 HIS A 122 1.103 -0.555 -16.130 1.00 52.22 H new ATOM 1801 N LYS A 123 -0.842 -2.753 -11.296 1.00 15.13 N ATOM 1802 CA LYS A 123 -2.053 -1.960 -11.118 1.00 22.12 C ATOM 1803 C LYS A 123 -2.338 -1.728 -9.638 1.00 64.33 C ATOM 1804 O LYS A 123 -1.779 -2.403 -8.774 1.00 73.53 O ATOM 1805 CB LYS A 123 -3.245 -2.659 -11.775 1.00 54.04 C ATOM 1806 CG LYS A 123 -3.846 -1.877 -12.930 1.00 44.20 C ATOM 1807 CD LYS A 123 -5.359 -2.011 -12.967 1.00 25.20 C ATOM 1808 CE LYS A 123 -5.936 -1.468 -14.266 1.00 35.42 C ATOM 1809 NZ LYS A 123 -6.658 -0.183 -14.057 1.00 70.02 N ATOM 0 H LYS A 123 -0.345 -2.962 -10.430 1.00 15.13 H new ATOM 0 HA LYS A 123 -1.898 -0.993 -11.596 1.00 22.12 H new ATOM 0 HB2 LYS A 123 -2.928 -3.638 -12.135 1.00 54.04 H new ATOM 0 HB3 LYS A 123 -4.015 -2.830 -11.023 1.00 54.04 H new ATOM 0 HG2 LYS A 123 -3.575 -0.825 -12.838 1.00 44.20 H new ATOM 0 HG3 LYS A 123 -3.425 -2.234 -13.870 1.00 44.20 H new ATOM 0 HD2 LYS A 123 -5.635 -3.060 -12.855 1.00 25.20 H new ATOM 0 HD3 LYS A 123 -5.793 -1.475 -12.123 1.00 25.20 H new ATOM 0 HE2 LYS A 123 -5.132 -1.320 -14.987 1.00 35.42 H new ATOM 0 HE3 LYS A 123 -6.618 -2.202 -14.696 1.00 35.42 H new ATOM 0 HZ1 LYS A 123 -7.036 0.154 -14.965 1.00 70.02 H new ATOM 0 HZ2 LYS A 123 -7.441 -0.330 -13.389 1.00 70.02 H new ATOM 0 HZ3 LYS A 123 -6.002 0.525 -13.671 1.00 70.02 H new ATOM 1819 N LYS A 124 -3.214 -0.770 -9.352 1.00 61.43 N ATOM 1820 CA LYS A 124 -3.578 -0.451 -7.977 1.00 55.22 C ATOM 1821 C LYS A 124 -4.660 0.624 -7.935 1.00 4.33 C ATOM 1822 O LYS A 124 -5.795 0.359 -7.542 1.00 41.23 O ATOM 1823 CB LYS A 124 -2.347 0.022 -7.199 1.00 34.25 C ATOM 1824 CG LYS A 124 -2.445 -0.218 -5.702 1.00 3.40 C ATOM 1825 CD LYS A 124 -2.393 -1.700 -5.370 1.00 0.35 C ATOM 1826 CE LYS A 124 -3.751 -2.221 -4.929 1.00 74.43 C ATOM 1827 NZ LYS A 124 -3.626 -3.321 -3.932 1.00 51.34 N ATOM 0 H LYS A 124 -3.685 -0.201 -10.055 1.00 61.43 H new ATOM 0 HA LYS A 124 -3.970 -1.356 -7.513 1.00 55.22 H new ATOM 0 HB2 LYS A 124 -1.465 -0.490 -7.584 1.00 34.25 H new ATOM 0 HB3 LYS A 124 -2.201 1.087 -7.379 1.00 34.25 H new ATOM 0 HG2 LYS A 124 -1.629 0.298 -5.196 1.00 3.40 H new ATOM 0 HG3 LYS A 124 -3.375 0.208 -5.324 1.00 3.40 H new ATOM 0 HD2 LYS A 124 -2.054 -2.258 -6.243 1.00 0.35 H new ATOM 0 HD3 LYS A 124 -1.662 -1.871 -4.579 1.00 0.35 H new ATOM 0 HE2 LYS A 124 -4.331 -1.405 -4.498 1.00 74.43 H new ATOM 0 HE3 LYS A 124 -4.302 -2.580 -5.798 1.00 74.43 H new ATOM 0 HZ1 LYS A 124 -4.574 -3.649 -3.656 1.00 51.34 H new ATOM 0 HZ2 LYS A 124 -3.095 -4.111 -4.351 1.00 51.34 H new ATOM 0 HZ3 LYS A 124 -3.122 -2.972 -3.092 1.00 51.34 H new ATOM 1837 N ASN A 125 -4.301 1.836 -8.345 1.00 61.10 N ATOM 1838 CA ASN A 125 -5.242 2.950 -8.356 1.00 64.44 C ATOM 1839 C ASN A 125 -4.608 4.193 -8.972 1.00 72.41 C ATOM 1840 O ASN A 125 -3.385 4.288 -9.082 1.00 45.11 O ATOM 1841 CB ASN A 125 -5.717 3.257 -6.934 1.00 63.23 C ATOM 1842 CG ASN A 125 -7.166 3.704 -6.893 1.00 32.52 C ATOM 1843 OD1 ASN A 125 -8.020 3.143 -7.579 1.00 22.51 O ATOM 1844 ND2 ASN A 125 -7.448 4.719 -6.084 1.00 42.54 N ATOM 0 H ASN A 125 -3.365 2.072 -8.674 1.00 61.10 H new ATOM 0 HA ASN A 125 -6.099 2.663 -8.965 1.00 64.44 H new ATOM 0 HB2 ASN A 125 -5.596 2.369 -6.314 1.00 63.23 H new ATOM 0 HB3 ASN A 125 -5.087 4.035 -6.503 1.00 63.23 H new ATOM 0 HD21 ASN A 125 -8.405 5.064 -6.013 1.00 42.54 H new ATOM 0 HD22 ASN A 125 -6.707 5.154 -5.534 1.00 42.54 H new ATOM 1850 N ILE A 126 -5.447 5.143 -9.371 1.00 31.35 N ATOM 1851 CA ILE A 126 -4.968 6.380 -9.974 1.00 75.13 C ATOM 1852 C ILE A 126 -4.833 7.484 -8.930 1.00 21.43 C ATOM 1853 O ILE A 126 -4.874 7.223 -7.727 1.00 53.44 O ATOM 1854 CB ILE A 126 -5.909 6.862 -11.094 1.00 70.34 C ATOM 1855 CG1 ILE A 126 -6.808 5.715 -11.563 1.00 1.35 C ATOM 1856 CG2 ILE A 126 -5.104 7.422 -12.258 1.00 23.44 C ATOM 1857 CD1 ILE A 126 -7.617 6.048 -12.796 1.00 45.12 C ATOM 0 H ILE A 126 -6.462 5.079 -9.287 1.00 31.35 H new ATOM 0 HA ILE A 126 -3.989 6.164 -10.401 1.00 75.13 H new ATOM 0 HB ILE A 126 -6.542 7.657 -10.700 1.00 70.34 H new ATOM 0 HG12 ILE A 126 -6.190 4.841 -11.769 1.00 1.35 H new ATOM 0 HG13 ILE A 126 -7.487 5.443 -10.755 1.00 1.35 H new ATOM 0 HG21 ILE A 126 -5.783 7.758 -13.041 1.00 23.44 H new ATOM 0 HG22 ILE A 126 -4.503 8.263 -11.913 1.00 23.44 H new ATOM 0 HG23 ILE A 126 -4.449 6.646 -12.654 1.00 23.44 H new ATOM 0 HD11 ILE A 126 -8.230 5.190 -13.071 1.00 45.12 H new ATOM 0 HD12 ILE A 126 -8.261 6.903 -12.589 1.00 45.12 H new ATOM 0 HD13 ILE A 126 -6.944 6.291 -13.618 1.00 45.12 H new ATOM 1868 N PHE A 127 -4.672 8.717 -9.398 1.00 62.40 N ATOM 1869 CA PHE A 127 -4.532 9.861 -8.506 1.00 75.12 C ATOM 1870 C PHE A 127 -5.574 9.815 -7.392 1.00 43.22 C ATOM 1871 O PHE A 127 -5.245 9.941 -6.213 1.00 2.35 O ATOM 1872 CB PHE A 127 -4.667 11.168 -9.291 1.00 32.44 C ATOM 1873 CG PHE A 127 -5.910 11.237 -10.131 1.00 2.14 C ATOM 1874 CD1 PHE A 127 -5.948 10.647 -11.384 1.00 53.13 C ATOM 1875 CD2 PHE A 127 -7.039 11.890 -9.667 1.00 62.24 C ATOM 1876 CE1 PHE A 127 -7.091 10.710 -12.159 1.00 40.44 C ATOM 1877 CE2 PHE A 127 -8.186 11.955 -10.437 1.00 14.44 C ATOM 1878 CZ PHE A 127 -8.211 11.364 -11.685 1.00 21.13 C ATOM 0 H PHE A 127 -4.635 8.949 -10.391 1.00 62.40 H new ATOM 0 HA PHE A 127 -3.541 9.817 -8.055 1.00 75.12 H new ATOM 0 HB2 PHE A 127 -4.664 12.004 -8.592 1.00 32.44 H new ATOM 0 HB3 PHE A 127 -3.796 11.287 -9.935 1.00 32.44 H new ATOM 0 HD1 PHE A 127 -5.076 10.133 -11.759 1.00 53.13 H new ATOM 0 HD2 PHE A 127 -7.024 12.354 -8.692 1.00 62.24 H new ATOM 0 HE1 PHE A 127 -7.108 10.248 -13.135 1.00 40.44 H new ATOM 0 HE2 PHE A 127 -9.060 12.467 -10.063 1.00 14.44 H new ATOM 0 HZ PHE A 127 -9.105 11.413 -12.289 1.00 21.13 H new ATOM 1887 N GLU A 128 -6.834 9.632 -7.777 1.00 33.41 N ATOM 1888 CA GLU A 128 -7.926 9.569 -6.812 1.00 13.40 C ATOM 1889 C GLU A 128 -7.883 10.766 -5.865 1.00 32.03 C ATOM 1890 O GLU A 128 -8.586 11.757 -6.066 1.00 33.14 O ATOM 1891 CB GLU A 128 -7.853 8.268 -6.010 1.00 43.40 C ATOM 1892 CG GLU A 128 -8.844 8.207 -4.860 1.00 22.41 C ATOM 1893 CD GLU A 128 -10.233 8.665 -5.261 1.00 54.02 C ATOM 1894 OE1 GLU A 128 -10.669 8.323 -6.380 1.00 54.54 O ATOM 1895 OE2 GLU A 128 -10.882 9.365 -4.456 1.00 42.22 O ATOM 0 H GLU A 128 -7.123 9.525 -8.749 1.00 33.41 H new ATOM 0 HA GLU A 128 -8.866 9.595 -7.363 1.00 13.40 H new ATOM 0 HB2 GLU A 128 -8.034 7.427 -6.680 1.00 43.40 H new ATOM 0 HB3 GLU A 128 -6.844 8.150 -5.616 1.00 43.40 H new ATOM 0 HG2 GLU A 128 -8.897 7.185 -4.485 1.00 22.41 H new ATOM 0 HG3 GLU A 128 -8.483 8.829 -4.041 1.00 22.41 H new ATOM 1900 N LYS A 129 -7.055 10.666 -4.832 1.00 32.15 N ATOM 1901 CA LYS A 129 -6.918 11.738 -3.852 1.00 24.12 C ATOM 1902 C LYS A 129 -5.449 12.032 -3.567 1.00 3.22 C ATOM 1903 O LYS A 129 -4.869 11.539 -2.600 1.00 14.22 O ATOM 1904 CB LYS A 129 -7.635 11.364 -2.553 1.00 44.32 C ATOM 1905 CG LYS A 129 -9.129 11.638 -2.583 1.00 23.40 C ATOM 1906 CD LYS A 129 -9.751 11.487 -1.205 1.00 60.24 C ATOM 1907 CE LYS A 129 -11.182 10.978 -1.292 1.00 72.01 C ATOM 1908 NZ LYS A 129 -12.042 11.878 -2.110 1.00 22.14 N ATOM 0 H LYS A 129 -6.467 9.852 -4.651 1.00 32.15 H new ATOM 0 HA LYS A 129 -7.376 12.636 -4.268 1.00 24.12 H new ATOM 0 HB2 LYS A 129 -7.472 10.306 -2.350 1.00 44.32 H new ATOM 0 HB3 LYS A 129 -7.189 11.920 -1.728 1.00 44.32 H new ATOM 0 HG2 LYS A 129 -9.307 12.647 -2.955 1.00 23.40 H new ATOM 0 HG3 LYS A 129 -9.612 10.952 -3.278 1.00 23.40 H new ATOM 0 HD2 LYS A 129 -9.154 10.797 -0.609 1.00 60.24 H new ATOM 0 HD3 LYS A 129 -9.736 12.448 -0.691 1.00 60.24 H new ATOM 0 HE2 LYS A 129 -11.186 9.978 -1.726 1.00 72.01 H new ATOM 0 HE3 LYS A 129 -11.598 10.891 -0.288 1.00 72.01 H new ATOM 0 HZ1 LYS A 129 -13.034 11.574 -2.035 1.00 22.14 H new ATOM 0 HZ2 LYS A 129 -11.952 12.854 -1.763 1.00 22.14 H new ATOM 0 HZ3 LYS A 129 -11.742 11.835 -3.105 1.00 22.14 H new ATOM 1918 N PRO A 130 -4.831 12.853 -4.429 1.00 15.00 N ATOM 1919 CA PRO A 130 -3.422 13.233 -4.289 1.00 24.14 C ATOM 1920 C PRO A 130 -3.183 14.147 -3.093 1.00 33.41 C ATOM 1921 O PRO A 130 -4.086 14.860 -2.654 1.00 54.12 O ATOM 1922 CB PRO A 130 -3.122 13.972 -5.596 1.00 75.22 C ATOM 1923 CG PRO A 130 -4.443 14.491 -6.048 1.00 51.23 C ATOM 1924 CD PRO A 130 -5.461 13.477 -5.604 1.00 11.54 C ATOM 0 HA PRO A 130 -2.782 12.368 -4.116 1.00 24.14 H new ATOM 0 HB2 PRO A 130 -2.411 14.783 -5.438 1.00 75.22 H new ATOM 0 HB3 PRO A 130 -2.684 13.304 -6.337 1.00 75.22 H new ATOM 0 HG2 PRO A 130 -4.649 15.468 -5.610 1.00 51.23 H new ATOM 0 HG3 PRO A 130 -4.463 14.616 -7.131 1.00 51.23 H new ATOM 0 HD2 PRO A 130 -6.411 13.947 -5.349 1.00 11.54 H new ATOM 0 HD3 PRO A 130 -5.667 12.746 -6.385 1.00 11.54 H new ATOM 1929 N PHE A 131 -1.962 14.122 -2.569 1.00 21.11 N ATOM 1930 CA PHE A 131 -1.605 14.949 -1.421 1.00 44.41 C ATOM 1931 C PHE A 131 -0.175 14.666 -0.970 1.00 62.11 C ATOM 1932 O PHE A 131 0.427 13.671 -1.373 1.00 13.45 O ATOM 1933 CB PHE A 131 -2.576 14.701 -0.265 1.00 23.22 C ATOM 1934 CG PHE A 131 -3.492 15.858 0.008 1.00 73.24 C ATOM 1935 CD1 PHE A 131 -2.980 17.127 0.231 1.00 41.34 C ATOM 1936 CD2 PHE A 131 -4.866 15.680 0.043 1.00 24.35 C ATOM 1937 CE1 PHE A 131 -3.821 18.194 0.482 1.00 54.32 C ATOM 1938 CE2 PHE A 131 -5.711 16.743 0.293 1.00 73.20 C ATOM 1939 CZ PHE A 131 -5.189 18.003 0.514 1.00 12.14 C ATOM 0 H PHE A 131 -1.203 13.538 -2.921 1.00 21.11 H new ATOM 0 HA PHE A 131 -1.671 15.994 -1.723 1.00 44.41 H new ATOM 0 HB2 PHE A 131 -3.175 13.818 -0.488 1.00 23.22 H new ATOM 0 HB3 PHE A 131 -2.005 14.479 0.637 1.00 23.22 H new ATOM 0 HD1 PHE A 131 -1.912 17.283 0.208 1.00 41.34 H new ATOM 0 HD2 PHE A 131 -5.281 14.698 -0.127 1.00 24.35 H new ATOM 0 HE1 PHE A 131 -3.409 19.178 0.653 1.00 54.32 H new ATOM 0 HE2 PHE A 131 -6.780 16.590 0.316 1.00 73.20 H new ATOM 0 HZ PHE A 131 -5.848 18.836 0.711 1.00 12.14 H new ATOM 1948 N MET A 132 0.360 15.548 -0.133 1.00 42.34 N ATOM 1949 CA MET A 132 1.719 15.393 0.373 1.00 20.31 C ATOM 1950 C MET A 132 1.829 14.162 1.268 1.00 65.24 C ATOM 1951 O MET A 132 0.851 13.747 1.890 1.00 54.13 O ATOM 1952 CB MET A 132 2.143 16.641 1.150 1.00 64.25 C ATOM 1953 CG MET A 132 2.516 17.813 0.258 1.00 50.44 C ATOM 1954 SD MET A 132 1.612 19.317 0.672 1.00 42.34 S ATOM 1955 CE MET A 132 1.025 19.817 -0.945 1.00 1.24 C ATOM 0 H MET A 132 -0.126 16.377 0.209 1.00 42.34 H new ATOM 0 HA MET A 132 2.384 15.261 -0.480 1.00 20.31 H new ATOM 0 HB2 MET A 132 1.330 16.942 1.810 1.00 64.25 H new ATOM 0 HB3 MET A 132 2.994 16.393 1.785 1.00 64.25 H new ATOM 0 HG2 MET A 132 3.586 18.002 0.342 1.00 50.44 H new ATOM 0 HG3 MET A 132 2.320 17.550 -0.781 1.00 50.44 H new ATOM 0 HE1 MET A 132 0.446 20.736 -0.854 1.00 1.24 H new ATOM 0 HE2 MET A 132 1.876 19.988 -1.604 1.00 1.24 H new ATOM 0 HE3 MET A 132 0.395 19.031 -1.362 1.00 1.24 H new ATOM 1963 N ALA A 133 3.023 13.582 1.327 1.00 52.45 N ATOM 1964 CA ALA A 133 3.260 12.401 2.146 1.00 53.04 C ATOM 1965 C ALA A 133 4.745 12.227 2.443 1.00 74.32 C ATOM 1966 O ALA A 133 5.597 12.578 1.626 1.00 53.23 O ATOM 1967 CB ALA A 133 2.709 11.162 1.457 1.00 45.45 C ATOM 0 H ALA A 133 3.842 13.912 0.816 1.00 52.45 H new ATOM 0 HA ALA A 133 2.741 12.537 3.095 1.00 53.04 H new ATOM 0 HB1 ALA A 133 2.893 10.287 2.080 1.00 45.45 H new ATOM 0 HB2 ALA A 133 1.636 11.278 1.303 1.00 45.45 H new ATOM 0 HB3 ALA A 133 3.202 11.032 0.494 1.00 45.45 H new ATOM 1973 N ARG A 134 5.050 11.685 3.617 1.00 62.33 N ATOM 1974 CA ARG A 134 6.433 11.466 4.023 1.00 44.44 C ATOM 1975 C ARG A 134 6.716 9.979 4.211 1.00 34.02 C ATOM 1976 O ARG A 134 7.863 9.540 4.128 1.00 0.24 O ATOM 1977 CB ARG A 134 6.732 12.222 5.318 1.00 23.52 C ATOM 1978 CG ARG A 134 5.962 11.699 6.520 1.00 23.45 C ATOM 1979 CD ARG A 134 6.729 11.922 7.814 1.00 32.13 C ATOM 1980 NE ARG A 134 7.959 11.136 7.864 1.00 12.43 N ATOM 1981 CZ ARG A 134 8.788 11.133 8.903 1.00 63.11 C ATOM 1982 NH1 ARG A 134 8.519 11.870 9.971 1.00 33.43 N ATOM 1983 NH2 ARG A 134 9.887 10.391 8.874 1.00 23.04 N ATOM 0 H ARG A 134 4.357 11.389 4.305 1.00 62.33 H new ATOM 0 HA ARG A 134 7.082 11.843 3.232 1.00 44.44 H new ATOM 0 HB2 ARG A 134 7.800 12.160 5.526 1.00 23.52 H new ATOM 0 HB3 ARG A 134 6.495 13.276 5.176 1.00 23.52 H new ATOM 0 HG2 ARG A 134 4.995 12.198 6.579 1.00 23.45 H new ATOM 0 HG3 ARG A 134 5.765 10.635 6.392 1.00 23.45 H new ATOM 0 HD2 ARG A 134 6.971 12.980 7.914 1.00 32.13 H new ATOM 0 HD3 ARG A 134 6.096 11.658 8.661 1.00 32.13 H new ATOM 0 HE ARG A 134 8.195 10.558 7.057 1.00 12.43 H new ATOM 0 HH11 ARG A 134 7.674 12.441 9.997 1.00 33.43 H new ATOM 0 HH12 ARG A 134 9.157 11.866 10.767 1.00 33.43 H new ATOM 0 HH21 ARG A 134 10.097 9.822 8.054 1.00 23.04 H new ATOM 0 HH22 ARG A 134 10.522 10.389 9.672 1.00 23.04 H new ATOM 1994 N TYR A 135 5.664 9.209 4.467 1.00 51.22 N ATOM 1995 CA TYR A 135 5.799 7.772 4.670 1.00 10.33 C ATOM 1996 C TYR A 135 4.446 7.076 4.562 1.00 72.14 C ATOM 1997 O TYR A 135 3.478 7.471 5.212 1.00 10.42 O ATOM 1998 CB TYR A 135 6.425 7.486 6.037 1.00 23.00 C ATOM 1999 CG TYR A 135 5.640 6.495 6.866 1.00 61.43 C ATOM 2000 CD1 TYR A 135 5.696 5.133 6.594 1.00 75.32 C ATOM 2001 CD2 TYR A 135 4.842 6.921 7.922 1.00 3.15 C ATOM 2002 CE1 TYR A 135 4.979 4.225 7.350 1.00 10.41 C ATOM 2003 CE2 TYR A 135 4.124 6.019 8.683 1.00 64.12 C ATOM 2004 CZ TYR A 135 4.195 4.672 8.393 1.00 51.13 C ATOM 2005 OH TYR A 135 3.481 3.771 9.148 1.00 4.32 O ATOM 0 H TYR A 135 4.708 9.557 4.539 1.00 51.22 H new ATOM 0 HA TYR A 135 6.451 7.380 3.889 1.00 10.33 H new ATOM 0 HB2 TYR A 135 7.436 7.106 5.892 1.00 23.00 H new ATOM 0 HB3 TYR A 135 6.513 8.421 6.590 1.00 23.00 H new ATOM 0 HD1 TYR A 135 6.310 4.779 5.779 1.00 75.32 H new ATOM 0 HD2 TYR A 135 4.783 7.975 8.151 1.00 3.15 H new ATOM 0 HE1 TYR A 135 5.032 3.170 7.125 1.00 10.41 H new ATOM 0 HE2 TYR A 135 3.510 6.366 9.501 1.00 64.12 H new ATOM 0 HH TYR A 135 2.982 4.249 9.843 1.00 4.32 H new ATOM 2014 N VAL A 136 4.387 6.038 3.734 1.00 31.31 N ATOM 2015 CA VAL A 136 3.154 5.284 3.542 1.00 44.55 C ATOM 2016 C VAL A 136 3.278 3.872 4.101 1.00 41.11 C ATOM 2017 O VAL A 136 4.354 3.274 4.071 1.00 73.23 O ATOM 2018 CB VAL A 136 2.774 5.202 2.050 1.00 35.13 C ATOM 2019 CG1 VAL A 136 2.915 6.563 1.387 1.00 74.31 C ATOM 2020 CG2 VAL A 136 3.630 4.163 1.340 1.00 72.31 C ATOM 0 H VAL A 136 5.178 5.700 3.186 1.00 31.31 H new ATOM 0 HA VAL A 136 2.371 5.816 4.082 1.00 44.55 H new ATOM 0 HB VAL A 136 1.731 4.895 1.975 1.00 35.13 H new ATOM 0 HG11 VAL A 136 2.642 6.485 0.335 1.00 74.31 H new ATOM 0 HG12 VAL A 136 2.257 7.278 1.880 1.00 74.31 H new ATOM 0 HG13 VAL A 136 3.947 6.903 1.470 1.00 74.31 H new ATOM 0 HG21 VAL A 136 3.349 4.118 0.288 1.00 72.31 H new ATOM 0 HG22 VAL A 136 4.681 4.439 1.423 1.00 72.31 H new ATOM 0 HG23 VAL A 136 3.474 3.187 1.800 1.00 72.31 H new ATOM 2030 N ARG A 137 2.171 3.344 4.613 1.00 44.55 N ATOM 2031 CA ARG A 137 2.157 2.002 5.181 1.00 44.24 C ATOM 2032 C ARG A 137 1.064 1.151 4.539 1.00 54.20 C ATOM 2033 O ARG A 137 -0.059 1.615 4.334 1.00 33.24 O ATOM 2034 CB ARG A 137 1.943 2.067 6.694 1.00 50.55 C ATOM 2035 CG ARG A 137 2.161 0.738 7.398 1.00 75.31 C ATOM 2036 CD ARG A 137 1.466 0.704 8.750 1.00 50.05 C ATOM 2037 NE ARG A 137 0.041 0.409 8.625 1.00 32.40 N ATOM 2038 CZ ARG A 137 -0.754 0.167 9.662 1.00 34.34 C ATOM 2039 NH1 ARG A 137 -0.264 0.184 10.894 1.00 71.33 N ATOM 2040 NH2 ARG A 137 -2.040 -0.094 9.468 1.00 72.22 N ATOM 0 H ARG A 137 1.272 3.825 4.646 1.00 44.55 H new ATOM 0 HA ARG A 137 3.122 1.539 4.977 1.00 44.24 H new ATOM 0 HB2 ARG A 137 2.622 2.808 7.117 1.00 50.55 H new ATOM 0 HB3 ARG A 137 0.929 2.412 6.894 1.00 50.55 H new ATOM 0 HG2 ARG A 137 1.784 -0.072 6.773 1.00 75.31 H new ATOM 0 HG3 ARG A 137 3.229 0.567 7.532 1.00 75.31 H new ATOM 0 HD2 ARG A 137 1.938 -0.049 9.382 1.00 50.05 H new ATOM 0 HD3 ARG A 137 1.595 1.665 9.248 1.00 50.05 H new ATOM 0 HE ARG A 137 -0.366 0.388 7.690 1.00 32.40 H new ATOM 0 HH11 ARG A 137 0.725 0.383 11.047 1.00 71.33 H new ATOM 0 HH12 ARG A 137 -0.876 -0.002 11.689 1.00 71.33 H new ATOM 0 HH21 ARG A 137 -2.420 -0.109 8.522 1.00 72.22 H new ATOM 0 HH22 ARG A 137 -2.649 -0.280 10.265 1.00 72.22 H new ATOM 2051 N VAL A 138 1.400 -0.095 4.222 1.00 34.05 N ATOM 2052 CA VAL A 138 0.448 -1.011 3.604 1.00 35.04 C ATOM 2053 C VAL A 138 0.385 -2.331 4.363 1.00 45.10 C ATOM 2054 O VAL A 138 1.365 -2.755 4.976 1.00 24.45 O ATOM 2055 CB VAL A 138 0.813 -1.293 2.135 1.00 15.40 C ATOM 2056 CG1 VAL A 138 0.168 -0.265 1.217 1.00 74.20 C ATOM 2057 CG2 VAL A 138 2.324 -1.305 1.955 1.00 44.35 C ATOM 0 H VAL A 138 2.325 -0.494 4.383 1.00 34.05 H new ATOM 0 HA VAL A 138 -0.528 -0.527 3.641 1.00 35.04 H new ATOM 0 HB VAL A 138 0.429 -2.277 1.866 1.00 15.40 H new ATOM 0 HG11 VAL A 138 0.437 -0.481 0.183 1.00 74.20 H new ATOM 0 HG12 VAL A 138 -0.916 -0.309 1.326 1.00 74.20 H new ATOM 0 HG13 VAL A 138 0.520 0.732 1.483 1.00 74.20 H new ATOM 0 HG21 VAL A 138 2.564 -1.506 0.911 1.00 44.35 H new ATOM 0 HG22 VAL A 138 2.732 -0.336 2.242 1.00 44.35 H new ATOM 0 HG23 VAL A 138 2.759 -2.082 2.583 1.00 44.35 H new ATOM 2067 N LEU A 139 -0.775 -2.978 4.317 1.00 50.13 N ATOM 2068 CA LEU A 139 -0.967 -4.253 5.000 1.00 42.24 C ATOM 2069 C LEU A 139 -1.892 -5.165 4.200 1.00 43.51 C ATOM 2070 O LEU A 139 -3.058 -4.850 3.957 1.00 13.31 O ATOM 2071 CB LEU A 139 -1.544 -4.023 6.397 1.00 33.52 C ATOM 2072 CG LEU A 139 -1.395 -5.183 7.383 1.00 13.11 C ATOM 2073 CD1 LEU A 139 -1.137 -4.659 8.788 1.00 21.24 C ATOM 2074 CD2 LEU A 139 -2.635 -6.065 7.361 1.00 52.20 C ATOM 0 H LEU A 139 -1.596 -2.641 3.814 1.00 50.13 H new ATOM 0 HA LEU A 139 0.004 -4.739 5.090 1.00 42.24 H new ATOM 0 HB2 LEU A 139 -1.064 -3.143 6.826 1.00 33.52 H new ATOM 0 HB3 LEU A 139 -2.604 -3.791 6.297 1.00 33.52 H new ATOM 0 HG LEU A 139 -0.539 -5.786 7.078 1.00 13.11 H new ATOM 0 HD11 LEU A 139 -1.034 -5.498 9.476 1.00 21.24 H new ATOM 0 HD12 LEU A 139 -0.220 -4.070 8.794 1.00 21.24 H new ATOM 0 HD13 LEU A 139 -1.972 -4.033 9.102 1.00 21.24 H new ATOM 0 HD21 LEU A 139 -2.511 -6.885 8.069 1.00 52.20 H new ATOM 0 HD22 LEU A 139 -3.507 -5.474 7.640 1.00 52.20 H new ATOM 0 HD23 LEU A 139 -2.776 -6.469 6.359 1.00 52.20 H new ATOM 2085 N PRO A 140 -1.363 -6.324 3.780 1.00 54.12 N ATOM 2086 CA PRO A 140 -2.124 -7.307 3.004 1.00 51.33 C ATOM 2087 C PRO A 140 -3.207 -7.988 3.833 1.00 71.40 C ATOM 2088 O PRO A 140 -3.016 -8.260 5.019 1.00 3.35 O ATOM 2089 CB PRO A 140 -1.061 -8.321 2.575 1.00 73.02 C ATOM 2090 CG PRO A 140 0.009 -8.206 3.605 1.00 41.32 C ATOM 2091 CD PRO A 140 0.019 -6.764 4.032 1.00 23.12 C ATOM 0 HA PRO A 140 -2.653 -6.846 2.170 1.00 51.33 H new ATOM 0 HB2 PRO A 140 -1.469 -9.331 2.539 1.00 73.02 H new ATOM 0 HB3 PRO A 140 -0.678 -8.096 1.580 1.00 73.02 H new ATOM 0 HG2 PRO A 140 -0.192 -8.862 4.452 1.00 41.32 H new ATOM 0 HG3 PRO A 140 0.976 -8.499 3.197 1.00 41.32 H new ATOM 0 HD2 PRO A 140 0.289 -6.658 5.083 1.00 23.12 H new ATOM 0 HD3 PRO A 140 0.738 -6.180 3.457 1.00 23.12 H new ATOM 2096 N VAL A 141 -4.345 -8.262 3.203 1.00 41.14 N ATOM 2097 CA VAL A 141 -5.458 -8.914 3.882 1.00 75.34 C ATOM 2098 C VAL A 141 -5.766 -10.270 3.259 1.00 10.23 C ATOM 2099 O VAL A 141 -6.151 -11.211 3.952 1.00 2.15 O ATOM 2100 CB VAL A 141 -6.728 -8.043 3.842 1.00 1.11 C ATOM 2101 CG1 VAL A 141 -7.878 -8.743 4.550 1.00 51.42 C ATOM 2102 CG2 VAL A 141 -6.459 -6.681 4.463 1.00 74.03 C ATOM 0 H VAL A 141 -4.520 -8.042 2.222 1.00 41.14 H new ATOM 0 HA VAL A 141 -5.155 -9.055 4.919 1.00 75.34 H new ATOM 0 HB VAL A 141 -7.012 -7.892 2.800 1.00 1.11 H new ATOM 0 HG11 VAL A 141 -8.767 -8.113 4.512 1.00 51.42 H new ATOM 0 HG12 VAL A 141 -8.085 -9.693 4.057 1.00 51.42 H new ATOM 0 HG13 VAL A 141 -7.608 -8.926 5.590 1.00 51.42 H new ATOM 0 HG21 VAL A 141 -7.367 -6.079 4.426 1.00 74.03 H new ATOM 0 HG22 VAL A 141 -6.150 -6.809 5.500 1.00 74.03 H new ATOM 0 HG23 VAL A 141 -5.667 -6.178 3.908 1.00 74.03 H new ATOM 2112 N SER A 142 -5.591 -10.364 1.944 1.00 64.22 N ATOM 2113 CA SER A 142 -5.852 -11.605 1.225 1.00 70.42 C ATOM 2114 C SER A 142 -4.854 -11.795 0.087 1.00 13.40 C ATOM 2115 O SER A 142 -4.877 -11.061 -0.902 1.00 45.03 O ATOM 2116 CB SER A 142 -7.280 -11.608 0.673 1.00 14.34 C ATOM 2117 OG SER A 142 -8.163 -10.919 1.540 1.00 61.02 O ATOM 0 H SER A 142 -5.270 -9.595 1.356 1.00 64.22 H new ATOM 0 HA SER A 142 -5.738 -12.433 1.925 1.00 70.42 H new ATOM 0 HB2 SER A 142 -7.294 -11.141 -0.312 1.00 14.34 H new ATOM 0 HB3 SER A 142 -7.621 -12.635 0.543 1.00 14.34 H new ATOM 0 HG SER A 142 -8.754 -10.341 1.013 1.00 61.02 H new ATOM 2122 N TRP A 143 -3.979 -12.782 0.235 1.00 1.23 N ATOM 2123 CA TRP A 143 -2.971 -13.068 -0.781 1.00 74.42 C ATOM 2124 C TRP A 143 -3.313 -14.344 -1.541 1.00 23.32 C ATOM 2125 O TRP A 143 -4.254 -15.055 -1.190 1.00 72.24 O ATOM 2126 CB TRP A 143 -1.591 -13.198 -0.135 1.00 2.31 C ATOM 2127 CG TRP A 143 -1.525 -14.262 0.919 1.00 12.31 C ATOM 2128 CD1 TRP A 143 -1.065 -15.538 0.767 1.00 20.22 C ATOM 2129 CD2 TRP A 143 -1.935 -14.140 2.285 1.00 21.51 C ATOM 2130 NE1 TRP A 143 -1.164 -16.219 1.958 1.00 42.32 N ATOM 2131 CE2 TRP A 143 -1.694 -15.382 2.904 1.00 23.42 C ATOM 2132 CE3 TRP A 143 -2.481 -13.103 3.046 1.00 22.43 C ATOM 2133 CZ2 TRP A 143 -1.982 -15.613 4.247 1.00 30.55 C ATOM 2134 CZ3 TRP A 143 -2.765 -13.334 4.379 1.00 70.24 C ATOM 2135 CH2 TRP A 143 -2.516 -14.579 4.969 1.00 5.50 C ATOM 0 H TRP A 143 -3.946 -13.398 1.047 1.00 1.23 H new ATOM 0 HA TRP A 143 -2.957 -12.239 -1.489 1.00 74.42 H new ATOM 0 HB2 TRP A 143 -0.855 -13.417 -0.909 1.00 2.31 H new ATOM 0 HB3 TRP A 143 -1.313 -12.241 0.307 1.00 2.31 H new ATOM 0 HD1 TRP A 143 -0.680 -15.952 -0.153 1.00 20.22 H new ATOM 0 HE1 TRP A 143 -0.888 -17.189 2.112 1.00 42.32 H new ATOM 0 HE3 TRP A 143 -2.677 -12.139 2.601 1.00 22.43 H new ATOM 0 HZ2 TRP A 143 -1.791 -16.573 4.703 1.00 30.55 H new ATOM 0 HZ3 TRP A 143 -3.187 -12.539 4.976 1.00 70.24 H new ATOM 0 HH2 TRP A 143 -2.749 -14.727 6.013 1.00 5.50 H new ATOM 2145 N HIS A 144 -2.542 -14.630 -2.586 1.00 14.03 N ATOM 2146 CA HIS A 144 -2.763 -15.822 -3.396 1.00 21.33 C ATOM 2147 C HIS A 144 -1.450 -16.555 -3.654 1.00 34.24 C ATOM 2148 O HIS A 144 -0.506 -15.985 -4.198 1.00 35.21 O ATOM 2149 CB HIS A 144 -3.420 -15.447 -4.725 1.00 31.32 C ATOM 2150 CG HIS A 144 -4.779 -16.049 -4.913 1.00 32.42 C ATOM 2151 ND1 HIS A 144 -5.912 -15.295 -5.127 1.00 61.44 N ATOM 2152 CD2 HIS A 144 -5.181 -17.341 -4.918 1.00 63.15 C ATOM 2153 CE1 HIS A 144 -6.954 -16.097 -5.255 1.00 71.24 C ATOM 2154 NE2 HIS A 144 -6.537 -17.344 -5.132 1.00 24.22 N ATOM 0 H HIS A 144 -1.759 -14.052 -2.891 1.00 14.03 H new ATOM 0 HA HIS A 144 -3.428 -16.487 -2.845 1.00 21.33 H new ATOM 0 HB2 HIS A 144 -3.501 -14.362 -4.787 1.00 31.32 H new ATOM 0 HB3 HIS A 144 -2.774 -15.766 -5.543 1.00 31.32 H new ATOM 0 HD2 HIS A 144 -4.552 -18.208 -4.779 1.00 63.15 H new ATOM 0 HE1 HIS A 144 -7.973 -15.786 -5.430 1.00 71.24 H new ATOM 0 HE2 HIS A 144 -7.127 -18.174 -5.187 1.00 24.22 H new ATOM 2161 N ASN A 145 -1.399 -17.823 -3.257 1.00 4.53 N ATOM 2162 CA ASN A 145 -0.200 -18.634 -3.445 1.00 72.25 C ATOM 2163 C ASN A 145 0.867 -18.272 -2.418 1.00 32.25 C ATOM 2164 O ASN A 145 1.306 -19.118 -1.639 1.00 21.55 O ATOM 2165 CB ASN A 145 0.352 -18.446 -4.859 1.00 53.31 C ATOM 2166 CG ASN A 145 1.153 -19.644 -5.331 1.00 31.01 C ATOM 2167 OD1 ASN A 145 2.235 -19.924 -4.816 1.00 30.32 O ATOM 2168 ND2 ASN A 145 0.623 -20.359 -6.317 1.00 41.44 N ATOM 0 H ASN A 145 -2.172 -18.311 -2.804 1.00 4.53 H new ATOM 0 HA ASN A 145 -0.473 -19.680 -3.306 1.00 72.25 H new ATOM 0 HB2 ASN A 145 -0.474 -18.270 -5.548 1.00 53.31 H new ATOM 0 HB3 ASN A 145 0.983 -17.558 -4.885 1.00 53.31 H new ATOM 0 HD21 ASN A 145 1.116 -21.176 -6.676 1.00 41.44 H new ATOM 0 HD22 ASN A 145 -0.277 -20.091 -6.715 1.00 41.44 H new ATOM 2174 N ARG A 146 1.280 -17.009 -2.420 1.00 42.34 N ATOM 2175 CA ARG A 146 2.297 -16.535 -1.490 1.00 34.30 C ATOM 2176 C ARG A 146 2.494 -15.027 -1.622 1.00 61.11 C ATOM 2177 O ARG A 146 2.605 -14.501 -2.730 1.00 72.45 O ATOM 2178 CB ARG A 146 3.622 -17.257 -1.736 1.00 5.52 C ATOM 2179 CG ARG A 146 4.208 -17.899 -0.490 1.00 41.12 C ATOM 2180 CD ARG A 146 5.067 -16.916 0.291 1.00 24.51 C ATOM 2181 NE ARG A 146 6.423 -17.417 0.496 1.00 21.54 N ATOM 2182 CZ ARG A 146 6.717 -18.434 1.301 1.00 51.32 C ATOM 2183 NH1 ARG A 146 5.756 -19.053 1.971 1.00 73.13 N ATOM 2184 NH2 ARG A 146 7.976 -18.831 1.436 1.00 43.25 N ATOM 0 H ARG A 146 0.925 -16.295 -3.056 1.00 42.34 H new ATOM 0 HA ARG A 146 1.956 -16.753 -0.478 1.00 34.30 H new ATOM 0 HB2 ARG A 146 3.471 -18.026 -2.494 1.00 5.52 H new ATOM 0 HB3 ARG A 146 4.343 -16.547 -2.141 1.00 5.52 H new ATOM 0 HG2 ARG A 146 3.402 -18.265 0.146 1.00 41.12 H new ATOM 0 HG3 ARG A 146 4.808 -18.764 -0.773 1.00 41.12 H new ATOM 0 HD2 ARG A 146 5.108 -15.967 -0.243 1.00 24.51 H new ATOM 0 HD3 ARG A 146 4.604 -16.718 1.258 1.00 24.51 H new ATOM 0 HE ARG A 146 7.186 -16.962 -0.005 1.00 21.54 H new ATOM 0 HH11 ARG A 146 4.787 -18.750 1.870 1.00 73.13 H new ATOM 0 HH12 ARG A 146 5.985 -19.833 2.588 1.00 73.13 H new ATOM 0 HH21 ARG A 146 8.718 -18.356 0.922 1.00 43.25 H new ATOM 0 HH22 ARG A 146 8.201 -19.611 2.053 1.00 43.25 H new ATOM 2195 N ILE A 147 2.538 -14.340 -0.486 1.00 53.03 N ATOM 2196 CA ILE A 147 2.722 -12.893 -0.475 1.00 22.23 C ATOM 2197 C ILE A 147 3.992 -12.496 -1.219 1.00 32.05 C ATOM 2198 O ILE A 147 5.080 -12.468 -0.643 1.00 34.22 O ATOM 2199 CB ILE A 147 2.789 -12.345 0.963 1.00 24.35 C ATOM 2200 CG1 ILE A 147 1.496 -12.665 1.715 1.00 5.20 C ATOM 2201 CG2 ILE A 147 3.041 -10.845 0.946 1.00 35.23 C ATOM 2202 CD1 ILE A 147 1.573 -13.934 2.536 1.00 51.32 C ATOM 0 H ILE A 147 2.449 -14.761 0.439 1.00 53.03 H new ATOM 0 HA ILE A 147 1.858 -12.460 -0.979 1.00 22.23 H new ATOM 0 HB ILE A 147 3.617 -12.827 1.482 1.00 24.35 H new ATOM 0 HG12 ILE A 147 1.252 -11.831 2.372 1.00 5.20 H new ATOM 0 HG13 ILE A 147 0.680 -12.755 0.997 1.00 5.20 H new ATOM 0 HG21 ILE A 147 3.086 -10.472 1.969 1.00 35.23 H new ATOM 0 HG22 ILE A 147 3.986 -10.641 0.443 1.00 35.23 H new ATOM 0 HG23 ILE A 147 2.232 -10.346 0.413 1.00 35.23 H new ATOM 0 HD11 ILE A 147 0.622 -14.098 3.042 1.00 51.32 H new ATOM 0 HD12 ILE A 147 1.787 -14.779 1.881 1.00 51.32 H new ATOM 0 HD13 ILE A 147 2.366 -13.840 3.277 1.00 51.32 H new ATOM 2213 N THR A 148 3.848 -12.187 -2.504 1.00 55.11 N ATOM 2214 CA THR A 148 4.982 -11.790 -3.327 1.00 14.21 C ATOM 2215 C THR A 148 4.595 -10.683 -4.301 1.00 21.21 C ATOM 2216 O THR A 148 4.034 -10.946 -5.366 1.00 35.34 O ATOM 2217 CB THR A 148 5.545 -12.984 -4.122 1.00 2.30 C ATOM 2218 OG1 THR A 148 5.299 -14.203 -3.413 1.00 3.14 O ATOM 2219 CG2 THR A 148 7.039 -12.820 -4.360 1.00 62.45 C ATOM 0 H THR A 148 2.955 -12.204 -2.997 1.00 55.11 H new ATOM 0 HA THR A 148 5.750 -11.420 -2.648 1.00 14.21 H new ATOM 0 HB THR A 148 5.042 -13.019 -5.089 1.00 2.30 H new ATOM 0 HG1 THR A 148 4.333 -14.345 -3.332 1.00 3.14 H new ATOM 0 HG21 THR A 148 7.414 -13.675 -4.923 1.00 62.45 H new ATOM 0 HG22 THR A 148 7.219 -11.906 -4.926 1.00 62.45 H new ATOM 0 HG23 THR A 148 7.556 -12.762 -3.402 1.00 62.45 H new ATOM 2227 N LEU A 149 4.898 -9.443 -3.930 1.00 20.13 N ATOM 2228 CA LEU A 149 4.582 -8.295 -4.772 1.00 74.21 C ATOM 2229 C LEU A 149 5.294 -7.041 -4.274 1.00 32.42 C ATOM 2230 O LEU A 149 5.988 -7.073 -3.257 1.00 72.52 O ATOM 2231 CB LEU A 149 3.071 -8.059 -4.800 1.00 54.25 C ATOM 2232 CG LEU A 149 2.453 -7.510 -3.514 1.00 53.42 C ATOM 2233 CD1 LEU A 149 3.092 -8.158 -2.296 1.00 14.41 C ATOM 2234 CD2 LEU A 149 2.601 -5.997 -3.455 1.00 55.53 C ATOM 0 H LEU A 149 5.362 -9.208 -3.052 1.00 20.13 H new ATOM 0 HA LEU A 149 4.929 -8.511 -5.782 1.00 74.21 H new ATOM 0 HB2 LEU A 149 2.847 -7.367 -5.611 1.00 54.25 H new ATOM 0 HB3 LEU A 149 2.581 -9.002 -5.041 1.00 54.25 H new ATOM 0 HG LEU A 149 1.390 -7.751 -3.512 1.00 53.42 H new ATOM 0 HD11 LEU A 149 2.640 -7.755 -1.390 1.00 14.41 H new ATOM 0 HD12 LEU A 149 2.934 -9.236 -2.332 1.00 14.41 H new ATOM 0 HD13 LEU A 149 4.162 -7.948 -2.292 1.00 14.41 H new ATOM 0 HD21 LEU A 149 2.155 -5.624 -2.533 1.00 55.53 H new ATOM 0 HD22 LEU A 149 3.658 -5.734 -3.480 1.00 55.53 H new ATOM 0 HD23 LEU A 149 2.095 -5.548 -4.310 1.00 55.53 H new ATOM 2245 N ARG A 150 5.117 -5.940 -4.995 1.00 33.14 N ATOM 2246 CA ARG A 150 5.743 -4.676 -4.626 1.00 70.34 C ATOM 2247 C ARG A 150 4.738 -3.530 -4.701 1.00 14.21 C ATOM 2248 O ARG A 150 4.024 -3.380 -5.694 1.00 24.31 O ATOM 2249 CB ARG A 150 6.935 -4.385 -5.540 1.00 63.24 C ATOM 2250 CG ARG A 150 7.703 -3.130 -5.158 1.00 23.54 C ATOM 2251 CD ARG A 150 7.772 -2.146 -6.315 1.00 14.01 C ATOM 2252 NE ARG A 150 6.459 -1.902 -6.905 1.00 4.52 N ATOM 2253 CZ ARG A 150 6.281 -1.478 -8.152 1.00 70.30 C ATOM 2254 NH1 ARG A 150 7.327 -1.252 -8.934 1.00 70.43 N ATOM 2255 NH2 ARG A 150 5.054 -1.279 -8.617 1.00 24.03 N ATOM 0 H ARG A 150 4.545 -5.897 -5.839 1.00 33.14 H new ATOM 0 HA ARG A 150 6.096 -4.761 -3.598 1.00 70.34 H new ATOM 0 HB2 ARG A 150 7.614 -5.237 -5.519 1.00 63.24 H new ATOM 0 HB3 ARG A 150 6.580 -4.285 -6.566 1.00 63.24 H new ATOM 0 HG2 ARG A 150 7.223 -2.655 -4.303 1.00 23.54 H new ATOM 0 HG3 ARG A 150 8.712 -3.400 -4.848 1.00 23.54 H new ATOM 0 HD2 ARG A 150 8.193 -1.203 -5.965 1.00 14.01 H new ATOM 0 HD3 ARG A 150 8.447 -2.532 -7.079 1.00 14.01 H new ATOM 0 HE ARG A 150 5.633 -2.066 -6.329 1.00 4.52 H new ATOM 0 HH11 ARG A 150 8.271 -1.403 -8.579 1.00 70.43 H new ATOM 0 HH12 ARG A 150 7.188 -0.927 -9.891 1.00 70.43 H new ATOM 0 HH21 ARG A 150 4.247 -1.451 -8.017 1.00 24.03 H new ATOM 0 HH22 ARG A 150 4.918 -0.954 -9.574 1.00 24.03 H new ATOM 2266 N LEU A 151 4.688 -2.723 -3.647 1.00 74.01 N ATOM 2267 CA LEU A 151 3.771 -1.589 -3.593 1.00 24.13 C ATOM 2268 C LEU A 151 4.505 -0.281 -3.867 1.00 2.52 C ATOM 2269 O LEU A 151 5.230 0.225 -3.012 1.00 0.15 O ATOM 2270 CB LEU A 151 3.087 -1.527 -2.227 1.00 62.23 C ATOM 2271 CG LEU A 151 1.566 -1.362 -2.245 1.00 70.10 C ATOM 2272 CD1 LEU A 151 1.178 -0.066 -2.939 1.00 74.44 C ATOM 2273 CD2 LEU A 151 0.909 -2.552 -2.929 1.00 71.51 C ATOM 0 H LEU A 151 5.272 -2.833 -2.818 1.00 74.01 H new ATOM 0 HA LEU A 151 3.015 -1.728 -4.366 1.00 24.13 H new ATOM 0 HB2 LEU A 151 3.327 -2.439 -1.681 1.00 62.23 H new ATOM 0 HB3 LEU A 151 3.516 -0.697 -1.665 1.00 62.23 H new ATOM 0 HG LEU A 151 1.212 -1.319 -1.215 1.00 70.10 H new ATOM 0 HD11 LEU A 151 0.093 0.034 -2.942 1.00 74.44 H new ATOM 0 HD12 LEU A 151 1.619 0.777 -2.407 1.00 74.44 H new ATOM 0 HD13 LEU A 151 1.544 -0.079 -3.966 1.00 74.44 H new ATOM 0 HD21 LEU A 151 -0.173 -2.418 -2.933 1.00 71.51 H new ATOM 0 HD22 LEU A 151 1.269 -2.626 -3.955 1.00 71.51 H new ATOM 0 HD23 LEU A 151 1.159 -3.466 -2.390 1.00 71.51 H new ATOM 2284 N GLU A 152 4.309 0.261 -5.066 1.00 33.21 N ATOM 2285 CA GLU A 152 4.952 1.512 -5.451 1.00 12.35 C ATOM 2286 C GLU A 152 3.935 2.647 -5.526 1.00 45.24 C ATOM 2287 O GLU A 152 2.792 2.444 -5.940 1.00 63.30 O ATOM 2288 CB GLU A 152 5.658 1.354 -6.800 1.00 34.21 C ATOM 2289 CG GLU A 152 6.215 2.656 -7.351 1.00 13.35 C ATOM 2290 CD GLU A 152 7.123 2.441 -8.547 1.00 70.21 C ATOM 2291 OE1 GLU A 152 8.335 2.223 -8.342 1.00 34.52 O ATOM 2292 OE2 GLU A 152 6.620 2.492 -9.688 1.00 3.53 O ATOM 0 H GLU A 152 3.711 -0.146 -5.786 1.00 33.21 H new ATOM 0 HA GLU A 152 5.691 1.760 -4.689 1.00 12.35 H new ATOM 0 HB2 GLU A 152 6.472 0.637 -6.693 1.00 34.21 H new ATOM 0 HB3 GLU A 152 4.956 0.935 -7.521 1.00 34.21 H new ATOM 0 HG2 GLU A 152 5.390 3.307 -7.638 1.00 13.35 H new ATOM 0 HG3 GLU A 152 6.769 3.171 -6.566 1.00 13.35 H new ATOM 2297 N LEU A 153 4.357 3.841 -5.125 1.00 64.21 N ATOM 2298 CA LEU A 153 3.482 5.008 -5.147 1.00 31.15 C ATOM 2299 C LEU A 153 3.986 6.047 -6.144 1.00 72.30 C ATOM 2300 O LEU A 153 5.190 6.282 -6.256 1.00 10.32 O ATOM 2301 CB LEU A 153 3.391 5.627 -3.751 1.00 34.24 C ATOM 2302 CG LEU A 153 4.607 6.432 -3.292 1.00 1.44 C ATOM 2303 CD1 LEU A 153 4.236 7.352 -2.139 1.00 43.32 C ATOM 2304 CD2 LEU A 153 5.742 5.502 -2.889 1.00 24.44 C ATOM 0 H LEU A 153 5.299 4.027 -4.781 1.00 64.21 H new ATOM 0 HA LEU A 153 2.490 4.682 -5.459 1.00 31.15 H new ATOM 0 HB2 LEU A 153 2.517 6.278 -3.721 1.00 34.24 H new ATOM 0 HB3 LEU A 153 3.218 4.827 -3.031 1.00 34.24 H new ATOM 0 HG LEU A 153 4.946 7.047 -4.126 1.00 1.44 H new ATOM 0 HD11 LEU A 153 5.115 7.916 -1.827 1.00 43.32 H new ATOM 0 HD12 LEU A 153 3.457 8.043 -2.461 1.00 43.32 H new ATOM 0 HD13 LEU A 153 3.870 6.757 -1.302 1.00 43.32 H new ATOM 0 HD21 LEU A 153 6.599 6.093 -2.565 1.00 24.44 H new ATOM 0 HD22 LEU A 153 5.414 4.860 -2.071 1.00 24.44 H new ATOM 0 HD23 LEU A 153 6.028 4.886 -3.742 1.00 24.44 H new ATOM 2315 N LEU A 154 3.059 6.667 -6.863 1.00 62.34 N ATOM 2316 CA LEU A 154 3.407 7.683 -7.850 1.00 15.01 C ATOM 2317 C LEU A 154 3.075 9.081 -7.334 1.00 24.54 C ATOM 2318 O LEU A 154 2.126 9.263 -6.573 1.00 71.41 O ATOM 2319 CB LEU A 154 2.666 7.423 -9.163 1.00 13.24 C ATOM 2320 CG LEU A 154 2.604 5.966 -9.621 1.00 13.02 C ATOM 2321 CD1 LEU A 154 1.506 5.778 -10.656 1.00 4.31 C ATOM 2322 CD2 LEU A 154 3.949 5.525 -10.181 1.00 1.25 C ATOM 0 H LEU A 154 2.059 6.484 -6.781 1.00 62.34 H new ATOM 0 HA LEU A 154 4.481 7.627 -8.029 1.00 15.01 H new ATOM 0 HB2 LEU A 154 1.646 7.795 -9.061 1.00 13.24 H new ATOM 0 HB3 LEU A 154 3.142 8.010 -9.948 1.00 13.24 H new ATOM 0 HG LEU A 154 2.371 5.343 -8.757 1.00 13.02 H new ATOM 0 HD11 LEU A 154 1.477 4.735 -10.970 1.00 4.31 H new ATOM 0 HD12 LEU A 154 0.545 6.053 -10.221 1.00 4.31 H new ATOM 0 HD13 LEU A 154 1.708 6.412 -11.520 1.00 4.31 H new ATOM 0 HD21 LEU A 154 3.886 4.485 -10.502 1.00 1.25 H new ATOM 0 HD22 LEU A 154 4.212 6.153 -11.033 1.00 1.25 H new ATOM 0 HD23 LEU A 154 4.713 5.621 -9.410 1.00 1.25 H new ATOM 2333 N GLY A 155 3.864 10.064 -7.755 1.00 52.30 N ATOM 2334 CA GLY A 155 3.637 11.431 -7.327 1.00 51.44 C ATOM 2335 C GLY A 155 3.925 12.438 -8.424 1.00 14.14 C ATOM 2336 O GLY A 155 4.731 12.178 -9.318 1.00 54.54 O ATOM 0 H GLY A 155 4.656 9.938 -8.385 1.00 52.30 H new ATOM 0 HA2 GLY A 155 2.603 11.539 -7.001 1.00 51.44 H new ATOM 0 HA3 GLY A 155 4.267 11.648 -6.465 1.00 51.44 H new ATOM 2340 N CYS A 156 3.264 13.589 -8.357 1.00 35.23 N ATOM 2341 CA CYS A 156 3.452 14.637 -9.352 1.00 62.13 C ATOM 2342 C CYS A 156 4.869 15.200 -9.289 1.00 53.45 C ATOM 2343 O CYS A 156 5.376 15.745 -10.270 1.00 52.12 O ATOM 2344 CB CYS A 156 2.434 15.760 -9.138 1.00 12.33 C ATOM 2345 SG CYS A 156 2.615 17.157 -10.295 1.00 71.52 S ATOM 0 H CYS A 156 2.593 13.819 -7.624 1.00 35.23 H new ATOM 0 HA CYS A 156 3.298 14.199 -10.338 1.00 62.13 H new ATOM 0 HB2 CYS A 156 1.429 15.349 -9.236 1.00 12.33 H new ATOM 0 HB3 CYS A 156 2.528 16.132 -8.118 1.00 12.33 H new ATOM 2349 N LEU A 157 5.502 15.066 -8.129 1.00 21.21 N ATOM 2350 CA LEU A 157 6.860 15.562 -7.937 1.00 4.21 C ATOM 2351 C LEU A 157 6.915 17.077 -8.092 1.00 41.33 C ATOM 2352 O LEU A 157 7.964 17.642 -8.400 1.00 40.42 O ATOM 2353 CB LEU A 157 7.811 14.900 -8.936 1.00 53.40 C ATOM 2354 CG LEU A 157 8.983 14.123 -8.335 1.00 41.00 C ATOM 2355 CD1 LEU A 157 9.812 15.023 -7.431 1.00 63.24 C ATOM 2356 CD2 LEU A 157 8.480 12.910 -7.568 1.00 31.32 C ATOM 0 H LEU A 157 5.097 14.618 -7.307 1.00 21.21 H new ATOM 0 HA LEU A 157 7.173 15.309 -6.924 1.00 4.21 H new ATOM 0 HB2 LEU A 157 7.233 14.220 -9.561 1.00 53.40 H new ATOM 0 HB3 LEU A 157 8.212 15.673 -9.592 1.00 53.40 H new ATOM 0 HG LEU A 157 9.620 13.775 -9.148 1.00 41.00 H new ATOM 0 HD11 LEU A 157 10.641 14.453 -7.012 1.00 63.24 H new ATOM 0 HD12 LEU A 157 10.202 15.860 -8.010 1.00 63.24 H new ATOM 0 HD13 LEU A 157 9.187 15.402 -6.622 1.00 63.24 H new ATOM 0 HD21 LEU A 157 9.327 12.369 -7.147 1.00 31.32 H new ATOM 0 HD22 LEU A 157 7.821 13.236 -6.763 1.00 31.32 H new ATOM 0 HD23 LEU A 157 7.930 12.255 -8.244 1.00 31.32 H new ATOM 2367 N GLU A 158 5.777 17.731 -7.876 1.00 21.34 N ATOM 2368 CA GLU A 158 5.697 19.182 -7.991 1.00 74.44 C ATOM 2369 C GLU A 158 4.556 19.733 -7.140 1.00 34.43 C ATOM 2370 O GLU A 158 3.870 18.984 -6.445 1.00 32.22 O ATOM 2371 CB GLU A 158 5.499 19.590 -9.453 1.00 21.23 C ATOM 2372 CG GLU A 158 5.907 21.024 -9.744 1.00 65.25 C ATOM 2373 CD GLU A 158 4.843 21.788 -10.509 1.00 55.55 C ATOM 2374 OE1 GLU A 158 4.699 21.547 -11.726 1.00 41.10 O ATOM 2375 OE2 GLU A 158 4.156 22.629 -9.891 1.00 45.35 O ATOM 0 H GLU A 158 4.899 17.279 -7.621 1.00 21.34 H new ATOM 0 HA GLU A 158 6.635 19.602 -7.627 1.00 74.44 H new ATOM 0 HB2 GLU A 158 6.077 18.920 -10.090 1.00 21.23 H new ATOM 0 HB3 GLU A 158 4.450 19.458 -9.720 1.00 21.23 H new ATOM 0 HG2 GLU A 158 6.113 21.537 -8.805 1.00 65.25 H new ATOM 0 HG3 GLU A 158 6.834 21.025 -10.318 1.00 65.25 H new