USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1190 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 94 SER OG : rot -114:sc= -0.844! USER MOD Set 1.2: A 139 HIS : no HE2:sc= 0.3 K(o=-0.54,f=-3.2) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.592 X(o=-3.1,f=-2.9) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -4.32! K(o=-3.1!,f=-1.9) USER MOD Set 2.3: A 133 SER OG : rot -135:sc= 1.26 USER MOD Set 2.4: A 137 CYS SG : rot 127:sc= 0.51 USER MOD Set 3.1: A 128 THR OG1 : rot -79:sc= 1.54 USER MOD Set 3.2: A 131 SER OG : rot -150:sc= 1.39 USER MOD Set 4.1: A 103 LYS NZ :NH3+ -177:sc= 1.26 (180deg=0) USER MOD Set 4.2: A 107 ASN : amide:sc= 1.95 K(o=3.2,f=-6.3!) USER MOD Set 5.1: A 30 ASN : amide:sc= -3.87! C(o=-4.1!,f=-8.8!) USER MOD Set 5.2: A 101 TYR OH : rot -102:sc= 1.22 USER MOD Set 5.3: A 141 MET CE :methyl 176:sc= -1.47 (180deg=-1.35) USER MOD Set 6.1: A 75 CYS SG : rot -37:sc= -0.468 USER MOD Set 6.2: A 83 ASN : amide:sc= 1.45 K(o=0.98,f=-13!) USER MOD Set 7.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 21 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 8.2: A 85 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.39) USER MOD Set 9.1: A 16 LYS NZ :NH3+ -135:sc= 0.871 (180deg=-0.536!) USER MOD Set 9.2: A 48 ASN : amide:sc= 0.812 K(o=1.7,f=-7.1!) USER MOD Single : A 4 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.089) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.077) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc=-0.00995 (180deg=-0.18) USER MOD Single : A 11 SER OG : rot 87:sc= 0.978 USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= 0.719 (180deg=-0.153) USER MOD Single : A 13 TYR OH : rot 120:sc= -1.08! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 6:sc= 0.529 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 22:sc= 0.1 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.955 USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.79 USER MOD Single : A 32 TYR OH : rot 4:sc= 0.981 USER MOD Single : A 33 ASN : amide:sc= -1.04 K(o=-1,f=-7.2!) USER MOD Single : A 39 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.5!) USER MOD Single : A 42 SER OG : rot 80:sc= 1.23 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 178:sc= -1.88 (180deg=-1.91) USER MOD Single : A 46 SER OG : rot 104:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= -3.14! K(o=-3.1!,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= -1.86 K(o=-1.9,f=-5!) USER MOD Single : A 52 SER OG : rot 130:sc= -0.522 USER MOD Single : A 54 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-10!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0957 K(o=-0.096,f=-0.99) USER MOD Single : A 71 ASN : amide:sc= -3.81! K(o=-3.8!,f=-1.4) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 81 SER OG : rot 146:sc= 0.0159 USER MOD Single : A 86 SER OG : rot 170:sc= -3.08! USER MOD Single : A 88 SER OG : rot 130:sc= -1.17 USER MOD Single : A 92 CYS SG : rot 100:sc= -1.53 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= 1.29 (180deg=1.1) USER MOD Single : A 96 SER OG : rot -130:sc= -0.177 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -4.23! K(o=-4.2!,f=-0.31) USER MOD Single : A 116 MET CE :methyl 179:sc= -2.28 (180deg=-2.29) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -162:sc= -0.626 (180deg=-0.961) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.065) USER MOD Single : A 125 ASN : amide:sc= -0.0521 K(o=-0.052,f=-2.1!) USER MOD Single : A 130 GLN : amide:sc= -2.82! K(o=-2.8!,f=-1.1) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 TYR OH : rot -109:sc= 0.195 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 174:sc= 2.48 (180deg=2.21) USER MOD Single : A 155 LYS NZ :NH3+ 173:sc=-0.00483 (180deg=-0.0806) USER MOD Single : A 156 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 3 10.573 9.066 -0.305 1.00 54.21 N ATOM 36 CA ILE A 3 9.225 8.978 -0.770 1.00 74.23 C ATOM 37 C ILE A 3 8.990 10.149 -1.713 1.00 25.54 C ATOM 38 O ILE A 3 9.297 11.306 -1.383 1.00 60.11 O ATOM 39 CB ILE A 3 8.207 8.976 0.395 1.00 45.14 C ATOM 40 CG1 ILE A 3 8.519 7.794 1.333 1.00 55.44 C ATOM 41 CG2 ILE A 3 6.776 8.859 -0.152 1.00 64.02 C ATOM 42 CD1 ILE A 3 7.647 7.725 2.563 1.00 41.32 C ATOM 0 HA ILE A 3 9.076 8.033 -1.292 1.00 74.23 H new ATOM 0 HB ILE A 3 8.286 9.911 0.950 1.00 45.14 H new ATOM 0 HG12 ILE A 3 8.411 6.865 0.774 1.00 55.44 H new ATOM 0 HG13 ILE A 3 9.561 7.859 1.645 1.00 55.44 H new ATOM 0 HG21 ILE A 3 6.068 8.859 0.677 1.00 64.02 H new ATOM 0 HG22 ILE A 3 6.567 9.705 -0.807 1.00 64.02 H new ATOM 0 HG23 ILE A 3 6.676 7.931 -0.715 1.00 64.02 H new ATOM 0 HD11 ILE A 3 7.935 6.864 3.166 1.00 41.32 H new ATOM 0 HD12 ILE A 3 7.771 8.636 3.149 1.00 41.32 H new ATOM 0 HD13 ILE A 3 6.604 7.625 2.264 1.00 41.32 H new ATOM 54 N GLN A 4 8.497 9.852 -2.861 1.00 53.22 N ATOM 55 CA GLN A 4 8.348 10.799 -3.910 1.00 63.15 C ATOM 56 C GLN A 4 6.939 11.318 -3.904 1.00 21.03 C ATOM 57 O GLN A 4 5.998 10.560 -3.661 1.00 23.42 O ATOM 58 CB GLN A 4 8.535 10.065 -5.200 1.00 25.14 C ATOM 59 CG GLN A 4 8.956 10.890 -6.369 1.00 12.24 C ATOM 60 CD GLN A 4 10.391 11.275 -6.246 1.00 2.35 C ATOM 61 OE1 GLN A 4 10.731 12.326 -5.695 1.00 34.11 O ATOM 62 NE2 GLN A 4 11.241 10.398 -6.704 1.00 62.51 N ATOM 0 H GLN A 4 8.176 8.915 -3.105 1.00 53.22 H new ATOM 0 HA GLN A 4 9.060 11.615 -3.789 1.00 63.15 H new ATOM 0 HB2 GLN A 4 9.279 9.284 -5.046 1.00 25.14 H new ATOM 0 HB3 GLN A 4 7.598 9.568 -5.451 1.00 25.14 H new ATOM 0 HG2 GLN A 4 8.801 10.330 -7.291 1.00 12.24 H new ATOM 0 HG3 GLN A 4 8.337 11.785 -6.432 1.00 12.24 H new ATOM 0 HE21 GLN A 4 10.903 9.546 -7.151 1.00 62.51 H new ATOM 0 HE22 GLN A 4 12.243 10.565 -6.615 1.00 62.51 H new ATOM 71 N LYS A 5 6.780 12.566 -4.172 1.00 15.53 N ATOM 72 CA LYS A 5 5.480 13.118 -4.294 1.00 74.22 C ATOM 73 C LYS A 5 5.158 13.361 -5.734 1.00 41.24 C ATOM 74 O LYS A 5 5.705 14.253 -6.361 1.00 11.45 O ATOM 75 CB LYS A 5 5.322 14.379 -3.453 1.00 50.24 C ATOM 76 CG LYS A 5 5.296 14.112 -1.957 1.00 14.45 C ATOM 77 CD LYS A 5 4.079 13.272 -1.584 1.00 50.55 C ATOM 78 CE LYS A 5 4.059 12.916 -0.114 1.00 21.54 C ATOM 79 NZ LYS A 5 4.028 14.106 0.767 1.00 4.01 N ATOM 0 H LYS A 5 7.543 13.228 -4.312 1.00 15.53 H new ATOM 0 HA LYS A 5 4.762 12.397 -3.904 1.00 74.22 H new ATOM 0 HB2 LYS A 5 6.142 15.061 -3.678 1.00 50.24 H new ATOM 0 HB3 LYS A 5 4.400 14.884 -3.740 1.00 50.24 H new ATOM 0 HG2 LYS A 5 6.208 13.594 -1.658 1.00 14.45 H new ATOM 0 HG3 LYS A 5 5.273 15.057 -1.414 1.00 14.45 H new ATOM 0 HD2 LYS A 5 3.171 13.820 -1.836 1.00 50.55 H new ATOM 0 HD3 LYS A 5 4.075 12.358 -2.178 1.00 50.55 H new ATOM 0 HE2 LYS A 5 3.187 12.295 0.092 1.00 21.54 H new ATOM 0 HE3 LYS A 5 4.940 12.318 0.122 1.00 21.54 H new ATOM 0 HZ1 LYS A 5 3.896 13.804 1.753 1.00 4.01 H new ATOM 0 HZ2 LYS A 5 4.925 14.625 0.681 1.00 4.01 H new ATOM 0 HZ3 LYS A 5 3.241 14.725 0.486 1.00 4.01 H new ATOM 93 N LYS A 6 4.303 12.522 -6.259 1.00 61.12 N ATOM 94 CA LYS A 6 3.832 12.631 -7.622 1.00 71.24 C ATOM 95 C LYS A 6 2.357 12.405 -7.587 1.00 63.51 C ATOM 96 O LYS A 6 1.768 11.853 -8.532 1.00 51.44 O ATOM 97 CB LYS A 6 4.500 11.586 -8.533 1.00 42.24 C ATOM 98 CG LYS A 6 6.015 11.689 -8.606 1.00 52.54 C ATOM 99 CD LYS A 6 6.606 10.734 -9.647 1.00 72.15 C ATOM 100 CE LYS A 6 6.193 11.109 -11.072 1.00 42.01 C ATOM 101 NZ LYS A 6 6.668 12.461 -11.462 1.00 33.21 N ATOM 0 H LYS A 6 3.907 11.733 -5.748 1.00 61.12 H new ATOM 0 HA LYS A 6 4.079 13.612 -8.027 1.00 71.24 H new ATOM 0 HB2 LYS A 6 4.233 10.590 -8.179 1.00 42.24 H new ATOM 0 HB3 LYS A 6 4.093 11.686 -9.539 1.00 42.24 H new ATOM 0 HG2 LYS A 6 6.297 12.713 -8.852 1.00 52.54 H new ATOM 0 HG3 LYS A 6 6.441 11.467 -7.628 1.00 52.54 H new ATOM 0 HD2 LYS A 6 7.693 10.743 -9.571 1.00 72.15 H new ATOM 0 HD3 LYS A 6 6.280 9.717 -9.431 1.00 72.15 H new ATOM 0 HE2 LYS A 6 6.592 10.372 -11.769 1.00 42.01 H new ATOM 0 HE3 LYS A 6 5.107 11.071 -11.155 1.00 42.01 H new ATOM 0 HZ1 LYS A 6 6.561 12.584 -12.489 1.00 33.21 H new ATOM 0 HZ2 LYS A 6 6.106 13.183 -10.967 1.00 33.21 H new ATOM 0 HZ3 LYS A 6 7.670 12.565 -11.203 1.00 33.21 H new ATOM 115 N LEU A 7 1.767 12.874 -6.477 1.00 75.04 N ATOM 116 CA LEU A 7 0.346 12.768 -6.185 1.00 11.42 C ATOM 117 C LEU A 7 -0.531 13.140 -7.387 1.00 15.32 C ATOM 118 O LEU A 7 -0.118 13.901 -8.278 1.00 63.40 O ATOM 119 CB LEU A 7 -0.025 13.627 -4.959 1.00 14.13 C ATOM 120 CG LEU A 7 0.711 13.303 -3.634 1.00 25.22 C ATOM 121 CD1 LEU A 7 0.253 14.238 -2.532 1.00 33.12 C ATOM 122 CD2 LEU A 7 0.495 11.851 -3.208 1.00 11.21 C ATOM 0 H LEU A 7 2.289 13.350 -5.741 1.00 75.04 H new ATOM 0 HA LEU A 7 0.148 11.720 -5.957 1.00 11.42 H new ATOM 0 HB2 LEU A 7 0.163 14.672 -5.206 1.00 14.13 H new ATOM 0 HB3 LEU A 7 -1.097 13.528 -4.786 1.00 14.13 H new ATOM 0 HG LEU A 7 1.777 13.447 -3.809 1.00 25.22 H new ATOM 0 HD11 LEU A 7 0.779 13.997 -1.608 1.00 33.12 H new ATOM 0 HD12 LEU A 7 0.470 15.268 -2.815 1.00 33.12 H new ATOM 0 HD13 LEU A 7 -0.820 14.122 -2.379 1.00 33.12 H new ATOM 0 HD21 LEU A 7 1.026 11.663 -2.275 1.00 11.21 H new ATOM 0 HD22 LEU A 7 -0.570 11.669 -3.062 1.00 11.21 H new ATOM 0 HD23 LEU A 7 0.874 11.184 -3.983 1.00 11.21 H new ATOM 134 N VAL A 8 -1.737 12.645 -7.372 1.00 43.12 N ATOM 135 CA VAL A 8 -2.641 12.760 -8.481 1.00 53.01 C ATOM 136 C VAL A 8 -3.126 14.193 -8.693 1.00 25.22 C ATOM 137 O VAL A 8 -3.247 14.986 -7.750 1.00 63.04 O ATOM 138 CB VAL A 8 -3.875 11.828 -8.266 1.00 42.54 C ATOM 139 CG1 VAL A 8 -4.667 12.237 -7.031 1.00 4.14 C ATOM 140 CG2 VAL A 8 -4.774 11.796 -9.483 1.00 23.22 C ATOM 0 H VAL A 8 -2.126 12.142 -6.575 1.00 43.12 H new ATOM 0 HA VAL A 8 -2.089 12.459 -9.371 1.00 53.01 H new ATOM 0 HB VAL A 8 -3.489 10.821 -8.110 1.00 42.54 H new ATOM 0 HG11 VAL A 8 -5.520 11.569 -6.908 1.00 4.14 H new ATOM 0 HG12 VAL A 8 -4.027 12.174 -6.151 1.00 4.14 H new ATOM 0 HG13 VAL A 8 -5.022 13.261 -7.149 1.00 4.14 H new ATOM 0 HG21 VAL A 8 -5.621 11.136 -9.293 1.00 23.22 H new ATOM 0 HG22 VAL A 8 -5.138 12.802 -9.693 1.00 23.22 H new ATOM 0 HG23 VAL A 8 -4.212 11.427 -10.341 1.00 23.22 H new ATOM 150 N ASP A 9 -3.356 14.501 -9.946 1.00 74.11 N ATOM 151 CA ASP A 9 -3.876 15.757 -10.379 1.00 75.41 C ATOM 152 C ASP A 9 -5.318 15.889 -9.922 1.00 25.53 C ATOM 153 O ASP A 9 -6.105 14.931 -10.039 1.00 64.23 O ATOM 154 CB ASP A 9 -3.790 15.828 -11.905 1.00 31.10 C ATOM 155 CG ASP A 9 -4.485 17.026 -12.490 1.00 2.52 C ATOM 156 OD1 ASP A 9 -3.846 18.067 -12.654 1.00 71.03 O ATOM 157 OD2 ASP A 9 -5.675 16.919 -12.814 1.00 30.24 O ATOM 0 H ASP A 9 -3.177 13.854 -10.714 1.00 74.11 H new ATOM 0 HA ASP A 9 -3.297 16.574 -9.949 1.00 75.41 H new ATOM 0 HB2 ASP A 9 -2.741 15.846 -12.201 1.00 31.10 H new ATOM 0 HB3 ASP A 9 -4.226 14.923 -12.328 1.00 31.10 H new ATOM 162 N PRO A 10 -5.689 17.058 -9.409 1.00 4.02 N ATOM 163 CA PRO A 10 -7.016 17.326 -8.868 1.00 61.52 C ATOM 164 C PRO A 10 -8.204 17.064 -9.828 1.00 12.00 C ATOM 165 O PRO A 10 -9.347 17.006 -9.386 1.00 12.45 O ATOM 166 CB PRO A 10 -6.957 18.776 -8.392 1.00 71.14 C ATOM 167 CG PRO A 10 -5.808 19.368 -9.128 1.00 55.21 C ATOM 168 CD PRO A 10 -4.824 18.255 -9.296 1.00 1.23 C ATOM 0 HA PRO A 10 -7.231 16.621 -8.065 1.00 61.52 H new ATOM 0 HB2 PRO A 10 -7.884 19.304 -8.615 1.00 71.14 H new ATOM 0 HB3 PRO A 10 -6.808 18.833 -7.314 1.00 71.14 H new ATOM 0 HG2 PRO A 10 -6.122 19.763 -10.094 1.00 55.21 H new ATOM 0 HG3 PRO A 10 -5.371 20.197 -8.572 1.00 55.21 H new ATOM 0 HD2 PRO A 10 -4.207 18.392 -10.184 1.00 1.23 H new ATOM 0 HD3 PRO A 10 -4.146 18.184 -8.445 1.00 1.23 H new ATOM 176 N SER A 11 -7.958 16.893 -11.127 1.00 50.41 N ATOM 177 CA SER A 11 -9.068 16.705 -12.050 1.00 54.05 C ATOM 178 C SER A 11 -9.556 15.270 -11.936 1.00 1.14 C ATOM 179 O SER A 11 -10.680 14.939 -12.273 1.00 14.02 O ATOM 180 CB SER A 11 -8.621 17.009 -13.464 1.00 32.45 C ATOM 181 OG SER A 11 -7.948 18.259 -13.497 1.00 63.14 O ATOM 0 H SER A 11 -7.030 16.881 -11.550 1.00 50.41 H new ATOM 0 HA SER A 11 -9.883 17.384 -11.801 1.00 54.05 H new ATOM 0 HB2 SER A 11 -7.960 16.220 -13.824 1.00 32.45 H new ATOM 0 HB3 SER A 11 -9.483 17.032 -14.131 1.00 32.45 H new ATOM 0 HG SER A 11 -7.000 18.126 -13.288 1.00 63.14 H new ATOM 187 N LYS A 12 -8.677 14.434 -11.429 1.00 10.23 N ATOM 188 CA LYS A 12 -8.929 13.033 -11.241 1.00 32.02 C ATOM 189 C LYS A 12 -9.225 12.787 -9.822 1.00 41.21 C ATOM 190 O LYS A 12 -9.478 11.658 -9.420 1.00 71.32 O ATOM 191 CB LYS A 12 -7.695 12.220 -11.560 1.00 73.53 C ATOM 192 CG LYS A 12 -7.161 12.354 -12.941 1.00 51.30 C ATOM 193 CD LYS A 12 -6.584 13.698 -13.237 1.00 43.24 C ATOM 194 CE LYS A 12 -6.004 13.690 -14.616 1.00 74.41 C ATOM 195 NZ LYS A 12 -5.463 14.999 -15.034 1.00 63.14 N ATOM 0 H LYS A 12 -7.745 14.723 -11.130 1.00 10.23 H new ATOM 0 HA LYS A 12 -9.756 12.750 -11.893 1.00 32.02 H new ATOM 0 HB2 LYS A 12 -6.909 12.501 -10.860 1.00 73.53 H new ATOM 0 HB3 LYS A 12 -7.921 11.169 -11.380 1.00 73.53 H new ATOM 0 HG2 LYS A 12 -6.393 11.597 -13.098 1.00 51.30 H new ATOM 0 HG3 LYS A 12 -7.962 12.148 -13.651 1.00 51.30 H new ATOM 0 HD2 LYS A 12 -7.356 14.464 -13.158 1.00 43.24 H new ATOM 0 HD3 LYS A 12 -5.814 13.945 -12.507 1.00 43.24 H new ATOM 0 HE2 LYS A 12 -5.209 12.945 -14.663 1.00 74.41 H new ATOM 0 HE3 LYS A 12 -6.773 13.381 -15.324 1.00 74.41 H new ATOM 0 HZ1 LYS A 12 -5.929 15.303 -15.913 1.00 63.14 H new ATOM 0 HZ2 LYS A 12 -5.640 15.702 -14.288 1.00 63.14 H new ATOM 0 HZ3 LYS A 12 -4.439 14.916 -15.196 1.00 63.14 H new ATOM 209 N TYR A 13 -9.170 13.835 -9.063 1.00 5.21 N ATOM 210 CA TYR A 13 -9.292 13.764 -7.630 1.00 23.04 C ATOM 211 C TYR A 13 -10.556 13.103 -7.234 1.00 71.30 C ATOM 212 O TYR A 13 -10.551 12.316 -6.351 1.00 1.54 O ATOM 213 CB TYR A 13 -9.224 15.132 -7.018 1.00 53.15 C ATOM 214 CG TYR A 13 -8.221 15.258 -5.919 1.00 14.51 C ATOM 215 CD1 TYR A 13 -6.889 15.063 -6.183 1.00 73.12 C ATOM 216 CD2 TYR A 13 -8.598 15.593 -4.634 1.00 73.42 C ATOM 217 CE1 TYR A 13 -5.939 15.195 -5.202 1.00 13.14 C ATOM 218 CE2 TYR A 13 -7.663 15.738 -3.634 1.00 70.43 C ATOM 219 CZ TYR A 13 -6.330 15.542 -3.918 1.00 55.54 C ATOM 220 OH TYR A 13 -5.385 15.687 -2.917 1.00 23.51 O ATOM 0 H TYR A 13 -9.037 14.781 -9.420 1.00 5.21 H new ATOM 0 HA TYR A 13 -8.456 13.170 -7.261 1.00 23.04 H new ATOM 0 HB2 TYR A 13 -8.986 15.856 -7.797 1.00 53.15 H new ATOM 0 HB3 TYR A 13 -10.208 15.394 -6.629 1.00 53.15 H new ATOM 0 HD1 TYR A 13 -6.582 14.800 -7.184 1.00 73.12 H new ATOM 0 HD2 TYR A 13 -9.644 15.744 -4.409 1.00 73.42 H new ATOM 0 HE1 TYR A 13 -4.896 15.030 -5.428 1.00 13.14 H new ATOM 0 HE2 TYR A 13 -7.973 16.004 -2.634 1.00 70.43 H new ATOM 0 HH TYR A 13 -5.418 16.601 -2.566 1.00 23.51 H new ATOM 230 N GLY A 14 -11.625 13.359 -7.947 1.00 5.14 N ATOM 231 CA GLY A 14 -12.875 12.744 -7.554 1.00 70.11 C ATOM 232 C GLY A 14 -13.140 11.455 -8.275 1.00 23.41 C ATOM 233 O GLY A 14 -14.245 10.943 -8.274 1.00 75.21 O ATOM 0 H GLY A 14 -11.662 13.962 -8.769 1.00 5.14 H new ATOM 0 HA2 GLY A 14 -12.862 12.558 -6.480 1.00 70.11 H new ATOM 0 HA3 GLY A 14 -13.693 13.438 -7.747 1.00 70.11 H new ATOM 237 N THR A 15 -12.134 10.941 -8.893 1.00 34.43 N ATOM 238 CA THR A 15 -12.200 9.642 -9.491 1.00 54.52 C ATOM 239 C THR A 15 -11.297 8.718 -8.693 1.00 13.43 C ATOM 240 O THR A 15 -11.602 7.555 -8.472 1.00 24.11 O ATOM 241 CB THR A 15 -11.720 9.688 -10.956 1.00 45.43 C ATOM 242 OG1 THR A 15 -12.485 10.662 -11.667 1.00 52.02 O ATOM 243 CG2 THR A 15 -11.887 8.334 -11.633 1.00 52.24 C ATOM 0 H THR A 15 -11.234 11.409 -9.002 1.00 34.43 H new ATOM 0 HA THR A 15 -13.230 9.286 -9.484 1.00 54.52 H new ATOM 0 HB THR A 15 -10.662 9.950 -10.964 1.00 45.43 H new ATOM 0 HG1 THR A 15 -12.184 10.698 -12.599 1.00 52.02 H new ATOM 0 HG21 THR A 15 -11.540 8.398 -12.664 1.00 52.24 H new ATOM 0 HG22 THR A 15 -11.302 7.586 -11.099 1.00 52.24 H new ATOM 0 HG23 THR A 15 -12.939 8.048 -11.621 1.00 52.24 H new ATOM 251 N LYS A 16 -10.201 9.281 -8.221 1.00 73.12 N ATOM 252 CA LYS A 16 -9.210 8.539 -7.495 1.00 12.20 C ATOM 253 C LYS A 16 -9.523 8.597 -6.007 1.00 15.22 C ATOM 254 O LYS A 16 -9.325 7.633 -5.278 1.00 41.12 O ATOM 255 CB LYS A 16 -7.843 9.148 -7.825 1.00 51.52 C ATOM 256 CG LYS A 16 -7.548 9.115 -9.333 1.00 65.41 C ATOM 257 CD LYS A 16 -7.252 7.715 -9.813 1.00 12.11 C ATOM 258 CE LYS A 16 -7.578 7.566 -11.276 1.00 21.52 C ATOM 259 NZ LYS A 16 -7.017 8.650 -12.122 1.00 14.40 N ATOM 0 H LYS A 16 -9.980 10.270 -8.335 1.00 73.12 H new ATOM 0 HA LYS A 16 -9.205 7.487 -7.779 1.00 12.20 H new ATOM 0 HB2 LYS A 16 -7.810 10.179 -7.471 1.00 51.52 H new ATOM 0 HB3 LYS A 16 -7.065 8.603 -7.291 1.00 51.52 H new ATOM 0 HG2 LYS A 16 -8.402 9.514 -9.880 1.00 65.41 H new ATOM 0 HG3 LYS A 16 -6.699 9.762 -9.552 1.00 65.41 H new ATOM 0 HD2 LYS A 16 -6.200 7.484 -9.646 1.00 12.11 H new ATOM 0 HD3 LYS A 16 -7.832 6.997 -9.233 1.00 12.11 H new ATOM 0 HE2 LYS A 16 -7.198 6.607 -11.629 1.00 21.52 H new ATOM 0 HE3 LYS A 16 -8.661 7.544 -11.398 1.00 21.52 H new ATOM 0 HZ1 LYS A 16 -7.742 8.979 -12.791 1.00 14.40 H new ATOM 0 HZ2 LYS A 16 -6.718 9.442 -11.518 1.00 14.40 H new ATOM 0 HZ3 LYS A 16 -6.197 8.289 -12.650 1.00 14.40 H new ATOM 273 N CYS A 17 -10.058 9.726 -5.586 1.00 31.53 N ATOM 274 CA CYS A 17 -10.441 9.946 -4.216 1.00 15.14 C ATOM 275 C CYS A 17 -11.600 10.963 -4.119 1.00 75.41 C ATOM 276 O CYS A 17 -11.411 12.094 -3.661 1.00 51.10 O ATOM 277 CB CYS A 17 -9.231 10.422 -3.416 1.00 43.11 C ATOM 278 SG CYS A 17 -8.388 11.867 -4.107 1.00 22.51 S ATOM 0 H CYS A 17 -10.239 10.522 -6.197 1.00 31.53 H new ATOM 0 HA CYS A 17 -10.796 9.005 -3.796 1.00 15.14 H new ATOM 0 HB2 CYS A 17 -9.553 10.657 -2.401 1.00 43.11 H new ATOM 0 HB3 CYS A 17 -8.516 9.602 -3.342 1.00 43.11 H new ATOM 0 HG CYS A 17 -9.066 12.323 -5.118 1.00 22.51 H new ATOM 284 N PRO A 18 -12.819 10.599 -4.599 1.00 34.05 N ATOM 285 CA PRO A 18 -13.988 11.514 -4.583 1.00 54.40 C ATOM 286 C PRO A 18 -14.402 11.826 -3.178 1.00 51.13 C ATOM 287 O PRO A 18 -15.054 12.837 -2.896 1.00 11.32 O ATOM 288 CB PRO A 18 -15.080 10.716 -5.298 1.00 52.23 C ATOM 289 CG PRO A 18 -14.658 9.293 -5.183 1.00 4.41 C ATOM 290 CD PRO A 18 -13.159 9.290 -5.192 1.00 21.22 C ATOM 0 HA PRO A 18 -13.779 12.473 -5.057 1.00 54.40 H new ATOM 0 HB2 PRO A 18 -16.053 10.877 -4.835 1.00 52.23 H new ATOM 0 HB3 PRO A 18 -15.170 11.018 -6.342 1.00 52.23 H new ATOM 0 HG2 PRO A 18 -15.041 8.848 -4.265 1.00 4.41 H new ATOM 0 HG3 PRO A 18 -15.052 8.704 -6.011 1.00 4.41 H new ATOM 0 HD2 PRO A 18 -12.754 8.465 -4.607 1.00 21.22 H new ATOM 0 HD3 PRO A 18 -12.762 9.189 -6.202 1.00 21.22 H new ATOM 298 N TYR A 19 -14.006 10.963 -2.321 1.00 32.14 N ATOM 299 CA TYR A 19 -14.268 11.073 -0.920 1.00 44.31 C ATOM 300 C TYR A 19 -12.980 11.348 -0.179 1.00 30.42 C ATOM 301 O TYR A 19 -11.886 10.998 -0.638 1.00 53.11 O ATOM 302 CB TYR A 19 -14.919 9.798 -0.387 1.00 32.33 C ATOM 303 CG TYR A 19 -16.176 9.435 -1.106 1.00 13.22 C ATOM 304 CD1 TYR A 19 -17.371 10.078 -0.835 1.00 24.31 C ATOM 305 CD2 TYR A 19 -16.164 8.449 -2.067 1.00 33.54 C ATOM 306 CE1 TYR A 19 -18.521 9.739 -1.511 1.00 64.21 C ATOM 307 CE2 TYR A 19 -17.296 8.107 -2.745 1.00 51.41 C ATOM 308 CZ TYR A 19 -18.475 8.751 -2.469 1.00 54.52 C ATOM 309 OH TYR A 19 -19.617 8.395 -3.142 1.00 22.25 O ATOM 0 H TYR A 19 -13.473 10.131 -2.573 1.00 32.14 H new ATOM 0 HA TYR A 19 -14.959 11.901 -0.760 1.00 44.31 H new ATOM 0 HB2 TYR A 19 -14.210 8.974 -0.469 1.00 32.33 H new ATOM 0 HB3 TYR A 19 -15.138 9.925 0.673 1.00 32.33 H new ATOM 0 HD1 TYR A 19 -17.402 10.854 -0.085 1.00 24.31 H new ATOM 0 HD2 TYR A 19 -15.239 7.936 -2.288 1.00 33.54 H new ATOM 0 HE1 TYR A 19 -19.451 10.243 -1.292 1.00 64.21 H new ATOM 0 HE2 TYR A 19 -17.265 7.332 -3.497 1.00 51.41 H new ATOM 0 HH TYR A 19 -19.410 7.684 -3.784 1.00 22.25 H new ATOM 319 N THR A 20 -13.119 11.963 0.931 1.00 74.15 N ATOM 320 CA THR A 20 -12.026 12.298 1.786 1.00 22.42 C ATOM 321 C THR A 20 -12.174 11.513 3.067 1.00 32.20 C ATOM 322 O THR A 20 -13.275 11.461 3.643 1.00 32.53 O ATOM 323 CB THR A 20 -11.999 13.824 2.073 1.00 44.05 C ATOM 324 OG1 THR A 20 -13.278 14.264 2.594 1.00 24.35 O ATOM 325 CG2 THR A 20 -11.681 14.601 0.804 1.00 50.33 C ATOM 0 H THR A 20 -14.025 12.262 1.291 1.00 74.15 H new ATOM 0 HA THR A 20 -11.083 12.044 1.302 1.00 22.42 H new ATOM 0 HB THR A 20 -11.222 14.013 2.814 1.00 44.05 H new ATOM 0 HG1 THR A 20 -13.754 13.500 2.980 1.00 24.35 H new ATOM 0 HG21 THR A 20 -11.666 15.668 1.025 1.00 50.33 H new ATOM 0 HG22 THR A 20 -10.706 14.296 0.425 1.00 50.33 H new ATOM 0 HG23 THR A 20 -12.443 14.397 0.052 1.00 50.33 H new ATOM 333 N MET A 21 -11.120 10.877 3.505 1.00 42.12 N ATOM 334 CA MET A 21 -11.205 10.043 4.669 1.00 2.24 C ATOM 335 C MET A 21 -9.829 9.827 5.245 1.00 74.54 C ATOM 336 O MET A 21 -8.851 9.837 4.518 1.00 53.32 O ATOM 337 CB MET A 21 -11.847 8.700 4.298 1.00 41.14 C ATOM 338 CG MET A 21 -12.116 7.788 5.474 1.00 54.13 C ATOM 339 SD MET A 21 -13.194 8.550 6.698 1.00 25.45 S ATOM 340 CE MET A 21 -13.351 7.210 7.868 1.00 23.15 C ATOM 0 H MET A 21 -10.197 10.921 3.074 1.00 42.12 H new ATOM 0 HA MET A 21 -11.825 10.533 5.420 1.00 2.24 H new ATOM 0 HB2 MET A 21 -12.787 8.892 3.780 1.00 41.14 H new ATOM 0 HB3 MET A 21 -11.195 8.182 3.594 1.00 41.14 H new ATOM 0 HG2 MET A 21 -12.571 6.864 5.117 1.00 54.13 H new ATOM 0 HG3 MET A 21 -11.171 7.517 5.944 1.00 54.13 H new ATOM 0 HE1 MET A 21 -14.227 7.376 8.496 1.00 23.15 H new ATOM 0 HE2 MET A 21 -13.463 6.269 7.330 1.00 23.15 H new ATOM 0 HE3 MET A 21 -12.459 7.167 8.493 1.00 23.15 H new ATOM 350 N LYS A 22 -9.763 9.651 6.539 1.00 21.33 N ATOM 351 CA LYS A 22 -8.511 9.414 7.210 1.00 35.22 C ATOM 352 C LYS A 22 -8.242 7.909 7.292 1.00 14.05 C ATOM 353 O LYS A 22 -9.152 7.113 7.593 1.00 12.30 O ATOM 354 CB LYS A 22 -8.456 10.082 8.610 1.00 3.20 C ATOM 355 CG LYS A 22 -8.359 11.629 8.611 1.00 13.11 C ATOM 356 CD LYS A 22 -9.562 12.323 7.969 1.00 43.22 C ATOM 357 CE LYS A 22 -9.404 13.837 7.989 1.00 33.14 C ATOM 358 NZ LYS A 22 -10.553 14.542 7.360 1.00 13.30 N ATOM 0 H LYS A 22 -10.574 9.668 7.157 1.00 21.33 H new ATOM 0 HA LYS A 22 -7.720 9.880 6.622 1.00 35.22 H new ATOM 0 HB2 LYS A 22 -9.347 9.791 9.167 1.00 3.20 H new ATOM 0 HB3 LYS A 22 -7.598 9.682 9.150 1.00 3.20 H new ATOM 0 HG2 LYS A 22 -8.257 11.977 9.639 1.00 13.11 H new ATOM 0 HG3 LYS A 22 -7.454 11.927 8.082 1.00 13.11 H new ATOM 0 HD2 LYS A 22 -9.675 11.981 6.940 1.00 43.22 H new ATOM 0 HD3 LYS A 22 -10.472 12.043 8.500 1.00 43.22 H new ATOM 0 HE2 LYS A 22 -9.297 14.174 9.020 1.00 33.14 H new ATOM 0 HE3 LYS A 22 -8.486 14.109 7.468 1.00 33.14 H new ATOM 0 HZ1 LYS A 22 -10.394 15.569 7.400 1.00 13.30 H new ATOM 0 HZ2 LYS A 22 -10.642 14.244 6.368 1.00 13.30 H new ATOM 0 HZ3 LYS A 22 -11.427 14.306 7.872 1.00 13.30 H new ATOM 372 N PRO A 23 -7.010 7.497 6.989 1.00 23.34 N ATOM 373 CA PRO A 23 -6.635 6.092 6.928 1.00 51.50 C ATOM 374 C PRO A 23 -6.613 5.424 8.292 1.00 24.43 C ATOM 375 O PRO A 23 -6.115 5.983 9.266 1.00 2.40 O ATOM 376 CB PRO A 23 -5.239 6.117 6.330 1.00 55.51 C ATOM 377 CG PRO A 23 -4.695 7.451 6.681 1.00 2.31 C ATOM 378 CD PRO A 23 -5.868 8.384 6.693 1.00 70.33 C ATOM 0 HA PRO A 23 -7.354 5.515 6.347 1.00 51.50 H new ATOM 0 HB2 PRO A 23 -4.620 5.318 6.739 1.00 55.51 H new ATOM 0 HB3 PRO A 23 -5.270 5.975 5.250 1.00 55.51 H new ATOM 0 HG2 PRO A 23 -4.204 7.429 7.654 1.00 2.31 H new ATOM 0 HG3 PRO A 23 -3.948 7.772 5.954 1.00 2.31 H new ATOM 0 HD2 PRO A 23 -5.756 9.160 7.450 1.00 70.33 H new ATOM 0 HD3 PRO A 23 -5.989 8.889 5.735 1.00 70.33 H new ATOM 386 N LYS A 24 -7.165 4.233 8.347 1.00 43.43 N ATOM 387 CA LYS A 24 -7.223 3.469 9.576 1.00 44.40 C ATOM 388 C LYS A 24 -6.548 2.124 9.391 1.00 71.24 C ATOM 389 O LYS A 24 -5.979 1.566 10.316 1.00 14.13 O ATOM 390 CB LYS A 24 -8.671 3.257 9.979 1.00 40.12 C ATOM 391 CG LYS A 24 -8.845 2.415 11.206 1.00 22.32 C ATOM 392 CD LYS A 24 -10.301 2.192 11.529 1.00 40.45 C ATOM 393 CE LYS A 24 -10.441 1.275 12.714 1.00 1.54 C ATOM 394 NZ LYS A 24 -11.851 0.979 13.036 1.00 3.02 N ATOM 0 H LYS A 24 -7.586 3.766 7.544 1.00 43.43 H new ATOM 0 HA LYS A 24 -6.703 4.023 10.358 1.00 44.40 H new ATOM 0 HB2 LYS A 24 -9.136 4.228 10.148 1.00 40.12 H new ATOM 0 HB3 LYS A 24 -9.203 2.789 9.151 1.00 40.12 H new ATOM 0 HG2 LYS A 24 -8.353 1.453 11.060 1.00 22.32 H new ATOM 0 HG3 LYS A 24 -8.355 2.898 12.051 1.00 22.32 H new ATOM 0 HD2 LYS A 24 -10.783 3.146 11.741 1.00 40.45 H new ATOM 0 HD3 LYS A 24 -10.810 1.762 10.666 1.00 40.45 H new ATOM 0 HE2 LYS A 24 -9.914 0.342 12.512 1.00 1.54 H new ATOM 0 HE3 LYS A 24 -9.962 1.730 13.581 1.00 1.54 H new ATOM 0 HZ1 LYS A 24 -11.893 0.344 13.859 1.00 3.02 H new ATOM 0 HZ2 LYS A 24 -12.350 1.864 13.256 1.00 3.02 H new ATOM 0 HZ3 LYS A 24 -12.304 0.519 12.221 1.00 3.02 H new ATOM 408 N TYR A 25 -6.652 1.594 8.212 1.00 23.35 N ATOM 409 CA TYR A 25 -6.047 0.331 7.915 1.00 14.04 C ATOM 410 C TYR A 25 -4.991 0.531 6.857 1.00 42.43 C ATOM 411 O TYR A 25 -4.791 1.650 6.382 1.00 62.21 O ATOM 412 CB TYR A 25 -7.081 -0.646 7.382 1.00 43.41 C ATOM 413 CG TYR A 25 -8.312 -0.840 8.238 1.00 31.32 C ATOM 414 CD1 TYR A 25 -8.312 -1.746 9.279 1.00 13.33 C ATOM 415 CD2 TYR A 25 -9.488 -0.112 7.991 1.00 33.43 C ATOM 416 CE1 TYR A 25 -9.430 -1.934 10.061 1.00 73.45 C ATOM 417 CE2 TYR A 25 -10.609 -0.298 8.771 1.00 24.42 C ATOM 418 CZ TYR A 25 -10.576 -1.209 9.806 1.00 64.25 C ATOM 419 OH TYR A 25 -11.690 -1.395 10.592 1.00 64.01 O ATOM 0 H TYR A 25 -7.154 2.020 7.433 1.00 23.35 H new ATOM 0 HA TYR A 25 -5.611 -0.071 8.829 1.00 14.04 H new ATOM 0 HB2 TYR A 25 -7.398 -0.307 6.396 1.00 43.41 H new ATOM 0 HB3 TYR A 25 -6.600 -1.615 7.246 1.00 43.41 H new ATOM 0 HD1 TYR A 25 -7.419 -2.318 9.484 1.00 13.33 H new ATOM 0 HD2 TYR A 25 -9.514 0.602 7.181 1.00 33.43 H new ATOM 0 HE1 TYR A 25 -9.410 -2.647 10.872 1.00 73.45 H new ATOM 0 HE2 TYR A 25 -11.508 0.266 8.573 1.00 24.42 H new ATOM 0 HH TYR A 25 -12.411 -0.808 10.282 1.00 64.01 H new ATOM 429 N ILE A 26 -4.331 -0.531 6.481 1.00 41.54 N ATOM 430 CA ILE A 26 -3.348 -0.500 5.417 1.00 25.44 C ATOM 431 C ILE A 26 -3.510 -1.766 4.589 1.00 51.05 C ATOM 432 O ILE A 26 -3.637 -2.841 5.134 1.00 71.15 O ATOM 433 CB ILE A 26 -1.884 -0.381 5.960 1.00 74.23 C ATOM 434 CG1 ILE A 26 -1.727 0.917 6.782 1.00 33.00 C ATOM 435 CG2 ILE A 26 -0.869 -0.422 4.815 1.00 72.03 C ATOM 436 CD1 ILE A 26 -0.358 1.143 7.373 1.00 12.10 C ATOM 0 H ILE A 26 -4.457 -1.451 6.903 1.00 41.54 H new ATOM 0 HA ILE A 26 -3.519 0.386 4.805 1.00 25.44 H new ATOM 0 HB ILE A 26 -1.687 -1.234 6.610 1.00 74.23 H new ATOM 0 HG12 ILE A 26 -1.973 1.765 6.143 1.00 33.00 H new ATOM 0 HG13 ILE A 26 -2.457 0.906 7.591 1.00 33.00 H new ATOM 0 HG21 ILE A 26 0.140 -0.338 5.220 1.00 72.03 H new ATOM 0 HG22 ILE A 26 -0.966 -1.365 4.276 1.00 72.03 H new ATOM 0 HG23 ILE A 26 -1.057 0.407 4.133 1.00 72.03 H new ATOM 0 HD11 ILE A 26 -0.352 2.080 7.930 1.00 12.10 H new ATOM 0 HD12 ILE A 26 -0.111 0.320 8.044 1.00 12.10 H new ATOM 0 HD13 ILE A 26 0.380 1.193 6.573 1.00 12.10 H new ATOM 448 N THR A 27 -3.548 -1.626 3.297 1.00 45.35 N ATOM 449 CA THR A 27 -3.743 -2.750 2.417 1.00 61.34 C ATOM 450 C THR A 27 -2.546 -2.914 1.487 1.00 25.02 C ATOM 451 O THR A 27 -2.220 -2.008 0.712 1.00 13.14 O ATOM 452 CB THR A 27 -5.022 -2.558 1.590 1.00 35.32 C ATOM 453 OG1 THR A 27 -6.100 -2.294 2.486 1.00 51.53 O ATOM 454 CG2 THR A 27 -5.339 -3.811 0.782 1.00 73.14 C ATOM 0 H THR A 27 -3.445 -0.731 2.819 1.00 45.35 H new ATOM 0 HA THR A 27 -3.841 -3.650 3.024 1.00 61.34 H new ATOM 0 HB THR A 27 -4.880 -1.729 0.897 1.00 35.32 H new ATOM 0 HG1 THR A 27 -6.887 -2.011 1.976 1.00 51.53 H new ATOM 0 HG21 THR A 27 -6.249 -3.651 0.204 1.00 73.14 H new ATOM 0 HG22 THR A 27 -4.513 -4.026 0.105 1.00 73.14 H new ATOM 0 HG23 THR A 27 -5.482 -4.654 1.458 1.00 73.14 H new ATOM 462 N VAL A 28 -1.908 -4.056 1.562 1.00 51.11 N ATOM 463 CA VAL A 28 -0.727 -4.342 0.767 1.00 43.54 C ATOM 464 C VAL A 28 -1.106 -5.156 -0.478 1.00 73.43 C ATOM 465 O VAL A 28 -1.982 -6.043 -0.423 1.00 30.14 O ATOM 466 CB VAL A 28 0.300 -5.132 1.608 1.00 50.43 C ATOM 467 CG1 VAL A 28 1.588 -5.375 0.831 1.00 53.11 C ATOM 468 CG2 VAL A 28 0.584 -4.400 2.904 1.00 41.21 C ATOM 0 H VAL A 28 -2.190 -4.820 2.177 1.00 51.11 H new ATOM 0 HA VAL A 28 -0.285 -3.397 0.453 1.00 43.54 H new ATOM 0 HB VAL A 28 -0.129 -6.107 1.840 1.00 50.43 H new ATOM 0 HG11 VAL A 28 2.288 -5.933 1.453 1.00 53.11 H new ATOM 0 HG12 VAL A 28 1.367 -5.947 -0.070 1.00 53.11 H new ATOM 0 HG13 VAL A 28 2.032 -4.419 0.554 1.00 53.11 H new ATOM 0 HG21 VAL A 28 1.309 -4.965 3.490 1.00 41.21 H new ATOM 0 HG22 VAL A 28 0.987 -3.412 2.683 1.00 41.21 H new ATOM 0 HG23 VAL A 28 -0.340 -4.296 3.473 1.00 41.21 H new ATOM 478 N HIS A 29 -0.497 -4.828 -1.601 1.00 3.12 N ATOM 479 CA HIS A 29 -0.714 -5.542 -2.853 1.00 0.14 C ATOM 480 C HIS A 29 0.692 -5.820 -3.430 1.00 62.13 C ATOM 481 O HIS A 29 1.629 -5.052 -3.174 1.00 21.24 O ATOM 482 CB HIS A 29 -1.547 -4.672 -3.897 1.00 63.50 C ATOM 483 CG HIS A 29 -2.783 -3.935 -3.338 1.00 21.42 C ATOM 484 ND1 HIS A 29 -4.163 -4.116 -3.758 1.00 2.21 N ATOM 485 CD2 HIS A 29 -2.822 -2.962 -2.392 1.00 30.15 C ATOM 486 CE1 HIS A 29 -4.884 -3.246 -3.034 1.00 61.43 C ATOM 487 NE2 HIS A 29 -4.109 -2.563 -2.221 1.00 23.34 N ATOM 0 H HIS A 29 0.166 -4.056 -1.675 1.00 3.12 H new ATOM 0 HA HIS A 29 -1.285 -6.453 -2.673 1.00 0.14 H new ATOM 0 HB2 HIS A 29 -0.878 -3.933 -4.338 1.00 63.50 H new ATOM 0 HB3 HIS A 29 -1.875 -5.327 -4.704 1.00 63.50 H new ATOM 0 HD2 HIS A 29 -1.968 -2.569 -1.861 1.00 30.15 H new ATOM 0 HE1 HIS A 29 -5.954 -3.124 -3.109 1.00 61.43 H new ATOM 0 HE2 HIS A 29 -4.424 -1.847 -1.566 1.00 23.34 H new ATOM 495 N ASN A 30 0.844 -6.900 -4.147 1.00 41.11 N ATOM 496 CA ASN A 30 2.118 -7.246 -4.795 1.00 4.45 C ATOM 497 C ASN A 30 1.930 -7.094 -6.287 1.00 34.02 C ATOM 498 O ASN A 30 0.836 -7.354 -6.795 1.00 1.30 O ATOM 499 CB ASN A 30 2.571 -8.705 -4.495 1.00 31.53 C ATOM 500 CG ASN A 30 3.115 -9.015 -3.080 1.00 3.43 C ATOM 501 OD1 ASN A 30 2.935 -10.126 -2.578 1.00 21.22 O ATOM 502 ND2 ASN A 30 3.831 -8.103 -2.472 1.00 20.34 N ATOM 0 H ASN A 30 0.099 -7.577 -4.310 1.00 41.11 H new ATOM 0 HA ASN A 30 2.890 -6.583 -4.405 1.00 4.45 H new ATOM 0 HB2 ASN A 30 1.722 -9.364 -4.679 1.00 31.53 H new ATOM 0 HB3 ASN A 30 3.344 -8.971 -5.217 1.00 31.53 H new ATOM 0 HD21 ASN A 30 4.252 -8.306 -1.565 1.00 20.34 H new ATOM 0 HD22 ASN A 30 3.968 -7.190 -2.905 1.00 20.34 H new ATOM 509 N THR A 31 2.964 -6.689 -6.993 1.00 64.54 N ATOM 510 CA THR A 31 2.849 -6.473 -8.413 1.00 31.14 C ATOM 511 C THR A 31 3.102 -7.732 -9.224 1.00 13.04 C ATOM 512 O THR A 31 4.066 -8.462 -8.994 1.00 50.03 O ATOM 513 CB THR A 31 3.786 -5.353 -8.893 1.00 34.11 C ATOM 514 OG1 THR A 31 5.086 -5.537 -8.311 1.00 14.43 O ATOM 515 CG2 THR A 31 3.242 -3.975 -8.547 1.00 50.22 C ATOM 0 H THR A 31 3.889 -6.504 -6.605 1.00 64.54 H new ATOM 0 HA THR A 31 1.815 -6.171 -8.581 1.00 31.14 H new ATOM 0 HB THR A 31 3.857 -5.409 -9.979 1.00 34.11 H new ATOM 0 HG1 THR A 31 5.063 -5.271 -7.368 1.00 14.43 H new ATOM 0 HG21 THR A 31 3.933 -3.211 -8.903 1.00 50.22 H new ATOM 0 HG22 THR A 31 2.271 -3.837 -9.023 1.00 50.22 H new ATOM 0 HG23 THR A 31 3.131 -3.888 -7.466 1.00 50.22 H new ATOM 523 N TYR A 32 2.234 -7.965 -10.175 1.00 54.24 N ATOM 524 CA TYR A 32 2.363 -9.069 -11.103 1.00 63.31 C ATOM 525 C TYR A 32 3.353 -8.733 -12.202 1.00 0.21 C ATOM 526 O TYR A 32 3.676 -9.561 -13.060 1.00 11.21 O ATOM 527 CB TYR A 32 1.007 -9.501 -11.657 1.00 51.23 C ATOM 528 CG TYR A 32 0.154 -10.224 -10.638 1.00 44.45 C ATOM 529 CD1 TYR A 32 -0.606 -9.538 -9.694 1.00 64.40 C ATOM 530 CD2 TYR A 32 0.122 -11.607 -10.621 1.00 71.14 C ATOM 531 CE1 TYR A 32 -1.367 -10.223 -8.763 1.00 1.41 C ATOM 532 CE2 TYR A 32 -0.633 -12.293 -9.704 1.00 52.53 C ATOM 533 CZ TYR A 32 -1.373 -11.604 -8.777 1.00 71.35 C ATOM 534 OH TYR A 32 -2.126 -12.306 -7.858 1.00 2.21 O ATOM 0 H TYR A 32 1.407 -7.389 -10.332 1.00 54.24 H new ATOM 0 HA TYR A 32 2.759 -9.926 -10.558 1.00 63.31 H new ATOM 0 HB2 TYR A 32 0.470 -8.622 -12.014 1.00 51.23 H new ATOM 0 HB3 TYR A 32 1.163 -10.151 -12.518 1.00 51.23 H new ATOM 0 HD1 TYR A 32 -0.601 -8.458 -9.688 1.00 64.40 H new ATOM 0 HD2 TYR A 32 0.704 -12.158 -11.345 1.00 71.14 H new ATOM 0 HE1 TYR A 32 -1.951 -9.683 -8.032 1.00 1.41 H new ATOM 0 HE2 TYR A 32 -0.645 -13.373 -9.712 1.00 52.53 H new ATOM 0 HH TYR A 32 -2.644 -11.678 -7.312 1.00 2.21 H new ATOM 544 N ASN A 33 3.810 -7.513 -12.185 1.00 42.50 N ATOM 545 CA ASN A 33 4.788 -7.015 -13.122 1.00 50.33 C ATOM 546 C ASN A 33 5.968 -6.430 -12.371 1.00 64.40 C ATOM 547 O ASN A 33 5.953 -6.326 -11.145 1.00 3.31 O ATOM 548 CB ASN A 33 4.168 -5.933 -14.029 1.00 14.35 C ATOM 549 CG ASN A 33 3.669 -4.707 -13.236 1.00 24.13 C ATOM 550 OD1 ASN A 33 3.257 -4.820 -12.080 1.00 3.44 O ATOM 551 ND2 ASN A 33 3.710 -3.547 -13.840 1.00 52.45 N ATOM 0 H ASN A 33 3.508 -6.817 -11.504 1.00 42.50 H new ATOM 0 HA ASN A 33 5.125 -7.845 -13.744 1.00 50.33 H new ATOM 0 HB2 ASN A 33 4.908 -5.610 -14.761 1.00 14.35 H new ATOM 0 HB3 ASN A 33 3.336 -6.364 -14.586 1.00 14.35 H new ATOM 0 HD21 ASN A 33 3.396 -2.707 -13.353 1.00 52.45 H new ATOM 0 HD22 ASN A 33 4.056 -3.482 -14.797 1.00 52.45 H new ATOM 558 N ASP A 34 6.997 -6.095 -13.097 1.00 73.51 N ATOM 559 CA ASP A 34 8.124 -5.423 -12.523 1.00 23.24 C ATOM 560 C ASP A 34 8.272 -4.090 -13.196 1.00 74.21 C ATOM 561 O ASP A 34 8.218 -3.991 -14.443 1.00 33.12 O ATOM 562 CB ASP A 34 9.425 -6.245 -12.611 1.00 62.25 C ATOM 563 CG ASP A 34 10.020 -6.410 -13.994 1.00 70.30 C ATOM 564 OD1 ASP A 34 9.607 -7.324 -14.734 1.00 21.10 O ATOM 565 OD2 ASP A 34 10.941 -5.641 -14.341 1.00 42.43 O ATOM 0 H ASP A 34 7.077 -6.279 -14.097 1.00 73.51 H new ATOM 0 HA ASP A 34 7.941 -5.289 -11.457 1.00 23.24 H new ATOM 0 HB2 ASP A 34 10.171 -5.774 -11.971 1.00 62.25 H new ATOM 0 HB3 ASP A 34 9.232 -7.236 -12.201 1.00 62.25 H new ATOM 570 N ALA A 35 8.396 -3.064 -12.394 1.00 44.14 N ATOM 571 CA ALA A 35 8.506 -1.704 -12.856 1.00 74.33 C ATOM 572 C ALA A 35 8.850 -0.835 -11.684 1.00 22.11 C ATOM 573 O ALA A 35 8.562 -1.216 -10.555 1.00 50.41 O ATOM 574 CB ALA A 35 7.176 -1.245 -13.434 1.00 64.05 C ATOM 0 H ALA A 35 8.424 -3.153 -11.378 1.00 44.14 H new ATOM 0 HA ALA A 35 9.275 -1.637 -13.626 1.00 74.33 H new ATOM 0 HB1 ALA A 35 7.266 -0.216 -13.781 1.00 64.05 H new ATOM 0 HB2 ALA A 35 6.902 -1.888 -14.270 1.00 64.05 H new ATOM 0 HB3 ALA A 35 6.406 -1.302 -12.665 1.00 64.05 H new ATOM 580 N PRO A 36 9.499 0.311 -11.912 1.00 62.21 N ATOM 581 CA PRO A 36 9.769 1.257 -10.859 1.00 21.30 C ATOM 582 C PRO A 36 8.474 1.863 -10.363 1.00 13.04 C ATOM 583 O PRO A 36 7.525 2.055 -11.144 1.00 61.22 O ATOM 584 CB PRO A 36 10.648 2.330 -11.500 1.00 4.50 C ATOM 585 CG PRO A 36 10.524 2.147 -12.960 1.00 10.50 C ATOM 586 CD PRO A 36 10.020 0.755 -13.205 1.00 4.30 C ATOM 0 HA PRO A 36 10.256 0.792 -10.002 1.00 21.30 H new ATOM 0 HB2 PRO A 36 10.323 3.327 -11.204 1.00 4.50 H new ATOM 0 HB3 PRO A 36 11.685 2.225 -11.181 1.00 4.50 H new ATOM 0 HG2 PRO A 36 9.837 2.882 -13.380 1.00 10.50 H new ATOM 0 HG3 PRO A 36 11.488 2.296 -13.447 1.00 10.50 H new ATOM 0 HD2 PRO A 36 9.243 0.745 -13.969 1.00 4.30 H new ATOM 0 HD3 PRO A 36 10.819 0.101 -13.555 1.00 4.30 H new ATOM 594 N ALA A 37 8.433 2.158 -9.101 1.00 42.03 N ATOM 595 CA ALA A 37 7.257 2.681 -8.437 1.00 12.33 C ATOM 596 C ALA A 37 6.780 3.972 -9.092 1.00 23.00 C ATOM 597 O ALA A 37 5.583 4.228 -9.165 1.00 21.53 O ATOM 598 CB ALA A 37 7.549 2.885 -6.958 1.00 43.20 C ATOM 0 H ALA A 37 9.233 2.042 -8.479 1.00 42.03 H new ATOM 0 HA ALA A 37 6.449 1.956 -8.535 1.00 12.33 H new ATOM 0 HB1 ALA A 37 6.661 3.279 -6.463 1.00 43.20 H new ATOM 0 HB2 ALA A 37 7.824 1.932 -6.507 1.00 43.20 H new ATOM 0 HB3 ALA A 37 8.371 3.591 -6.844 1.00 43.20 H new ATOM 604 N GLU A 38 7.719 4.762 -9.609 1.00 24.44 N ATOM 605 CA GLU A 38 7.380 5.997 -10.308 1.00 33.33 C ATOM 606 C GLU A 38 6.508 5.695 -11.525 1.00 14.10 C ATOM 607 O GLU A 38 5.545 6.427 -11.824 1.00 62.23 O ATOM 608 CB GLU A 38 8.645 6.785 -10.709 1.00 62.01 C ATOM 609 CG GLU A 38 8.350 8.026 -11.533 1.00 52.20 C ATOM 610 CD GLU A 38 9.581 8.794 -11.894 1.00 10.04 C ATOM 611 OE1 GLU A 38 10.248 8.442 -12.886 1.00 3.13 O ATOM 612 OE2 GLU A 38 9.893 9.782 -11.202 1.00 20.13 O ATOM 0 H GLU A 38 8.719 4.568 -9.556 1.00 24.44 H new ATOM 0 HA GLU A 38 6.811 6.628 -9.625 1.00 33.33 H new ATOM 0 HB2 GLU A 38 9.183 7.077 -9.807 1.00 62.01 H new ATOM 0 HB3 GLU A 38 9.306 6.130 -11.277 1.00 62.01 H new ATOM 0 HG2 GLU A 38 7.830 7.734 -12.445 1.00 52.20 H new ATOM 0 HG3 GLU A 38 7.675 8.674 -10.974 1.00 52.20 H new ATOM 619 N ASN A 39 6.815 4.603 -12.190 1.00 51.01 N ATOM 620 CA ASN A 39 6.054 4.181 -13.342 1.00 44.41 C ATOM 621 C ASN A 39 4.717 3.627 -12.945 1.00 52.33 C ATOM 622 O ASN A 39 3.715 3.890 -13.608 1.00 41.23 O ATOM 623 CB ASN A 39 6.824 3.191 -14.234 1.00 61.52 C ATOM 624 CG ASN A 39 7.893 3.865 -15.063 1.00 53.11 C ATOM 625 OD1 ASN A 39 7.787 5.042 -15.384 1.00 42.15 O ATOM 626 ND2 ASN A 39 8.885 3.125 -15.470 1.00 22.40 N ATOM 0 H ASN A 39 7.592 3.988 -11.949 1.00 51.01 H new ATOM 0 HA ASN A 39 5.884 5.075 -13.942 1.00 44.41 H new ATOM 0 HB2 ASN A 39 7.283 2.426 -13.608 1.00 61.52 H new ATOM 0 HB3 ASN A 39 6.123 2.683 -14.896 1.00 61.52 H new ATOM 0 HD21 ASN A 39 9.604 3.523 -16.075 1.00 22.40 H new ATOM 0 HD22 ASN A 39 8.943 2.148 -15.184 1.00 22.40 H new ATOM 633 N GLU A 40 4.673 2.915 -11.835 1.00 31.01 N ATOM 634 CA GLU A 40 3.426 2.312 -11.396 1.00 11.14 C ATOM 635 C GLU A 40 2.460 3.351 -10.855 1.00 43.45 C ATOM 636 O GLU A 40 1.243 3.206 -10.988 1.00 41.51 O ATOM 637 CB GLU A 40 3.656 1.170 -10.410 1.00 20.24 C ATOM 638 CG GLU A 40 4.340 -0.038 -11.039 1.00 25.42 C ATOM 639 CD GLU A 40 3.532 -0.622 -12.190 1.00 20.21 C ATOM 640 OE1 GLU A 40 2.622 -1.445 -11.942 1.00 51.03 O ATOM 641 OE2 GLU A 40 3.785 -0.266 -13.359 1.00 25.30 O ATOM 0 H GLU A 40 5.473 2.741 -11.227 1.00 31.01 H new ATOM 0 HA GLU A 40 2.958 1.871 -12.276 1.00 11.14 H new ATOM 0 HB2 GLU A 40 4.263 1.532 -9.580 1.00 20.24 H new ATOM 0 HB3 GLU A 40 2.698 0.860 -9.993 1.00 20.24 H new ATOM 0 HG2 GLU A 40 5.326 0.253 -11.400 1.00 25.42 H new ATOM 0 HG3 GLU A 40 4.492 -0.804 -10.279 1.00 25.42 H new ATOM 648 N VAL A 41 2.995 4.403 -10.271 1.00 2.41 N ATOM 649 CA VAL A 41 2.171 5.499 -9.784 1.00 52.25 C ATOM 650 C VAL A 41 1.609 6.291 -10.947 1.00 61.25 C ATOM 651 O VAL A 41 0.400 6.530 -11.010 1.00 73.21 O ATOM 652 CB VAL A 41 2.937 6.429 -8.815 1.00 53.21 C ATOM 653 CG1 VAL A 41 2.093 7.640 -8.451 1.00 63.31 C ATOM 654 CG2 VAL A 41 3.293 5.665 -7.562 1.00 31.44 C ATOM 0 H VAL A 41 3.996 4.526 -10.120 1.00 2.41 H new ATOM 0 HA VAL A 41 1.350 5.058 -9.219 1.00 52.25 H new ATOM 0 HB VAL A 41 3.845 6.775 -9.308 1.00 53.21 H new ATOM 0 HG11 VAL A 41 2.651 8.281 -7.768 1.00 63.31 H new ATOM 0 HG12 VAL A 41 1.849 8.198 -9.355 1.00 63.31 H new ATOM 0 HG13 VAL A 41 1.173 7.310 -7.968 1.00 63.31 H new ATOM 0 HG21 VAL A 41 3.833 6.319 -6.878 1.00 31.44 H new ATOM 0 HG22 VAL A 41 2.382 5.310 -7.081 1.00 31.44 H new ATOM 0 HG23 VAL A 41 3.922 4.813 -7.821 1.00 31.44 H new ATOM 664 N SER A 42 2.480 6.675 -11.876 1.00 62.21 N ATOM 665 CA SER A 42 2.064 7.402 -13.068 1.00 21.42 C ATOM 666 C SER A 42 1.013 6.597 -13.850 1.00 42.45 C ATOM 667 O SER A 42 0.073 7.158 -14.409 1.00 30.23 O ATOM 668 CB SER A 42 3.282 7.703 -13.933 1.00 32.31 C ATOM 669 OG SER A 42 4.253 8.436 -13.180 1.00 15.42 O ATOM 0 H SER A 42 3.482 6.493 -11.824 1.00 62.21 H new ATOM 0 HA SER A 42 1.605 8.346 -12.773 1.00 21.42 H new ATOM 0 HB2 SER A 42 3.719 6.772 -14.295 1.00 32.31 H new ATOM 0 HB3 SER A 42 2.982 8.277 -14.810 1.00 32.31 H new ATOM 0 HG SER A 42 4.755 7.820 -12.606 1.00 15.42 H new ATOM 675 N TYR A 43 1.181 5.281 -13.853 1.00 53.12 N ATOM 676 CA TYR A 43 0.233 4.371 -14.464 1.00 2.30 C ATOM 677 C TYR A 43 -1.102 4.446 -13.715 1.00 33.20 C ATOM 678 O TYR A 43 -2.143 4.725 -14.303 1.00 72.45 O ATOM 679 CB TYR A 43 0.812 2.938 -14.377 1.00 23.10 C ATOM 680 CG TYR A 43 -0.081 1.814 -14.871 1.00 11.41 C ATOM 681 CD1 TYR A 43 -0.971 1.183 -14.006 1.00 53.35 C ATOM 682 CD2 TYR A 43 -0.019 1.370 -16.184 1.00 63.05 C ATOM 683 CE1 TYR A 43 -1.772 0.153 -14.433 1.00 24.02 C ATOM 684 CE2 TYR A 43 -0.821 0.331 -16.621 1.00 44.01 C ATOM 685 CZ TYR A 43 -1.697 -0.272 -15.737 1.00 12.50 C ATOM 686 OH TYR A 43 -2.500 -1.306 -16.162 1.00 70.21 O ATOM 0 H TYR A 43 1.984 4.817 -13.428 1.00 53.12 H new ATOM 0 HA TYR A 43 0.063 4.639 -15.507 1.00 2.30 H new ATOM 0 HB2 TYR A 43 1.741 2.911 -14.946 1.00 23.10 H new ATOM 0 HB3 TYR A 43 1.069 2.737 -13.337 1.00 23.10 H new ATOM 0 HD1 TYR A 43 -1.032 1.510 -12.979 1.00 53.35 H new ATOM 0 HD2 TYR A 43 0.665 1.842 -16.874 1.00 63.05 H new ATOM 0 HE1 TYR A 43 -2.458 -0.321 -13.747 1.00 24.02 H new ATOM 0 HE2 TYR A 43 -0.763 -0.007 -17.645 1.00 44.01 H new ATOM 0 HH TYR A 43 -2.328 -1.486 -17.110 1.00 70.21 H new ATOM 696 N MET A 44 -1.037 4.261 -12.398 1.00 5.42 N ATOM 697 CA MET A 44 -2.206 4.219 -11.538 1.00 25.42 C ATOM 698 C MET A 44 -3.044 5.491 -11.613 1.00 40.23 C ATOM 699 O MET A 44 -4.267 5.425 -11.836 1.00 44.34 O ATOM 700 CB MET A 44 -1.790 3.850 -10.099 1.00 22.11 C ATOM 701 CG MET A 44 -2.916 3.780 -9.064 1.00 4.12 C ATOM 702 SD MET A 44 -3.461 5.389 -8.442 1.00 13.14 S ATOM 703 CE MET A 44 -1.962 5.951 -7.615 1.00 72.52 C ATOM 0 H MET A 44 -0.157 4.135 -11.897 1.00 5.42 H new ATOM 0 HA MET A 44 -2.867 3.434 -11.905 1.00 25.42 H new ATOM 0 HB2 MET A 44 -1.289 2.882 -10.125 1.00 22.11 H new ATOM 0 HB3 MET A 44 -1.056 4.580 -9.757 1.00 22.11 H new ATOM 0 HG2 MET A 44 -3.770 3.268 -9.508 1.00 4.12 H new ATOM 0 HG3 MET A 44 -2.582 3.173 -8.222 1.00 4.12 H new ATOM 0 HE1 MET A 44 -2.124 6.949 -7.208 1.00 72.52 H new ATOM 0 HE2 MET A 44 -1.714 5.265 -6.806 1.00 72.52 H new ATOM 0 HE3 MET A 44 -1.141 5.980 -8.331 1.00 72.52 H new ATOM 713 N ILE A 45 -2.399 6.634 -11.501 1.00 33.23 N ATOM 714 CA ILE A 45 -3.102 7.910 -11.511 1.00 20.23 C ATOM 715 C ILE A 45 -3.697 8.242 -12.878 1.00 42.05 C ATOM 716 O ILE A 45 -4.538 9.123 -12.975 1.00 12.21 O ATOM 717 CB ILE A 45 -2.228 9.100 -11.028 1.00 22.53 C ATOM 718 CG1 ILE A 45 -0.995 9.282 -11.925 1.00 63.15 C ATOM 719 CG2 ILE A 45 -1.822 8.917 -9.571 1.00 31.33 C ATOM 720 CD1 ILE A 45 -0.112 10.446 -11.528 1.00 65.33 C ATOM 0 H ILE A 45 -1.387 6.710 -11.402 1.00 33.23 H new ATOM 0 HA ILE A 45 -3.914 7.777 -10.796 1.00 20.23 H new ATOM 0 HB ILE A 45 -2.827 10.008 -11.100 1.00 22.53 H new ATOM 0 HG12 ILE A 45 -0.404 8.367 -11.903 1.00 63.15 H new ATOM 0 HG13 ILE A 45 -1.325 9.424 -12.954 1.00 63.15 H new ATOM 0 HG21 ILE A 45 -1.211 9.762 -9.255 1.00 31.33 H new ATOM 0 HG22 ILE A 45 -2.715 8.862 -8.949 1.00 31.33 H new ATOM 0 HG23 ILE A 45 -1.249 7.996 -9.466 1.00 31.33 H new ATOM 0 HD11 ILE A 45 0.737 10.508 -12.209 1.00 65.33 H new ATOM 0 HD12 ILE A 45 -0.686 11.371 -11.578 1.00 65.33 H new ATOM 0 HD13 ILE A 45 0.250 10.298 -10.510 1.00 65.33 H new ATOM 732 N SER A 46 -3.284 7.527 -13.907 1.00 14.15 N ATOM 733 CA SER A 46 -3.755 7.780 -15.253 1.00 52.24 C ATOM 734 C SER A 46 -4.873 6.806 -15.700 1.00 73.53 C ATOM 735 O SER A 46 -5.411 6.931 -16.805 1.00 71.33 O ATOM 736 CB SER A 46 -2.586 7.731 -16.213 1.00 34.30 C ATOM 737 OG SER A 46 -1.618 8.720 -15.871 1.00 71.13 O ATOM 0 H SER A 46 -2.617 6.759 -13.833 1.00 14.15 H new ATOM 0 HA SER A 46 -4.202 8.774 -15.261 1.00 52.24 H new ATOM 0 HB2 SER A 46 -2.129 6.742 -16.188 1.00 34.30 H new ATOM 0 HB3 SER A 46 -2.937 7.894 -17.232 1.00 34.30 H new ATOM 0 HG SER A 46 -0.852 8.291 -15.435 1.00 71.13 H new ATOM 743 N ASN A 47 -5.215 5.856 -14.845 1.00 64.22 N ATOM 744 CA ASN A 47 -6.286 4.866 -15.158 1.00 32.13 C ATOM 745 C ASN A 47 -7.695 5.468 -15.239 1.00 55.40 C ATOM 746 O ASN A 47 -8.270 5.577 -16.315 1.00 0.11 O ATOM 747 CB ASN A 47 -6.328 3.685 -14.158 1.00 61.45 C ATOM 748 CG ASN A 47 -5.204 2.694 -14.301 1.00 44.22 C ATOM 749 OD1 ASN A 47 -5.298 1.746 -15.057 1.00 1.13 O ATOM 750 ND2 ASN A 47 -4.169 2.879 -13.562 1.00 0.20 N ATOM 0 H ASN A 47 -4.782 5.732 -13.930 1.00 64.22 H new ATOM 0 HA ASN A 47 -6.006 4.505 -16.147 1.00 32.13 H new ATOM 0 HB2 ASN A 47 -6.313 4.085 -13.144 1.00 61.45 H new ATOM 0 HB3 ASN A 47 -7.275 3.159 -14.279 1.00 61.45 H new ATOM 0 HD21 ASN A 47 -3.392 2.219 -13.598 1.00 0.20 H new ATOM 0 HD22 ASN A 47 -4.125 3.686 -12.939 1.00 0.20 H new ATOM 757 N ASN A 48 -8.223 5.861 -14.069 1.00 60.51 N ATOM 758 CA ASN A 48 -9.656 6.291 -13.883 1.00 30.21 C ATOM 759 C ASN A 48 -10.563 5.091 -13.768 1.00 54.34 C ATOM 760 O ASN A 48 -11.782 5.187 -13.913 1.00 3.31 O ATOM 761 CB ASN A 48 -10.197 7.317 -14.924 1.00 44.11 C ATOM 762 CG ASN A 48 -9.654 8.720 -14.724 1.00 41.34 C ATOM 763 OD1 ASN A 48 -9.316 9.114 -13.598 1.00 23.13 O ATOM 764 ND2 ASN A 48 -9.583 9.487 -15.783 1.00 21.22 N ATOM 0 H ASN A 48 -7.680 5.897 -13.207 1.00 60.51 H new ATOM 0 HA ASN A 48 -9.659 6.845 -12.944 1.00 30.21 H new ATOM 0 HB2 ASN A 48 -9.941 6.976 -15.927 1.00 44.11 H new ATOM 0 HB3 ASN A 48 -11.285 7.344 -14.865 1.00 44.11 H new ATOM 0 HD21 ASN A 48 -9.240 10.444 -15.698 1.00 21.22 H new ATOM 0 HD22 ASN A 48 -9.870 9.127 -16.693 1.00 21.22 H new ATOM 771 N ASN A 49 -9.949 3.972 -13.451 1.00 55.44 N ATOM 772 CA ASN A 49 -10.642 2.710 -13.234 1.00 32.25 C ATOM 773 C ASN A 49 -11.233 2.690 -11.826 1.00 14.21 C ATOM 774 O ASN A 49 -11.325 3.728 -11.164 1.00 74.43 O ATOM 775 CB ASN A 49 -9.662 1.523 -13.395 1.00 53.24 C ATOM 776 CG ASN A 49 -9.060 1.386 -14.787 1.00 50.45 C ATOM 777 OD1 ASN A 49 -8.874 2.362 -15.507 1.00 61.34 O ATOM 778 ND2 ASN A 49 -8.753 0.178 -15.172 1.00 52.33 N ATOM 0 H ASN A 49 -8.938 3.907 -13.334 1.00 55.44 H new ATOM 0 HA ASN A 49 -11.439 2.614 -13.972 1.00 32.25 H new ATOM 0 HB2 ASN A 49 -8.853 1.635 -12.673 1.00 53.24 H new ATOM 0 HB3 ASN A 49 -10.185 0.600 -13.147 1.00 53.24 H new ATOM 0 HD21 ASN A 49 -8.346 0.025 -16.095 1.00 52.33 H new ATOM 0 HD22 ASN A 49 -8.920 -0.613 -14.550 1.00 52.33 H new ATOM 785 N GLU A 50 -11.604 1.520 -11.360 1.00 62.41 N ATOM 786 CA GLU A 50 -12.191 1.372 -10.040 1.00 34.33 C ATOM 787 C GLU A 50 -11.121 0.970 -9.033 1.00 15.42 C ATOM 788 O GLU A 50 -11.429 0.514 -7.926 1.00 63.00 O ATOM 789 CB GLU A 50 -13.342 0.330 -10.039 1.00 1.05 C ATOM 790 CG GLU A 50 -12.950 -1.129 -10.349 1.00 63.21 C ATOM 791 CD GLU A 50 -12.421 -1.337 -11.740 1.00 74.33 C ATOM 792 OE1 GLU A 50 -11.211 -1.160 -11.955 1.00 4.02 O ATOM 793 OE2 GLU A 50 -13.204 -1.672 -12.640 1.00 25.10 O ATOM 0 H GLU A 50 -11.510 0.646 -11.878 1.00 62.41 H new ATOM 0 HA GLU A 50 -12.613 2.335 -9.754 1.00 34.33 H new ATOM 0 HB2 GLU A 50 -13.823 0.354 -9.061 1.00 1.05 H new ATOM 0 HB3 GLU A 50 -14.088 0.645 -10.769 1.00 1.05 H new ATOM 0 HG2 GLU A 50 -12.195 -1.452 -9.632 1.00 63.21 H new ATOM 0 HG3 GLU A 50 -13.821 -1.767 -10.203 1.00 63.21 H new ATOM 800 N VAL A 51 -9.874 1.160 -9.406 1.00 1.53 N ATOM 801 CA VAL A 51 -8.773 0.806 -8.552 1.00 35.22 C ATOM 802 C VAL A 51 -7.696 1.899 -8.559 1.00 23.10 C ATOM 803 O VAL A 51 -7.348 2.462 -9.612 1.00 23.35 O ATOM 804 CB VAL A 51 -8.168 -0.584 -8.942 1.00 43.50 C ATOM 805 CG1 VAL A 51 -7.639 -0.589 -10.371 1.00 43.02 C ATOM 806 CG2 VAL A 51 -7.091 -1.019 -7.955 1.00 73.42 C ATOM 0 H VAL A 51 -9.601 1.561 -10.303 1.00 1.53 H new ATOM 0 HA VAL A 51 -9.159 0.721 -7.536 1.00 35.22 H new ATOM 0 HB VAL A 51 -8.978 -1.312 -8.892 1.00 43.50 H new ATOM 0 HG11 VAL A 51 -7.227 -1.571 -10.603 1.00 43.02 H new ATOM 0 HG12 VAL A 51 -8.452 -0.364 -11.061 1.00 43.02 H new ATOM 0 HG13 VAL A 51 -6.858 0.165 -10.473 1.00 43.02 H new ATOM 0 HG21 VAL A 51 -6.692 -1.988 -8.255 1.00 73.42 H new ATOM 0 HG22 VAL A 51 -6.287 -0.283 -7.946 1.00 73.42 H new ATOM 0 HG23 VAL A 51 -7.522 -1.098 -6.957 1.00 73.42 H new ATOM 816 N SER A 52 -7.250 2.244 -7.387 1.00 23.32 N ATOM 817 CA SER A 52 -6.189 3.192 -7.163 1.00 63.12 C ATOM 818 C SER A 52 -5.398 2.759 -5.915 1.00 52.30 C ATOM 819 O SER A 52 -5.777 1.795 -5.254 1.00 30.25 O ATOM 820 CB SER A 52 -6.779 4.598 -6.993 1.00 64.42 C ATOM 821 OG SER A 52 -7.529 4.953 -8.151 1.00 3.30 O ATOM 0 H SER A 52 -7.629 1.858 -6.522 1.00 23.32 H new ATOM 0 HA SER A 52 -5.512 3.218 -8.017 1.00 63.12 H new ATOM 0 HB2 SER A 52 -7.419 4.629 -6.111 1.00 64.42 H new ATOM 0 HB3 SER A 52 -5.979 5.320 -6.832 1.00 64.42 H new ATOM 0 HG SER A 52 -8.413 5.279 -7.881 1.00 3.30 H new ATOM 827 N PHE A 53 -4.312 3.434 -5.608 1.00 34.23 N ATOM 828 CA PHE A 53 -3.553 3.129 -4.411 1.00 64.52 C ATOM 829 C PHE A 53 -2.864 4.380 -3.917 1.00 72.40 C ATOM 830 O PHE A 53 -2.812 5.359 -4.626 1.00 20.45 O ATOM 831 CB PHE A 53 -2.527 1.975 -4.625 1.00 51.31 C ATOM 832 CG PHE A 53 -1.435 2.242 -5.631 1.00 45.31 C ATOM 833 CD1 PHE A 53 -0.453 3.169 -5.360 1.00 34.33 C ATOM 834 CD2 PHE A 53 -1.384 1.556 -6.830 1.00 32.45 C ATOM 835 CE1 PHE A 53 0.544 3.422 -6.237 1.00 32.22 C ATOM 836 CE2 PHE A 53 -0.370 1.803 -7.737 1.00 0.03 C ATOM 837 CZ PHE A 53 0.599 2.741 -7.440 1.00 11.05 C ATOM 0 H PHE A 53 -3.933 4.197 -6.169 1.00 34.23 H new ATOM 0 HA PHE A 53 -4.254 2.775 -3.656 1.00 64.52 H new ATOM 0 HB2 PHE A 53 -2.063 1.745 -3.666 1.00 51.31 H new ATOM 0 HB3 PHE A 53 -3.072 1.084 -4.937 1.00 51.31 H new ATOM 0 HD1 PHE A 53 -0.480 3.707 -4.424 1.00 34.33 H new ATOM 0 HD2 PHE A 53 -2.142 0.822 -7.060 1.00 32.45 H new ATOM 0 HE1 PHE A 53 1.299 4.157 -5.998 1.00 32.22 H new ATOM 0 HE2 PHE A 53 -0.336 1.265 -8.673 1.00 0.03 H new ATOM 0 HZ PHE A 53 1.395 2.942 -8.142 1.00 11.05 H new ATOM 847 N HIS A 54 -2.305 4.331 -2.743 1.00 74.00 N ATOM 848 CA HIS A 54 -1.646 5.487 -2.181 1.00 61.05 C ATOM 849 C HIS A 54 -0.188 5.537 -2.525 1.00 2.20 C ATOM 850 O HIS A 54 0.259 6.454 -3.214 1.00 32.14 O ATOM 851 CB HIS A 54 -1.831 5.570 -0.663 1.00 44.32 C ATOM 852 CG HIS A 54 -3.223 5.879 -0.203 1.00 64.14 C ATOM 853 ND1 HIS A 54 -4.151 4.891 0.027 1.00 73.12 N ATOM 854 CD2 HIS A 54 -3.774 7.081 0.074 1.00 13.24 C ATOM 855 CE1 HIS A 54 -5.251 5.540 0.442 1.00 24.30 C ATOM 856 NE2 HIS A 54 -5.054 6.848 0.481 1.00 63.12 N ATOM 0 H HIS A 54 -2.289 3.502 -2.149 1.00 74.00 H new ATOM 0 HA HIS A 54 -2.127 6.354 -2.634 1.00 61.05 H new ATOM 0 HB2 HIS A 54 -1.523 4.621 -0.224 1.00 44.32 H new ATOM 0 HB3 HIS A 54 -1.159 6.335 -0.273 1.00 44.32 H new ATOM 0 HD2 HIS A 54 -3.292 8.044 -0.011 1.00 13.24 H new ATOM 0 HE1 HIS A 54 -6.179 5.056 0.710 1.00 24.30 H new ATOM 0 HE2 HIS A 54 -5.735 7.553 0.764 1.00 63.12 H new ATOM 864 N ILE A 55 0.544 4.560 -2.083 1.00 43.35 N ATOM 865 CA ILE A 55 1.974 4.587 -2.217 1.00 53.21 C ATOM 866 C ILE A 55 2.458 3.335 -2.892 1.00 10.10 C ATOM 867 O ILE A 55 2.017 2.228 -2.569 1.00 22.24 O ATOM 868 CB ILE A 55 2.663 4.678 -0.822 1.00 72.15 C ATOM 869 CG1 ILE A 55 2.125 5.871 -0.021 1.00 63.50 C ATOM 870 CG2 ILE A 55 4.168 4.860 -1.023 1.00 23.15 C ATOM 871 CD1 ILE A 55 2.430 5.828 1.453 1.00 34.13 C ATOM 0 H ILE A 55 0.174 3.728 -1.623 1.00 43.35 H new ATOM 0 HA ILE A 55 2.229 5.464 -2.812 1.00 53.21 H new ATOM 0 HB ILE A 55 2.454 3.761 -0.270 1.00 72.15 H new ATOM 0 HG12 ILE A 55 2.541 6.788 -0.438 1.00 63.50 H new ATOM 0 HG13 ILE A 55 1.044 5.922 -0.153 1.00 63.50 H new ATOM 0 HG21 ILE A 55 4.660 4.925 -0.052 1.00 23.15 H new ATOM 0 HG22 ILE A 55 4.567 4.009 -1.576 1.00 23.15 H new ATOM 0 HG23 ILE A 55 4.352 5.776 -1.585 1.00 23.15 H new ATOM 0 HD11 ILE A 55 2.011 6.710 1.937 1.00 34.13 H new ATOM 0 HD12 ILE A 55 1.990 4.931 1.890 1.00 34.13 H new ATOM 0 HD13 ILE A 55 3.510 5.811 1.601 1.00 34.13 H new ATOM 883 N ALA A 56 3.338 3.506 -3.817 1.00 1.24 N ATOM 884 CA ALA A 56 3.977 2.393 -4.457 1.00 23.01 C ATOM 885 C ALA A 56 5.437 2.441 -4.137 1.00 43.35 C ATOM 886 O ALA A 56 6.061 3.499 -4.228 1.00 43.01 O ATOM 887 CB ALA A 56 3.781 2.425 -5.957 1.00 11.41 C ATOM 0 H ALA A 56 3.640 4.419 -4.156 1.00 1.24 H new ATOM 0 HA ALA A 56 3.530 1.470 -4.088 1.00 23.01 H new ATOM 0 HB1 ALA A 56 4.279 1.566 -6.407 1.00 11.41 H new ATOM 0 HB2 ALA A 56 2.716 2.388 -6.186 1.00 11.41 H new ATOM 0 HB3 ALA A 56 4.207 3.344 -6.360 1.00 11.41 H new ATOM 893 N VAL A 57 5.980 1.348 -3.730 1.00 74.43 N ATOM 894 CA VAL A 57 7.389 1.308 -3.459 1.00 44.21 C ATOM 895 C VAL A 57 8.075 0.257 -4.321 1.00 72.12 C ATOM 896 O VAL A 57 7.576 -0.871 -4.472 1.00 35.31 O ATOM 897 CB VAL A 57 7.715 1.084 -1.948 1.00 42.34 C ATOM 898 CG1 VAL A 57 7.272 -0.263 -1.459 1.00 14.34 C ATOM 899 CG2 VAL A 57 9.178 1.287 -1.681 1.00 30.21 C ATOM 0 H VAL A 57 5.482 0.471 -3.576 1.00 74.43 H new ATOM 0 HA VAL A 57 7.782 2.291 -3.718 1.00 44.21 H new ATOM 0 HB VAL A 57 7.148 1.830 -1.390 1.00 42.34 H new ATOM 0 HG11 VAL A 57 7.522 -0.367 -0.403 1.00 14.34 H new ATOM 0 HG12 VAL A 57 6.194 -0.360 -1.588 1.00 14.34 H new ATOM 0 HG13 VAL A 57 7.777 -1.042 -2.030 1.00 14.34 H new ATOM 0 HG21 VAL A 57 9.380 1.126 -0.622 1.00 30.21 H new ATOM 0 HG22 VAL A 57 9.758 0.579 -2.273 1.00 30.21 H new ATOM 0 HG23 VAL A 57 9.460 2.304 -1.953 1.00 30.21 H new ATOM 909 N ASP A 58 9.173 0.636 -4.919 1.00 43.14 N ATOM 910 CA ASP A 58 9.964 -0.275 -5.686 1.00 22.14 C ATOM 911 C ASP A 58 11.209 -0.619 -4.918 1.00 12.51 C ATOM 912 O ASP A 58 11.371 -0.206 -3.758 1.00 74.14 O ATOM 913 CB ASP A 58 10.291 0.223 -7.118 1.00 21.42 C ATOM 914 CG ASP A 58 11.118 1.489 -7.201 1.00 64.15 C ATOM 915 OD1 ASP A 58 12.262 1.473 -6.817 1.00 2.32 O ATOM 916 OD2 ASP A 58 10.634 2.494 -7.731 1.00 42.43 O ATOM 0 H ASP A 58 9.540 1.587 -4.885 1.00 43.14 H new ATOM 0 HA ASP A 58 9.366 -1.173 -5.839 1.00 22.14 H new ATOM 0 HB2 ASP A 58 10.820 -0.570 -7.646 1.00 21.42 H new ATOM 0 HB3 ASP A 58 9.353 0.388 -7.648 1.00 21.42 H new ATOM 921 N ASP A 59 12.076 -1.383 -5.526 1.00 1.33 N ATOM 922 CA ASP A 59 13.278 -1.865 -4.856 1.00 62.03 C ATOM 923 C ASP A 59 14.278 -0.714 -4.617 1.00 21.15 C ATOM 924 O ASP A 59 15.259 -0.861 -3.861 1.00 71.32 O ATOM 925 CB ASP A 59 13.935 -3.013 -5.662 1.00 74.35 C ATOM 926 CG ASP A 59 14.781 -2.573 -6.820 1.00 34.02 C ATOM 927 OD1 ASP A 59 14.234 -2.164 -7.853 1.00 13.31 O ATOM 928 OD2 ASP A 59 16.029 -2.691 -6.727 1.00 14.10 O ATOM 0 H ASP A 59 11.981 -1.693 -6.493 1.00 1.33 H new ATOM 0 HA ASP A 59 12.986 -2.260 -3.883 1.00 62.03 H new ATOM 0 HB2 ASP A 59 14.552 -3.605 -4.985 1.00 74.35 H new ATOM 0 HB3 ASP A 59 13.150 -3.670 -6.035 1.00 74.35 H new ATOM 933 N LYS A 60 14.014 0.435 -5.212 1.00 10.32 N ATOM 934 CA LYS A 60 14.899 1.583 -5.084 1.00 45.21 C ATOM 935 C LYS A 60 14.230 2.681 -4.256 1.00 14.12 C ATOM 936 O LYS A 60 14.704 3.043 -3.170 1.00 24.42 O ATOM 937 CB LYS A 60 15.232 2.200 -6.469 1.00 74.53 C ATOM 938 CG LYS A 60 15.557 1.217 -7.594 1.00 54.24 C ATOM 939 CD LYS A 60 16.751 0.337 -7.310 1.00 75.34 C ATOM 940 CE LYS A 60 18.043 1.109 -7.182 1.00 1.01 C ATOM 941 NZ LYS A 60 19.199 0.197 -7.032 1.00 52.31 N ATOM 0 H LYS A 60 13.191 0.600 -5.791 1.00 10.32 H new ATOM 0 HA LYS A 60 15.810 1.225 -4.603 1.00 45.21 H new ATOM 0 HB2 LYS A 60 14.385 2.810 -6.783 1.00 74.53 H new ATOM 0 HB3 LYS A 60 16.081 2.872 -6.348 1.00 74.53 H new ATOM 0 HG2 LYS A 60 14.687 0.586 -7.774 1.00 54.24 H new ATOM 0 HG3 LYS A 60 15.740 1.777 -8.511 1.00 54.24 H new ATOM 0 HD2 LYS A 60 16.574 -0.218 -6.389 1.00 75.34 H new ATOM 0 HD3 LYS A 60 16.852 -0.397 -8.110 1.00 75.34 H new ATOM 0 HE2 LYS A 60 18.183 1.737 -8.062 1.00 1.01 H new ATOM 0 HE3 LYS A 60 17.988 1.775 -6.321 1.00 1.01 H new ATOM 0 HZ1 LYS A 60 20.072 0.755 -6.946 1.00 52.31 H new ATOM 0 HZ2 LYS A 60 19.074 -0.384 -6.179 1.00 52.31 H new ATOM 0 HZ3 LYS A 60 19.264 -0.421 -7.866 1.00 52.31 H new ATOM 955 N LYS A 61 13.130 3.185 -4.770 1.00 13.43 N ATOM 956 CA LYS A 61 12.485 4.359 -4.242 1.00 52.13 C ATOM 957 C LYS A 61 10.989 4.158 -4.061 1.00 62.41 C ATOM 958 O LYS A 61 10.406 3.200 -4.569 1.00 64.42 O ATOM 959 CB LYS A 61 12.789 5.556 -5.137 1.00 54.10 C ATOM 960 CG LYS A 61 12.380 5.344 -6.583 1.00 3.04 C ATOM 961 CD LYS A 61 12.810 6.487 -7.483 1.00 1.25 C ATOM 962 CE LYS A 61 14.324 6.617 -7.537 1.00 53.34 C ATOM 963 NZ LYS A 61 14.756 7.665 -8.476 1.00 63.20 N ATOM 0 H LYS A 61 12.654 2.783 -5.578 1.00 13.43 H new ATOM 0 HA LYS A 61 12.886 4.553 -3.247 1.00 52.13 H new ATOM 0 HB2 LYS A 61 12.274 6.433 -4.746 1.00 54.10 H new ATOM 0 HB3 LYS A 61 13.857 5.769 -5.096 1.00 54.10 H new ATOM 0 HG2 LYS A 61 12.817 4.415 -6.948 1.00 3.04 H new ATOM 0 HG3 LYS A 61 11.297 5.230 -6.638 1.00 3.04 H new ATOM 0 HD2 LYS A 61 12.422 6.325 -8.489 1.00 1.25 H new ATOM 0 HD3 LYS A 61 12.377 7.419 -7.121 1.00 1.25 H new ATOM 0 HE2 LYS A 61 14.704 6.844 -6.541 1.00 53.34 H new ATOM 0 HE3 LYS A 61 14.759 5.663 -7.834 1.00 53.34 H new ATOM 0 HZ1 LYS A 61 15.795 7.720 -8.481 1.00 63.20 H new ATOM 0 HZ2 LYS A 61 14.416 7.436 -9.432 1.00 63.20 H new ATOM 0 HZ3 LYS A 61 14.363 8.581 -8.179 1.00 63.20 H new ATOM 977 N ALA A 62 10.391 5.040 -3.309 1.00 31.25 N ATOM 978 CA ALA A 62 8.980 4.973 -3.017 1.00 42.10 C ATOM 979 C ALA A 62 8.306 6.179 -3.595 1.00 2.12 C ATOM 980 O ALA A 62 8.764 7.282 -3.399 1.00 2.32 O ATOM 981 CB ALA A 62 8.745 4.927 -1.511 1.00 11.42 C ATOM 0 H ALA A 62 10.869 5.831 -2.878 1.00 31.25 H new ATOM 0 HA ALA A 62 8.567 4.066 -3.458 1.00 42.10 H new ATOM 0 HB1 ALA A 62 7.675 4.877 -1.311 1.00 11.42 H new ATOM 0 HB2 ALA A 62 9.234 4.047 -1.093 1.00 11.42 H new ATOM 0 HB3 ALA A 62 9.158 5.824 -1.051 1.00 11.42 H new ATOM 987 N ILE A 63 7.242 5.987 -4.307 1.00 0.34 N ATOM 988 CA ILE A 63 6.528 7.092 -4.896 1.00 55.54 C ATOM 989 C ILE A 63 5.100 7.071 -4.416 1.00 20.31 C ATOM 990 O ILE A 63 4.446 6.024 -4.427 1.00 74.31 O ATOM 991 CB ILE A 63 6.552 7.138 -6.487 1.00 25.54 C ATOM 992 CG1 ILE A 63 7.975 7.310 -7.072 1.00 2.05 C ATOM 993 CG2 ILE A 63 5.663 8.258 -7.018 1.00 20.12 C ATOM 994 CD1 ILE A 63 8.876 6.118 -6.965 1.00 21.11 C ATOM 0 H ILE A 63 6.840 5.070 -4.500 1.00 0.34 H new ATOM 0 HA ILE A 63 7.051 7.991 -4.570 1.00 55.54 H new ATOM 0 HB ILE A 63 6.171 6.170 -6.811 1.00 25.54 H new ATOM 0 HG12 ILE A 63 7.884 7.579 -8.124 1.00 2.05 H new ATOM 0 HG13 ILE A 63 8.454 8.150 -6.569 1.00 2.05 H new ATOM 0 HG21 ILE A 63 5.699 8.266 -8.107 1.00 20.12 H new ATOM 0 HG22 ILE A 63 4.637 8.094 -6.690 1.00 20.12 H new ATOM 0 HG23 ILE A 63 6.017 9.216 -6.637 1.00 20.12 H new ATOM 0 HD11 ILE A 63 9.844 6.353 -7.406 1.00 21.11 H new ATOM 0 HD12 ILE A 63 9.010 5.856 -5.915 1.00 21.11 H new ATOM 0 HD13 ILE A 63 8.430 5.276 -7.495 1.00 21.11 H new ATOM 1006 N GLN A 64 4.618 8.191 -3.978 1.00 12.04 N ATOM 1007 CA GLN A 64 3.268 8.259 -3.533 1.00 62.34 C ATOM 1008 C GLN A 64 2.420 8.977 -4.578 1.00 11.42 C ATOM 1009 O GLN A 64 2.865 9.980 -5.176 1.00 65.03 O ATOM 1010 CB GLN A 64 3.170 8.964 -2.199 1.00 1.10 C ATOM 1011 CG GLN A 64 1.802 8.850 -1.594 1.00 64.44 C ATOM 1012 CD GLN A 64 1.643 9.634 -0.325 1.00 23.01 C ATOM 1013 OE1 GLN A 64 2.603 9.852 0.422 1.00 4.13 O ATOM 1014 NE2 GLN A 64 0.444 10.031 -0.054 1.00 21.25 N ATOM 0 H GLN A 64 5.139 9.066 -3.920 1.00 12.04 H new ATOM 0 HA GLN A 64 2.894 7.244 -3.401 1.00 62.34 H new ATOM 0 HB2 GLN A 64 3.905 8.542 -1.513 1.00 1.10 H new ATOM 0 HB3 GLN A 64 3.421 10.017 -2.328 1.00 1.10 H new ATOM 0 HG2 GLN A 64 1.063 9.192 -2.318 1.00 64.44 H new ATOM 0 HG3 GLN A 64 1.588 7.800 -1.393 1.00 64.44 H new ATOM 0 HE21 GLN A 64 -0.319 9.828 -0.700 1.00 21.25 H new ATOM 0 HE22 GLN A 64 0.260 10.547 0.806 1.00 21.25 H new ATOM 1023 N GLY A 65 1.214 8.476 -4.785 1.00 74.22 N ATOM 1024 CA GLY A 65 0.336 9.026 -5.805 1.00 3.11 C ATOM 1025 C GLY A 65 -0.989 9.528 -5.265 1.00 32.31 C ATOM 1026 O GLY A 65 -1.505 10.528 -5.720 1.00 75.22 O ATOM 0 H GLY A 65 0.821 7.693 -4.263 1.00 74.22 H new ATOM 0 HA2 GLY A 65 0.848 9.847 -6.307 1.00 3.11 H new ATOM 0 HA3 GLY A 65 0.145 8.261 -6.558 1.00 3.11 H new ATOM 1030 N ILE A 66 -1.550 8.845 -4.320 1.00 21.34 N ATOM 1031 CA ILE A 66 -2.792 9.309 -3.731 1.00 1.42 C ATOM 1032 C ILE A 66 -2.524 9.801 -2.326 1.00 21.22 C ATOM 1033 O ILE A 66 -1.780 9.157 -1.574 1.00 44.14 O ATOM 1034 CB ILE A 66 -3.919 8.215 -3.765 1.00 43.54 C ATOM 1035 CG1 ILE A 66 -4.290 7.885 -5.218 1.00 5.13 C ATOM 1036 CG2 ILE A 66 -5.167 8.624 -2.971 1.00 3.02 C ATOM 1037 CD1 ILE A 66 -4.914 9.017 -5.973 1.00 54.12 C ATOM 0 H ILE A 66 -1.185 7.974 -3.935 1.00 21.34 H new ATOM 0 HA ILE A 66 -3.170 10.136 -4.331 1.00 1.42 H new ATOM 0 HB ILE A 66 -3.517 7.325 -3.280 1.00 43.54 H new ATOM 0 HG12 ILE A 66 -3.391 7.565 -5.745 1.00 5.13 H new ATOM 0 HG13 ILE A 66 -4.979 7.040 -5.221 1.00 5.13 H new ATOM 0 HG21 ILE A 66 -5.912 7.830 -3.030 1.00 3.02 H new ATOM 0 HG22 ILE A 66 -4.896 8.791 -1.928 1.00 3.02 H new ATOM 0 HG23 ILE A 66 -5.580 9.541 -3.390 1.00 3.02 H new ATOM 0 HD11 ILE A 66 -5.143 8.694 -6.989 1.00 54.12 H new ATOM 0 HD12 ILE A 66 -5.833 9.324 -5.474 1.00 54.12 H new ATOM 0 HD13 ILE A 66 -4.221 9.858 -6.007 1.00 54.12 H new ATOM 1049 N PRO A 67 -3.049 10.985 -1.979 1.00 65.32 N ATOM 1050 CA PRO A 67 -2.894 11.555 -0.650 1.00 55.24 C ATOM 1051 C PRO A 67 -3.498 10.637 0.418 1.00 1.41 C ATOM 1052 O PRO A 67 -4.646 10.206 0.301 1.00 64.35 O ATOM 1053 CB PRO A 67 -3.667 12.887 -0.735 1.00 15.35 C ATOM 1054 CG PRO A 67 -4.580 12.716 -1.893 1.00 1.30 C ATOM 1055 CD PRO A 67 -3.841 11.863 -2.859 1.00 3.44 C ATOM 0 HA PRO A 67 -1.850 11.688 -0.367 1.00 55.24 H new ATOM 0 HB2 PRO A 67 -4.222 13.082 0.182 1.00 15.35 H new ATOM 0 HB3 PRO A 67 -2.991 13.729 -0.884 1.00 15.35 H new ATOM 0 HG2 PRO A 67 -5.515 12.245 -1.589 1.00 1.30 H new ATOM 0 HG3 PRO A 67 -4.837 13.678 -2.336 1.00 1.30 H new ATOM 0 HD2 PRO A 67 -4.518 11.293 -3.496 1.00 3.44 H new ATOM 0 HD3 PRO A 67 -3.206 12.455 -3.518 1.00 3.44 H new ATOM 1063 N LEU A 68 -2.716 10.358 1.447 1.00 23.51 N ATOM 1064 CA LEU A 68 -3.097 9.463 2.543 1.00 30.44 C ATOM 1065 C LEU A 68 -4.312 9.968 3.291 1.00 35.31 C ATOM 1066 O LEU A 68 -5.019 9.208 3.915 1.00 3.51 O ATOM 1067 CB LEU A 68 -1.929 9.300 3.513 1.00 52.13 C ATOM 1068 CG LEU A 68 -0.661 8.670 2.944 1.00 34.30 C ATOM 1069 CD1 LEU A 68 0.435 8.625 3.993 1.00 12.42 C ATOM 1070 CD2 LEU A 68 -0.955 7.277 2.441 1.00 11.43 C ATOM 0 H LEU A 68 -1.781 10.751 1.552 1.00 23.51 H new ATOM 0 HA LEU A 68 -3.353 8.499 2.104 1.00 30.44 H new ATOM 0 HB2 LEU A 68 -1.674 10.283 3.910 1.00 52.13 H new ATOM 0 HB3 LEU A 68 -2.265 8.693 4.354 1.00 52.13 H new ATOM 0 HG LEU A 68 -0.316 9.284 2.112 1.00 34.30 H new ATOM 0 HD11 LEU A 68 1.329 8.172 3.565 1.00 12.42 H new ATOM 0 HD12 LEU A 68 0.664 9.638 4.324 1.00 12.42 H new ATOM 0 HD13 LEU A 68 0.100 8.032 4.844 1.00 12.42 H new ATOM 0 HD21 LEU A 68 -0.044 6.836 2.037 1.00 11.43 H new ATOM 0 HD22 LEU A 68 -1.321 6.663 3.264 1.00 11.43 H new ATOM 0 HD23 LEU A 68 -1.713 7.325 1.659 1.00 11.43 H new ATOM 1082 N GLU A 69 -4.563 11.251 3.189 1.00 14.12 N ATOM 1083 CA GLU A 69 -5.683 11.869 3.863 1.00 72.11 C ATOM 1084 C GLU A 69 -6.918 11.830 2.963 1.00 64.41 C ATOM 1085 O GLU A 69 -7.889 12.575 3.153 1.00 51.51 O ATOM 1086 CB GLU A 69 -5.313 13.287 4.220 1.00 61.13 C ATOM 1087 CG GLU A 69 -4.117 13.375 5.149 1.00 34.52 C ATOM 1088 CD GLU A 69 -3.656 14.786 5.354 1.00 70.34 C ATOM 1089 OE1 GLU A 69 -4.281 15.519 6.151 1.00 50.04 O ATOM 1090 OE2 GLU A 69 -2.659 15.198 4.714 1.00 13.12 O ATOM 0 H GLU A 69 -3.998 11.897 2.637 1.00 14.12 H new ATOM 0 HA GLU A 69 -5.920 11.325 4.777 1.00 72.11 H new ATOM 0 HB2 GLU A 69 -5.097 13.841 3.306 1.00 61.13 H new ATOM 0 HB3 GLU A 69 -6.168 13.771 4.692 1.00 61.13 H new ATOM 0 HG2 GLU A 69 -4.376 12.937 6.113 1.00 34.52 H new ATOM 0 HG3 GLU A 69 -3.298 12.784 4.740 1.00 34.52 H new ATOM 1097 N ARG A 70 -6.863 10.975 1.981 1.00 31.34 N ATOM 1098 CA ARG A 70 -7.946 10.725 1.096 1.00 33.54 C ATOM 1099 C ARG A 70 -8.121 9.246 0.819 1.00 22.45 C ATOM 1100 O ARG A 70 -7.268 8.421 1.134 1.00 24.14 O ATOM 1101 CB ARG A 70 -7.853 11.506 -0.211 1.00 52.11 C ATOM 1102 CG ARG A 70 -8.655 12.806 -0.263 1.00 13.44 C ATOM 1103 CD ARG A 70 -7.784 14.056 -0.336 1.00 63.25 C ATOM 1104 NE ARG A 70 -7.169 14.420 0.944 1.00 1.10 N ATOM 1105 CZ ARG A 70 -6.236 15.376 1.087 1.00 1.35 C ATOM 1106 NH1 ARG A 70 -5.644 15.912 0.014 1.00 11.14 N ATOM 1107 NH2 ARG A 70 -5.889 15.793 2.298 1.00 3.41 N ATOM 0 H ARG A 70 -6.033 10.419 1.775 1.00 31.34 H new ATOM 0 HA ARG A 70 -8.832 11.086 1.618 1.00 33.54 H new ATOM 0 HB2 ARG A 70 -6.805 11.739 -0.400 1.00 52.11 H new ATOM 0 HB3 ARG A 70 -8.188 10.861 -1.023 1.00 52.11 H new ATOM 0 HG2 ARG A 70 -9.315 12.782 -1.130 1.00 13.44 H new ATOM 0 HG3 ARG A 70 -9.291 12.867 0.620 1.00 13.44 H new ATOM 0 HD2 ARG A 70 -6.998 13.898 -1.075 1.00 63.25 H new ATOM 0 HD3 ARG A 70 -8.390 14.891 -0.688 1.00 63.25 H new ATOM 0 HE ARG A 70 -7.468 13.916 1.779 1.00 1.10 H new ATOM 0 HH11 ARG A 70 -5.900 15.595 -0.921 1.00 11.14 H new ATOM 0 HH12 ARG A 70 -4.937 16.637 0.131 1.00 11.14 H new ATOM 0 HH21 ARG A 70 -6.331 15.388 3.123 1.00 3.41 H new ATOM 0 HH22 ARG A 70 -5.180 16.519 2.404 1.00 3.41 H new ATOM 1121 N ASN A 71 -9.230 8.969 0.230 1.00 60.32 N ATOM 1122 CA ASN A 71 -9.725 7.645 -0.123 1.00 13.21 C ATOM 1123 C ASN A 71 -9.025 7.105 -1.372 1.00 30.43 C ATOM 1124 O ASN A 71 -8.676 7.846 -2.253 1.00 71.33 O ATOM 1125 CB ASN A 71 -11.268 7.861 -0.320 1.00 51.34 C ATOM 1126 CG ASN A 71 -12.136 6.769 -0.964 1.00 61.35 C ATOM 1127 OD1 ASN A 71 -13.289 6.610 -0.566 1.00 71.43 O ATOM 1128 ND2 ASN A 71 -11.686 6.130 -2.013 1.00 65.15 N ATOM 0 H ASN A 71 -9.880 9.705 -0.048 1.00 60.32 H new ATOM 0 HA ASN A 71 -9.523 6.891 0.638 1.00 13.21 H new ATOM 0 HB2 ASN A 71 -11.691 8.069 0.663 1.00 51.34 H new ATOM 0 HB3 ASN A 71 -11.392 8.764 -0.918 1.00 51.34 H new ATOM 0 HD21 ASN A 71 -12.295 5.486 -2.517 1.00 65.15 H new ATOM 0 HD22 ASN A 71 -10.726 6.276 -2.326 1.00 65.15 H new ATOM 1135 N ALA A 72 -8.830 5.808 -1.419 1.00 34.24 N ATOM 1136 CA ALA A 72 -8.270 5.156 -2.583 1.00 21.34 C ATOM 1137 C ALA A 72 -9.007 3.866 -2.812 1.00 5.33 C ATOM 1138 O ALA A 72 -9.217 3.105 -1.881 1.00 14.11 O ATOM 1139 CB ALA A 72 -6.788 4.887 -2.419 1.00 44.12 C ATOM 0 H ALA A 72 -9.055 5.174 -0.652 1.00 34.24 H new ATOM 0 HA ALA A 72 -8.384 5.817 -3.442 1.00 21.34 H new ATOM 0 HB1 ALA A 72 -6.406 4.397 -3.314 1.00 44.12 H new ATOM 0 HB2 ALA A 72 -6.262 5.830 -2.269 1.00 44.12 H new ATOM 0 HB3 ALA A 72 -6.629 4.241 -1.556 1.00 44.12 H new ATOM 1145 N TRP A 73 -9.432 3.622 -4.026 1.00 74.01 N ATOM 1146 CA TRP A 73 -10.169 2.400 -4.292 1.00 74.03 C ATOM 1147 C TRP A 73 -9.194 1.236 -4.361 1.00 52.41 C ATOM 1148 O TRP A 73 -8.506 1.067 -5.348 1.00 1.23 O ATOM 1149 CB TRP A 73 -10.916 2.533 -5.618 1.00 40.52 C ATOM 1150 CG TRP A 73 -11.787 3.747 -5.677 1.00 12.42 C ATOM 1151 CD1 TRP A 73 -11.686 4.789 -6.560 1.00 24.32 C ATOM 1152 CD2 TRP A 73 -12.855 4.079 -4.782 1.00 13.23 C ATOM 1153 NE1 TRP A 73 -12.637 5.733 -6.277 1.00 70.53 N ATOM 1154 CE2 TRP A 73 -13.367 5.321 -5.183 1.00 72.51 C ATOM 1155 CE3 TRP A 73 -13.430 3.437 -3.685 1.00 63.42 C ATOM 1156 CZ2 TRP A 73 -14.424 5.939 -4.517 1.00 72.33 C ATOM 1157 CZ3 TRP A 73 -14.474 4.046 -3.020 1.00 32.24 C ATOM 1158 CH2 TRP A 73 -14.966 5.290 -3.439 1.00 33.42 C ATOM 0 H TRP A 73 -9.289 4.232 -4.831 1.00 74.01 H new ATOM 0 HA TRP A 73 -10.890 2.222 -3.494 1.00 74.03 H new ATOM 0 HB2 TRP A 73 -10.194 2.570 -6.434 1.00 40.52 H new ATOM 0 HB3 TRP A 73 -11.528 1.645 -5.775 1.00 40.52 H new ATOM 0 HD1 TRP A 73 -10.964 4.856 -7.360 1.00 24.32 H new ATOM 0 HE1 TRP A 73 -12.782 6.601 -6.793 1.00 70.53 H new ATOM 0 HE3 TRP A 73 -13.062 2.475 -3.360 1.00 63.42 H new ATOM 0 HZ2 TRP A 73 -14.803 6.897 -4.840 1.00 72.33 H new ATOM 0 HZ3 TRP A 73 -14.918 3.558 -2.165 1.00 32.24 H new ATOM 0 HH2 TRP A 73 -15.786 5.744 -2.903 1.00 33.42 H new ATOM 1169 N ALA A 74 -9.163 0.422 -3.341 1.00 51.12 N ATOM 1170 CA ALA A 74 -8.162 -0.624 -3.289 1.00 22.11 C ATOM 1171 C ALA A 74 -8.701 -1.994 -3.031 1.00 71.30 C ATOM 1172 O ALA A 74 -8.180 -2.968 -3.553 1.00 51.34 O ATOM 1173 CB ALA A 74 -7.148 -0.306 -2.246 1.00 71.21 C ATOM 0 H ALA A 74 -9.802 0.455 -2.547 1.00 51.12 H new ATOM 0 HA ALA A 74 -7.721 -0.647 -4.286 1.00 22.11 H new ATOM 0 HB1 ALA A 74 -6.399 -1.097 -2.213 1.00 71.21 H new ATOM 0 HB2 ALA A 74 -6.665 0.641 -2.485 1.00 71.21 H new ATOM 0 HB3 ALA A 74 -7.637 -0.229 -1.275 1.00 71.21 H new ATOM 1179 N CYS A 75 -9.699 -2.094 -2.205 1.00 62.05 N ATOM 1180 CA CYS A 75 -10.174 -3.390 -1.818 1.00 43.22 C ATOM 1181 C CYS A 75 -11.221 -3.928 -2.787 1.00 62.34 C ATOM 1182 O CYS A 75 -11.394 -5.138 -2.909 1.00 53.34 O ATOM 1183 CB CYS A 75 -10.691 -3.389 -0.369 1.00 61.42 C ATOM 1184 SG CYS A 75 -12.088 -2.301 -0.032 1.00 31.14 S ATOM 0 H CYS A 75 -10.195 -1.305 -1.790 1.00 62.05 H new ATOM 0 HA CYS A 75 -9.323 -4.069 -1.863 1.00 43.22 H new ATOM 0 HB2 CYS A 75 -10.977 -4.407 -0.105 1.00 61.42 H new ATOM 0 HB3 CYS A 75 -9.869 -3.108 0.289 1.00 61.42 H new ATOM 0 HG CYS A 75 -11.961 -1.206 -0.721 1.00 31.14 H new ATOM 1190 N GLY A 76 -11.909 -3.022 -3.468 1.00 64.23 N ATOM 1191 CA GLY A 76 -12.945 -3.400 -4.419 1.00 2.21 C ATOM 1192 C GLY A 76 -14.113 -4.078 -3.748 1.00 11.42 C ATOM 1193 O GLY A 76 -14.828 -4.852 -4.363 1.00 40.14 O ATOM 0 H GLY A 76 -11.767 -2.016 -3.379 1.00 64.23 H new ATOM 0 HA2 GLY A 76 -13.295 -2.512 -4.944 1.00 2.21 H new ATOM 0 HA3 GLY A 76 -12.521 -4.068 -5.169 1.00 2.21 H new ATOM 1197 N ASP A 77 -14.299 -3.777 -2.482 1.00 15.04 N ATOM 1198 CA ASP A 77 -15.353 -4.399 -1.689 1.00 30.23 C ATOM 1199 C ASP A 77 -16.543 -3.450 -1.523 1.00 11.43 C ATOM 1200 O ASP A 77 -17.595 -3.813 -0.992 1.00 53.43 O ATOM 1201 CB ASP A 77 -14.771 -4.828 -0.322 1.00 13.41 C ATOM 1202 CG ASP A 77 -15.779 -5.462 0.608 1.00 12.14 C ATOM 1203 OD1 ASP A 77 -16.235 -6.590 0.330 1.00 0.10 O ATOM 1204 OD2 ASP A 77 -16.127 -4.838 1.626 1.00 73.33 O ATOM 0 H ASP A 77 -13.733 -3.101 -1.970 1.00 15.04 H new ATOM 0 HA ASP A 77 -15.724 -5.284 -2.206 1.00 30.23 H new ATOM 0 HB2 ASP A 77 -13.956 -5.532 -0.491 1.00 13.41 H new ATOM 0 HB3 ASP A 77 -14.341 -3.954 0.168 1.00 13.41 H new ATOM 1209 N GLY A 78 -16.395 -2.250 -2.025 1.00 11.24 N ATOM 1210 CA GLY A 78 -17.439 -1.295 -1.905 1.00 63.13 C ATOM 1211 C GLY A 78 -17.176 -0.345 -0.785 1.00 62.53 C ATOM 1212 O GLY A 78 -16.310 0.497 -0.880 1.00 74.41 O ATOM 0 H GLY A 78 -15.563 -1.923 -2.516 1.00 11.24 H new ATOM 0 HA2 GLY A 78 -17.538 -0.742 -2.839 1.00 63.13 H new ATOM 0 HA3 GLY A 78 -18.386 -1.807 -1.736 1.00 63.13 H new ATOM 1216 N ASN A 79 -17.883 -0.505 0.285 1.00 4.45 N ATOM 1217 CA ASN A 79 -17.769 0.410 1.416 1.00 4.42 C ATOM 1218 C ASN A 79 -17.121 -0.263 2.616 1.00 52.33 C ATOM 1219 O ASN A 79 -17.130 0.298 3.719 1.00 41.04 O ATOM 1220 CB ASN A 79 -19.152 0.961 1.805 1.00 24.01 C ATOM 1221 CG ASN A 79 -20.118 -0.112 2.273 1.00 71.44 C ATOM 1222 OD1 ASN A 79 -20.186 -0.426 3.459 1.00 71.43 O ATOM 1223 ND2 ASN A 79 -20.875 -0.668 1.360 1.00 41.14 N ATOM 0 H ASN A 79 -18.555 -1.261 0.418 1.00 4.45 H new ATOM 0 HA ASN A 79 -17.129 1.236 1.106 1.00 4.42 H new ATOM 0 HB2 ASN A 79 -19.031 1.701 2.596 1.00 24.01 H new ATOM 0 HB3 ASN A 79 -19.583 1.479 0.948 1.00 24.01 H new ATOM 0 HD21 ASN A 79 -21.549 -1.387 1.625 1.00 41.14 H new ATOM 0 HD22 ASN A 79 -20.791 -0.382 0.385 1.00 41.14 H new ATOM 1230 N GLY A 80 -16.523 -1.441 2.383 1.00 24.25 N ATOM 1231 CA GLY A 80 -15.942 -2.263 3.448 1.00 2.02 C ATOM 1232 C GLY A 80 -14.991 -1.520 4.365 1.00 24.42 C ATOM 1233 O GLY A 80 -15.371 -1.103 5.458 1.00 74.34 O ATOM 0 H GLY A 80 -16.430 -1.847 1.452 1.00 24.25 H new ATOM 0 HA2 GLY A 80 -16.750 -2.684 4.047 1.00 2.02 H new ATOM 0 HA3 GLY A 80 -15.411 -3.100 2.995 1.00 2.02 H new ATOM 1237 N SER A 81 -13.760 -1.360 3.948 1.00 60.54 N ATOM 1238 CA SER A 81 -12.791 -0.654 4.766 1.00 54.01 C ATOM 1239 C SER A 81 -11.779 0.111 3.919 1.00 34.23 C ATOM 1240 O SER A 81 -11.672 1.327 4.039 1.00 2.12 O ATOM 1241 CB SER A 81 -12.078 -1.624 5.729 1.00 1.43 C ATOM 1242 OG SER A 81 -13.005 -2.297 6.584 1.00 41.32 O ATOM 0 H SER A 81 -13.402 -1.703 3.057 1.00 60.54 H new ATOM 0 HA SER A 81 -13.339 0.080 5.357 1.00 54.01 H new ATOM 0 HB2 SER A 81 -11.514 -2.358 5.154 1.00 1.43 H new ATOM 0 HB3 SER A 81 -11.359 -1.073 6.335 1.00 1.43 H new ATOM 0 HG SER A 81 -12.682 -3.204 6.767 1.00 41.32 H new ATOM 1248 N GLY A 82 -11.057 -0.588 3.050 1.00 62.41 N ATOM 1249 CA GLY A 82 -10.003 0.072 2.275 1.00 45.31 C ATOM 1250 C GLY A 82 -10.453 0.887 1.092 1.00 21.10 C ATOM 1251 O GLY A 82 -9.710 1.680 0.591 1.00 4.41 O ATOM 0 H GLY A 82 -11.173 -1.584 2.864 1.00 62.41 H new ATOM 0 HA2 GLY A 82 -9.443 0.724 2.946 1.00 45.31 H new ATOM 0 HA3 GLY A 82 -9.311 -0.691 1.920 1.00 45.31 H new ATOM 1255 N ASN A 83 -11.628 0.624 0.574 1.00 21.31 N ATOM 1256 CA ASN A 83 -12.177 1.526 -0.430 1.00 43.23 C ATOM 1257 C ASN A 83 -12.525 2.865 0.145 1.00 11.32 C ATOM 1258 O ASN A 83 -12.502 3.831 -0.550 1.00 52.12 O ATOM 1259 CB ASN A 83 -13.390 0.958 -1.112 1.00 65.40 C ATOM 1260 CG ASN A 83 -13.074 0.093 -2.281 1.00 62.14 C ATOM 1261 OD1 ASN A 83 -12.023 -0.530 -2.351 1.00 43.54 O ATOM 1262 ND2 ASN A 83 -13.981 0.031 -3.182 1.00 45.42 N ATOM 0 H ASN A 83 -12.212 -0.177 0.815 1.00 21.31 H new ATOM 0 HA ASN A 83 -11.386 1.649 -1.169 1.00 43.23 H new ATOM 0 HB2 ASN A 83 -13.964 0.379 -0.388 1.00 65.40 H new ATOM 0 HB3 ASN A 83 -14.027 1.779 -1.441 1.00 65.40 H new ATOM 0 HD21 ASN A 83 -13.844 -0.557 -4.004 1.00 45.42 H new ATOM 0 HD22 ASN A 83 -14.841 0.570 -3.078 1.00 45.42 H new ATOM 1269 N ARG A 84 -12.860 2.910 1.422 1.00 60.32 N ATOM 1270 CA ARG A 84 -13.238 4.174 2.023 1.00 10.01 C ATOM 1271 C ARG A 84 -12.031 4.815 2.710 1.00 55.04 C ATOM 1272 O ARG A 84 -11.746 5.988 2.504 1.00 74.12 O ATOM 1273 CB ARG A 84 -14.399 4.003 3.012 1.00 52.43 C ATOM 1274 CG ARG A 84 -14.982 5.327 3.507 1.00 2.22 C ATOM 1275 CD ARG A 84 -15.617 6.114 2.353 1.00 62.43 C ATOM 1276 NE ARG A 84 -16.147 7.415 2.783 1.00 2.11 N ATOM 1277 CZ ARG A 84 -17.268 7.993 2.319 1.00 54.24 C ATOM 1278 NH1 ARG A 84 -18.072 7.344 1.474 1.00 64.23 N ATOM 1279 NH2 ARG A 84 -17.593 9.212 2.730 1.00 65.50 N ATOM 0 H ARG A 84 -12.878 2.106 2.050 1.00 60.32 H new ATOM 0 HA ARG A 84 -13.582 4.835 1.227 1.00 10.01 H new ATOM 0 HB2 ARG A 84 -15.189 3.424 2.535 1.00 52.43 H new ATOM 0 HB3 ARG A 84 -14.053 3.425 3.869 1.00 52.43 H new ATOM 0 HG2 ARG A 84 -15.731 5.134 4.276 1.00 2.22 H new ATOM 0 HG3 ARG A 84 -14.196 5.924 3.970 1.00 2.22 H new ATOM 0 HD2 ARG A 84 -14.874 6.269 1.571 1.00 62.43 H new ATOM 0 HD3 ARG A 84 -16.422 5.524 1.915 1.00 62.43 H new ATOM 0 HE ARG A 84 -15.620 7.922 3.494 1.00 2.11 H new ATOM 0 HH11 ARG A 84 -17.839 6.398 1.173 1.00 64.23 H new ATOM 0 HH12 ARG A 84 -18.920 7.794 1.129 1.00 64.23 H new ATOM 0 HH21 ARG A 84 -16.994 9.703 3.393 1.00 65.50 H new ATOM 0 HH22 ARG A 84 -18.442 9.658 2.383 1.00 65.50 H new ATOM 1293 N GLN A 85 -11.333 4.048 3.535 1.00 44.45 N ATOM 1294 CA GLN A 85 -10.138 4.520 4.166 1.00 20.14 C ATOM 1295 C GLN A 85 -9.067 3.495 3.862 1.00 13.21 C ATOM 1296 O GLN A 85 -9.167 2.851 2.890 1.00 44.02 O ATOM 1297 CB GLN A 85 -10.396 4.724 5.684 1.00 5.43 C ATOM 1298 CG GLN A 85 -10.757 3.482 6.484 1.00 25.34 C ATOM 1299 CD GLN A 85 -11.307 3.813 7.863 1.00 14.13 C ATOM 1300 OE1 GLN A 85 -12.103 3.065 8.400 1.00 63.34 O ATOM 1301 NE2 GLN A 85 -10.905 4.933 8.437 1.00 24.51 N ATOM 0 H GLN A 85 -11.588 3.090 3.776 1.00 44.45 H new ATOM 0 HA GLN A 85 -9.813 5.491 3.794 1.00 20.14 H new ATOM 0 HB2 GLN A 85 -9.503 5.166 6.125 1.00 5.43 H new ATOM 0 HB3 GLN A 85 -11.201 5.450 5.799 1.00 5.43 H new ATOM 0 HG2 GLN A 85 -11.496 2.901 5.932 1.00 25.34 H new ATOM 0 HG3 GLN A 85 -9.873 2.854 6.591 1.00 25.34 H new ATOM 0 HE21 GLN A 85 -10.237 5.539 7.961 1.00 24.51 H new ATOM 0 HE22 GLN A 85 -11.263 5.192 9.356 1.00 24.51 H new ATOM 1310 N SER A 86 -8.083 3.363 4.705 1.00 24.30 N ATOM 1311 CA SER A 86 -6.968 2.422 4.548 1.00 43.00 C ATOM 1312 C SER A 86 -5.958 2.900 3.516 1.00 61.51 C ATOM 1313 O SER A 86 -6.300 3.516 2.527 1.00 5.21 O ATOM 1314 CB SER A 86 -7.457 1.018 4.211 1.00 13.44 C ATOM 1315 OG SER A 86 -8.506 0.649 5.093 1.00 11.52 O ATOM 0 H SER A 86 -8.016 3.920 5.557 1.00 24.30 H new ATOM 0 HA SER A 86 -6.461 2.380 5.512 1.00 43.00 H new ATOM 0 HB2 SER A 86 -7.808 0.983 3.180 1.00 13.44 H new ATOM 0 HB3 SER A 86 -6.634 0.307 4.292 1.00 13.44 H new ATOM 0 HG SER A 86 -8.924 -0.179 4.776 1.00 11.52 H new ATOM 1321 N ILE A 87 -4.719 2.616 3.771 1.00 33.12 N ATOM 1322 CA ILE A 87 -3.662 3.023 2.884 1.00 33.50 C ATOM 1323 C ILE A 87 -3.298 1.891 1.974 1.00 14.33 C ATOM 1324 O ILE A 87 -3.026 0.797 2.428 1.00 33.42 O ATOM 1325 CB ILE A 87 -2.416 3.474 3.653 1.00 4.23 C ATOM 1326 CG1 ILE A 87 -2.796 4.616 4.576 1.00 12.11 C ATOM 1327 CG2 ILE A 87 -1.364 3.924 2.657 1.00 3.21 C ATOM 1328 CD1 ILE A 87 -1.720 5.055 5.535 1.00 35.52 C ATOM 0 H ILE A 87 -4.408 2.099 4.593 1.00 33.12 H new ATOM 0 HA ILE A 87 -4.028 3.870 2.303 1.00 33.50 H new ATOM 0 HB ILE A 87 -2.014 2.655 4.249 1.00 4.23 H new ATOM 0 HG12 ILE A 87 -3.088 5.472 3.967 1.00 12.11 H new ATOM 0 HG13 ILE A 87 -3.673 4.320 5.151 1.00 12.11 H new ATOM 0 HG21 ILE A 87 -0.471 4.248 3.192 1.00 3.21 H new ATOM 0 HG22 ILE A 87 -1.110 3.095 1.996 1.00 3.21 H new ATOM 0 HG23 ILE A 87 -1.753 4.753 2.066 1.00 3.21 H new ATOM 0 HD11 ILE A 87 -2.092 5.875 6.149 1.00 35.52 H new ATOM 0 HD12 ILE A 87 -1.441 4.219 6.177 1.00 35.52 H new ATOM 0 HD13 ILE A 87 -0.847 5.389 4.974 1.00 35.52 H new ATOM 1340 N SER A 88 -3.299 2.143 0.720 1.00 55.40 N ATOM 1341 CA SER A 88 -2.979 1.148 -0.227 1.00 21.31 C ATOM 1342 C SER A 88 -1.501 1.209 -0.580 1.00 70.13 C ATOM 1343 O SER A 88 -1.012 2.235 -1.072 1.00 41.33 O ATOM 1344 CB SER A 88 -3.810 1.389 -1.435 1.00 34.24 C ATOM 1345 OG SER A 88 -5.154 1.473 -1.072 1.00 63.04 O ATOM 0 H SER A 88 -3.524 3.054 0.319 1.00 55.40 H new ATOM 0 HA SER A 88 -3.182 0.158 0.181 1.00 21.31 H new ATOM 0 HB2 SER A 88 -3.497 2.311 -1.925 1.00 34.24 H new ATOM 0 HB3 SER A 88 -3.667 0.582 -2.153 1.00 34.24 H new ATOM 0 HG SER A 88 -5.548 2.281 -1.461 1.00 63.04 H new ATOM 1351 N VAL A 89 -0.807 0.131 -0.318 1.00 51.24 N ATOM 1352 CA VAL A 89 0.599 0.028 -0.613 1.00 22.32 C ATOM 1353 C VAL A 89 0.798 -0.994 -1.717 1.00 72.34 C ATOM 1354 O VAL A 89 0.331 -2.136 -1.615 1.00 41.11 O ATOM 1355 CB VAL A 89 1.420 -0.383 0.642 1.00 33.22 C ATOM 1356 CG1 VAL A 89 2.910 -0.481 0.319 1.00 74.13 C ATOM 1357 CG2 VAL A 89 1.188 0.605 1.778 1.00 51.24 C ATOM 0 H VAL A 89 -1.205 -0.706 0.109 1.00 51.24 H new ATOM 0 HA VAL A 89 0.957 1.006 -0.934 1.00 22.32 H new ATOM 0 HB VAL A 89 1.078 -1.368 0.959 1.00 33.22 H new ATOM 0 HG11 VAL A 89 3.458 -0.770 1.216 1.00 74.13 H new ATOM 0 HG12 VAL A 89 3.065 -1.229 -0.458 1.00 74.13 H new ATOM 0 HG13 VAL A 89 3.271 0.486 -0.031 1.00 74.13 H new ATOM 0 HG21 VAL A 89 1.770 0.302 2.648 1.00 51.24 H new ATOM 0 HG22 VAL A 89 1.498 1.601 1.463 1.00 51.24 H new ATOM 0 HG23 VAL A 89 0.129 0.620 2.037 1.00 51.24 H new ATOM 1367 N GLU A 90 1.457 -0.581 -2.756 1.00 1.44 N ATOM 1368 CA GLU A 90 1.708 -1.423 -3.902 1.00 52.03 C ATOM 1369 C GLU A 90 3.215 -1.714 -3.955 1.00 15.53 C ATOM 1370 O GLU A 90 4.030 -0.783 -4.045 1.00 54.03 O ATOM 1371 CB GLU A 90 1.265 -0.664 -5.169 1.00 64.12 C ATOM 1372 CG GLU A 90 1.276 -1.471 -6.462 1.00 54.33 C ATOM 1373 CD GLU A 90 0.249 -2.585 -6.471 1.00 64.43 C ATOM 1374 OE1 GLU A 90 -0.930 -2.323 -6.831 1.00 34.34 O ATOM 1375 OE2 GLU A 90 0.595 -3.724 -6.145 1.00 65.44 O ATOM 0 H GLU A 90 1.843 0.359 -2.840 1.00 1.44 H new ATOM 0 HA GLU A 90 1.157 -2.361 -3.836 1.00 52.03 H new ATOM 0 HB2 GLU A 90 0.256 -0.284 -5.008 1.00 64.12 H new ATOM 0 HB3 GLU A 90 1.915 0.202 -5.297 1.00 64.12 H new ATOM 0 HG2 GLU A 90 1.088 -0.803 -7.303 1.00 54.33 H new ATOM 0 HG3 GLU A 90 2.268 -1.897 -6.610 1.00 54.33 H new ATOM 1382 N ILE A 91 3.590 -2.976 -3.873 1.00 4.50 N ATOM 1383 CA ILE A 91 5.004 -3.338 -3.898 1.00 12.42 C ATOM 1384 C ILE A 91 5.410 -3.693 -5.298 1.00 72.43 C ATOM 1385 O ILE A 91 4.929 -4.683 -5.854 1.00 34.41 O ATOM 1386 CB ILE A 91 5.328 -4.539 -2.968 1.00 42.05 C ATOM 1387 CG1 ILE A 91 4.866 -4.239 -1.546 1.00 24.11 C ATOM 1388 CG2 ILE A 91 6.831 -4.839 -2.994 1.00 44.53 C ATOM 1389 CD1 ILE A 91 5.137 -5.349 -0.554 1.00 70.41 C ATOM 0 H ILE A 91 2.948 -3.764 -3.789 1.00 4.50 H new ATOM 0 HA ILE A 91 5.560 -2.472 -3.538 1.00 12.42 H new ATOM 0 HB ILE A 91 4.795 -5.419 -3.328 1.00 42.05 H new ATOM 0 HG12 ILE A 91 5.360 -3.331 -1.200 1.00 24.11 H new ATOM 0 HG13 ILE A 91 3.796 -4.034 -1.560 1.00 24.11 H new ATOM 0 HG21 ILE A 91 7.045 -5.683 -2.338 1.00 44.53 H new ATOM 0 HG22 ILE A 91 7.136 -5.084 -4.012 1.00 44.53 H new ATOM 0 HG23 ILE A 91 7.383 -3.964 -2.651 1.00 44.53 H new ATOM 0 HD11 ILE A 91 4.777 -5.052 0.431 1.00 70.41 H new ATOM 0 HD12 ILE A 91 4.621 -6.255 -0.872 1.00 70.41 H new ATOM 0 HD13 ILE A 91 6.209 -5.540 -0.506 1.00 70.41 H new ATOM 1401 N CYS A 92 6.281 -2.906 -5.862 1.00 14.13 N ATOM 1402 CA CYS A 92 6.742 -3.107 -7.205 1.00 23.03 C ATOM 1403 C CYS A 92 7.805 -4.200 -7.238 1.00 22.44 C ATOM 1404 O CYS A 92 8.432 -4.481 -6.224 1.00 34.11 O ATOM 1405 CB CYS A 92 7.294 -1.798 -7.754 1.00 4.01 C ATOM 1406 SG CYS A 92 6.101 -0.443 -7.689 1.00 35.02 S ATOM 0 H CYS A 92 6.695 -2.098 -5.397 1.00 14.13 H new ATOM 0 HA CYS A 92 5.909 -3.426 -7.831 1.00 23.03 H new ATOM 0 HB2 CYS A 92 8.183 -1.519 -7.187 1.00 4.01 H new ATOM 0 HB3 CYS A 92 7.609 -1.948 -8.787 1.00 4.01 H new ATOM 0 HG CYS A 92 6.352 0.307 -6.657 1.00 35.02 H new ATOM 1412 N TYR A 93 7.953 -4.844 -8.398 1.00 34.12 N ATOM 1413 CA TYR A 93 8.960 -5.889 -8.620 1.00 64.02 C ATOM 1414 C TYR A 93 8.635 -7.204 -7.923 1.00 65.33 C ATOM 1415 O TYR A 93 9.501 -8.067 -7.803 1.00 75.51 O ATOM 1416 CB TYR A 93 10.383 -5.424 -8.257 1.00 50.24 C ATOM 1417 CG TYR A 93 10.955 -4.360 -9.166 1.00 63.01 C ATOM 1418 CD1 TYR A 93 11.530 -4.711 -10.372 1.00 42.44 C ATOM 1419 CD2 TYR A 93 10.930 -3.019 -8.820 1.00 4.24 C ATOM 1420 CE1 TYR A 93 12.061 -3.766 -11.214 1.00 3.22 C ATOM 1421 CE2 TYR A 93 11.465 -2.060 -9.661 1.00 33.54 C ATOM 1422 CZ TYR A 93 12.028 -2.445 -10.859 1.00 74.10 C ATOM 1423 OH TYR A 93 12.549 -1.501 -11.709 1.00 5.45 O ATOM 0 H TYR A 93 7.374 -4.655 -9.216 1.00 34.12 H new ATOM 0 HA TYR A 93 8.929 -6.080 -9.693 1.00 64.02 H new ATOM 0 HB2 TYR A 93 10.376 -5.044 -7.236 1.00 50.24 H new ATOM 0 HB3 TYR A 93 11.047 -6.288 -8.271 1.00 50.24 H new ATOM 0 HD1 TYR A 93 11.562 -5.752 -10.659 1.00 42.44 H new ATOM 0 HD2 TYR A 93 10.487 -2.718 -7.882 1.00 4.24 H new ATOM 0 HE1 TYR A 93 12.503 -4.064 -12.153 1.00 3.22 H new ATOM 0 HE2 TYR A 93 11.442 -1.017 -9.381 1.00 33.54 H new ATOM 0 HH TYR A 93 12.447 -0.611 -11.311 1.00 5.45 H new ATOM 1433 N SER A 94 7.386 -7.388 -7.514 1.00 1.34 N ATOM 1434 CA SER A 94 6.988 -8.640 -6.880 1.00 63.32 C ATOM 1435 C SER A 94 7.118 -9.798 -7.865 1.00 41.15 C ATOM 1436 O SER A 94 7.512 -10.914 -7.498 1.00 12.40 O ATOM 1437 CB SER A 94 5.580 -8.537 -6.331 1.00 13.11 C ATOM 1438 OG SER A 94 5.163 -9.744 -5.737 1.00 71.02 O ATOM 0 H SER A 94 6.640 -6.698 -7.607 1.00 1.34 H new ATOM 0 HA SER A 94 7.656 -8.836 -6.041 1.00 63.32 H new ATOM 0 HB2 SER A 94 5.534 -7.734 -5.595 1.00 13.11 H new ATOM 0 HB3 SER A 94 4.894 -8.271 -7.135 1.00 13.11 H new ATOM 0 HG SER A 94 4.422 -10.124 -6.254 1.00 71.02 H new ATOM 1444 N LYS A 95 6.810 -9.523 -9.117 1.00 14.33 N ATOM 1445 CA LYS A 95 6.973 -10.468 -10.185 1.00 21.21 C ATOM 1446 C LYS A 95 8.426 -10.925 -10.330 1.00 11.33 C ATOM 1447 O LYS A 95 8.700 -12.078 -10.685 1.00 51.52 O ATOM 1448 CB LYS A 95 6.400 -9.859 -11.472 1.00 34.04 C ATOM 1449 CG LYS A 95 6.875 -10.476 -12.766 1.00 50.53 C ATOM 1450 CD LYS A 95 8.183 -9.838 -13.199 1.00 5.43 C ATOM 1451 CE LYS A 95 8.842 -10.639 -14.248 1.00 61.45 C ATOM 1452 NZ LYS A 95 10.053 -9.973 -14.770 1.00 15.15 N ATOM 0 H LYS A 95 6.435 -8.623 -9.417 1.00 14.33 H new ATOM 0 HA LYS A 95 6.417 -11.377 -9.958 1.00 21.21 H new ATOM 0 HB2 LYS A 95 5.313 -9.935 -11.434 1.00 34.04 H new ATOM 0 HB3 LYS A 95 6.645 -8.797 -11.488 1.00 34.04 H new ATOM 0 HG2 LYS A 95 7.010 -11.550 -12.638 1.00 50.53 H new ATOM 0 HG3 LYS A 95 6.121 -10.340 -13.541 1.00 50.53 H new ATOM 0 HD2 LYS A 95 7.995 -8.831 -13.571 1.00 5.43 H new ATOM 0 HD3 LYS A 95 8.847 -9.742 -12.340 1.00 5.43 H new ATOM 0 HE2 LYS A 95 9.110 -11.616 -13.845 1.00 61.45 H new ATOM 0 HE3 LYS A 95 8.142 -10.813 -15.065 1.00 61.45 H new ATOM 0 HZ1 LYS A 95 10.043 -10.000 -15.810 1.00 15.15 H new ATOM 0 HZ2 LYS A 95 10.070 -8.984 -14.450 1.00 15.15 H new ATOM 0 HZ3 LYS A 95 10.899 -10.466 -14.419 1.00 15.15 H new ATOM 1466 N SER A 96 9.335 -10.030 -10.048 1.00 13.23 N ATOM 1467 CA SER A 96 10.764 -10.325 -10.148 1.00 23.51 C ATOM 1468 C SER A 96 11.190 -11.375 -9.106 1.00 11.52 C ATOM 1469 O SER A 96 12.201 -12.055 -9.283 1.00 41.12 O ATOM 1470 CB SER A 96 11.555 -9.046 -9.948 1.00 64.54 C ATOM 1471 OG SER A 96 11.111 -8.053 -10.847 1.00 51.32 O ATOM 0 H SER A 96 9.122 -9.080 -9.744 1.00 13.23 H new ATOM 0 HA SER A 96 10.966 -10.734 -11.138 1.00 23.51 H new ATOM 0 HB2 SER A 96 11.441 -8.696 -8.922 1.00 64.54 H new ATOM 0 HB3 SER A 96 12.617 -9.238 -10.103 1.00 64.54 H new ATOM 0 HG SER A 96 11.882 -7.661 -11.308 1.00 51.32 H new ATOM 1477 N GLY A 97 10.389 -11.497 -8.048 1.00 34.24 N ATOM 1478 CA GLY A 97 10.556 -12.517 -6.982 1.00 14.14 C ATOM 1479 C GLY A 97 11.835 -12.453 -6.119 1.00 75.02 C ATOM 1480 O GLY A 97 11.800 -12.784 -4.938 1.00 64.24 O ATOM 0 H GLY A 97 9.588 -10.885 -7.894 1.00 34.24 H new ATOM 0 HA2 GLY A 97 9.697 -12.447 -6.314 1.00 14.14 H new ATOM 0 HA3 GLY A 97 10.517 -13.501 -7.450 1.00 14.14 H new ATOM 1484 N GLY A 98 12.929 -12.054 -6.704 1.00 32.34 N ATOM 1485 CA GLY A 98 14.202 -12.060 -6.049 1.00 61.15 C ATOM 1486 C GLY A 98 14.562 -10.739 -5.437 1.00 44.45 C ATOM 1487 O GLY A 98 13.708 -10.079 -4.853 1.00 74.45 O ATOM 0 H GLY A 98 12.960 -11.711 -7.664 1.00 32.34 H new ATOM 0 HA2 GLY A 98 14.199 -12.824 -5.271 1.00 61.15 H new ATOM 0 HA3 GLY A 98 14.971 -12.341 -6.768 1.00 61.15 H new ATOM 1491 N ASP A 99 15.828 -10.337 -5.615 1.00 71.31 N ATOM 1492 CA ASP A 99 16.411 -9.129 -4.973 1.00 13.24 C ATOM 1493 C ASP A 99 15.534 -7.915 -5.124 1.00 50.44 C ATOM 1494 O ASP A 99 15.333 -7.177 -4.169 1.00 14.41 O ATOM 1495 CB ASP A 99 17.792 -8.791 -5.538 1.00 44.31 C ATOM 1496 CG ASP A 99 18.800 -9.888 -5.381 1.00 64.24 C ATOM 1497 OD1 ASP A 99 19.360 -10.050 -4.286 1.00 13.04 O ATOM 1498 OD2 ASP A 99 19.064 -10.599 -6.372 1.00 4.45 O ATOM 0 H ASP A 99 16.488 -10.837 -6.210 1.00 71.31 H new ATOM 0 HA ASP A 99 16.495 -9.381 -3.916 1.00 13.24 H new ATOM 0 HB2 ASP A 99 17.692 -8.553 -6.597 1.00 44.31 H new ATOM 0 HB3 ASP A 99 18.166 -7.894 -5.044 1.00 44.31 H new ATOM 1503 N ARG A 100 15.004 -7.721 -6.325 1.00 55.22 N ATOM 1504 CA ARG A 100 14.123 -6.592 -6.601 1.00 31.21 C ATOM 1505 C ARG A 100 12.914 -6.615 -5.672 1.00 42.33 C ATOM 1506 O ARG A 100 12.580 -5.619 -5.051 1.00 24.12 O ATOM 1507 CB ARG A 100 13.644 -6.629 -8.038 1.00 3.51 C ATOM 1508 CG ARG A 100 14.692 -6.398 -9.111 1.00 12.11 C ATOM 1509 CD ARG A 100 15.204 -4.974 -9.065 1.00 23.23 C ATOM 1510 NE ARG A 100 16.072 -4.647 -10.193 1.00 0.02 N ATOM 1511 CZ ARG A 100 16.352 -3.399 -10.601 1.00 53.12 C ATOM 1512 NH1 ARG A 100 15.850 -2.342 -9.957 1.00 3.44 N ATOM 1513 NH2 ARG A 100 17.133 -3.206 -11.653 1.00 31.25 N ATOM 0 H ARG A 100 15.169 -8.332 -7.125 1.00 55.22 H new ATOM 0 HA ARG A 100 14.691 -5.677 -6.432 1.00 31.21 H new ATOM 0 HB2 ARG A 100 13.181 -7.599 -8.218 1.00 3.51 H new ATOM 0 HB3 ARG A 100 12.864 -5.877 -8.156 1.00 3.51 H new ATOM 0 HG2 ARG A 100 15.521 -7.092 -8.971 1.00 12.11 H new ATOM 0 HG3 ARG A 100 14.265 -6.604 -10.093 1.00 12.11 H new ATOM 0 HD2 ARG A 100 14.357 -4.288 -9.054 1.00 23.23 H new ATOM 0 HD3 ARG A 100 15.751 -4.819 -8.135 1.00 23.23 H new ATOM 0 HE ARG A 100 16.495 -5.420 -10.706 1.00 0.02 H new ATOM 0 HH11 ARG A 100 15.247 -2.478 -9.146 1.00 3.44 H new ATOM 0 HH12 ARG A 100 16.070 -1.399 -10.276 1.00 3.44 H new ATOM 0 HH21 ARG A 100 17.522 -4.005 -12.153 1.00 31.25 H new ATOM 0 HH22 ARG A 100 17.346 -2.258 -11.963 1.00 31.25 H new ATOM 1527 N TYR A 101 12.276 -7.765 -5.568 1.00 41.21 N ATOM 1528 CA TYR A 101 11.127 -7.898 -4.711 1.00 72.30 C ATOM 1529 C TYR A 101 11.496 -7.737 -3.248 1.00 21.22 C ATOM 1530 O TYR A 101 10.829 -7.006 -2.521 1.00 42.33 O ATOM 1531 CB TYR A 101 10.381 -9.218 -4.937 1.00 31.11 C ATOM 1532 CG TYR A 101 9.355 -9.475 -3.864 1.00 62.24 C ATOM 1533 CD1 TYR A 101 8.234 -8.667 -3.734 1.00 32.25 C ATOM 1534 CD2 TYR A 101 9.537 -10.500 -2.956 1.00 51.32 C ATOM 1535 CE1 TYR A 101 7.326 -8.867 -2.726 1.00 41.13 C ATOM 1536 CE2 TYR A 101 8.624 -10.718 -1.943 1.00 63.34 C ATOM 1537 CZ TYR A 101 7.518 -9.890 -1.834 1.00 10.14 C ATOM 1538 OH TYR A 101 6.624 -10.068 -0.816 1.00 30.34 O ATOM 0 H TYR A 101 12.537 -8.615 -6.067 1.00 41.21 H new ATOM 0 HA TYR A 101 10.449 -7.088 -4.982 1.00 72.30 H new ATOM 0 HB2 TYR A 101 9.891 -9.196 -5.910 1.00 31.11 H new ATOM 0 HB3 TYR A 101 11.096 -10.040 -4.959 1.00 31.11 H new ATOM 0 HD1 TYR A 101 8.074 -7.866 -4.440 1.00 32.25 H new ATOM 0 HD2 TYR A 101 10.404 -11.139 -3.039 1.00 51.32 H new ATOM 0 HE1 TYR A 101 6.464 -8.222 -2.635 1.00 41.13 H new ATOM 0 HE2 TYR A 101 8.771 -11.526 -1.242 1.00 63.34 H new ATOM 0 HH TYR A 101 7.001 -9.712 0.016 1.00 30.34 H new ATOM 1548 N TYR A 102 12.557 -8.404 -2.821 1.00 64.30 N ATOM 1549 CA TYR A 102 12.960 -8.338 -1.424 1.00 62.12 C ATOM 1550 C TYR A 102 13.310 -6.943 -1.008 1.00 33.12 C ATOM 1551 O TYR A 102 12.876 -6.492 0.039 1.00 25.12 O ATOM 1552 CB TYR A 102 14.074 -9.326 -1.079 1.00 2.15 C ATOM 1553 CG TYR A 102 13.636 -10.745 -1.251 1.00 74.14 C ATOM 1554 CD1 TYR A 102 12.732 -11.316 -0.375 1.00 11.14 C ATOM 1555 CD2 TYR A 102 14.085 -11.497 -2.306 1.00 74.54 C ATOM 1556 CE1 TYR A 102 12.298 -12.602 -0.551 1.00 75.53 C ATOM 1557 CE2 TYR A 102 13.657 -12.779 -2.502 1.00 73.43 C ATOM 1558 CZ TYR A 102 12.760 -13.334 -1.616 1.00 51.15 C ATOM 1559 OH TYR A 102 12.313 -14.620 -1.802 1.00 54.12 O ATOM 0 H TYR A 102 13.148 -8.989 -3.412 1.00 64.30 H new ATOM 0 HA TYR A 102 12.089 -8.643 -0.844 1.00 62.12 H new ATOM 0 HB2 TYR A 102 14.939 -9.134 -1.714 1.00 2.15 H new ATOM 0 HB3 TYR A 102 14.393 -9.167 -0.049 1.00 2.15 H new ATOM 0 HD1 TYR A 102 12.363 -10.739 0.460 1.00 11.14 H new ATOM 0 HD2 TYR A 102 14.793 -11.066 -2.998 1.00 74.54 H new ATOM 0 HE1 TYR A 102 11.596 -13.038 0.144 1.00 75.53 H new ATOM 0 HE2 TYR A 102 14.018 -13.352 -3.343 1.00 73.43 H new ATOM 0 HH TYR A 102 12.735 -15.001 -2.601 1.00 54.12 H new ATOM 1569 N LYS A 103 14.055 -6.239 -1.844 1.00 5.04 N ATOM 1570 CA LYS A 103 14.425 -4.882 -1.541 1.00 52.15 C ATOM 1571 C LYS A 103 13.169 -4.025 -1.449 1.00 63.53 C ATOM 1572 O LYS A 103 13.028 -3.238 -0.533 1.00 14.43 O ATOM 1573 CB LYS A 103 15.361 -4.312 -2.602 1.00 72.21 C ATOM 1574 CG LYS A 103 16.701 -3.709 -2.106 1.00 35.24 C ATOM 1575 CD LYS A 103 16.577 -2.487 -1.162 1.00 62.13 C ATOM 1576 CE LYS A 103 16.149 -2.855 0.263 1.00 13.35 C ATOM 1577 NZ LYS A 103 16.159 -1.687 1.178 1.00 73.02 N ATOM 0 H LYS A 103 14.411 -6.590 -2.733 1.00 5.04 H new ATOM 0 HA LYS A 103 14.953 -4.874 -0.587 1.00 52.15 H new ATOM 0 HB2 LYS A 103 15.589 -5.105 -3.314 1.00 72.21 H new ATOM 0 HB3 LYS A 103 14.823 -3.538 -3.149 1.00 72.21 H new ATOM 0 HG2 LYS A 103 17.261 -4.489 -1.590 1.00 35.24 H new ATOM 0 HG3 LYS A 103 17.290 -3.416 -2.975 1.00 35.24 H new ATOM 0 HD2 LYS A 103 17.536 -1.970 -1.123 1.00 62.13 H new ATOM 0 HD3 LYS A 103 15.854 -1.787 -1.580 1.00 62.13 H new ATOM 0 HE2 LYS A 103 15.148 -3.285 0.239 1.00 13.35 H new ATOM 0 HE3 LYS A 103 16.817 -3.624 0.653 1.00 13.35 H new ATOM 0 HZ1 LYS A 103 15.912 -1.997 2.139 1.00 73.02 H new ATOM 0 HZ2 LYS A 103 17.107 -1.260 1.185 1.00 73.02 H new ATOM 0 HZ3 LYS A 103 15.465 -0.984 0.852 1.00 73.02 H new ATOM 1591 N ALA A 104 12.252 -4.218 -2.397 1.00 25.03 N ATOM 1592 CA ALA A 104 10.990 -3.484 -2.433 1.00 44.32 C ATOM 1593 C ALA A 104 10.155 -3.753 -1.181 1.00 74.21 C ATOM 1594 O ALA A 104 9.626 -2.822 -0.572 1.00 3.35 O ATOM 1595 CB ALA A 104 10.209 -3.835 -3.678 1.00 41.41 C ATOM 0 H ALA A 104 12.364 -4.886 -3.159 1.00 25.03 H new ATOM 0 HA ALA A 104 11.222 -2.419 -2.456 1.00 44.32 H new ATOM 0 HB1 ALA A 104 9.272 -3.279 -3.688 1.00 41.41 H new ATOM 0 HB2 ALA A 104 10.795 -3.576 -4.560 1.00 41.41 H new ATOM 0 HB3 ALA A 104 9.997 -4.904 -3.685 1.00 41.41 H new ATOM 1601 N GLU A 105 10.048 -5.022 -0.797 1.00 21.50 N ATOM 1602 CA GLU A 105 9.342 -5.407 0.409 1.00 41.32 C ATOM 1603 C GLU A 105 10.025 -4.779 1.635 1.00 32.54 C ATOM 1604 O GLU A 105 9.362 -4.233 2.523 1.00 50.13 O ATOM 1605 CB GLU A 105 9.318 -6.926 0.541 1.00 13.40 C ATOM 1606 CG GLU A 105 8.610 -7.410 1.783 1.00 12.12 C ATOM 1607 CD GLU A 105 8.774 -8.882 2.015 1.00 30.43 C ATOM 1608 OE1 GLU A 105 8.029 -9.680 1.417 1.00 14.31 O ATOM 1609 OE2 GLU A 105 9.680 -9.258 2.811 1.00 71.54 O ATOM 0 H GLU A 105 10.448 -5.805 -1.314 1.00 21.50 H new ATOM 0 HA GLU A 105 8.315 -5.046 0.351 1.00 41.32 H new ATOM 0 HB2 GLU A 105 8.829 -7.352 -0.336 1.00 13.40 H new ATOM 0 HB3 GLU A 105 10.342 -7.299 0.547 1.00 13.40 H new ATOM 0 HG2 GLU A 105 8.992 -6.867 2.647 1.00 12.12 H new ATOM 0 HG3 GLU A 105 7.548 -7.176 1.704 1.00 12.12 H new ATOM 1616 N ASP A 106 11.355 -4.843 1.659 1.00 53.31 N ATOM 1617 CA ASP A 106 12.159 -4.243 2.736 1.00 61.51 C ATOM 1618 C ASP A 106 12.003 -2.744 2.769 1.00 23.45 C ATOM 1619 O ASP A 106 12.201 -2.100 3.791 1.00 52.33 O ATOM 1620 CB ASP A 106 13.638 -4.583 2.609 1.00 33.12 C ATOM 1621 CG ASP A 106 13.977 -6.021 2.939 1.00 23.32 C ATOM 1622 OD1 ASP A 106 13.510 -6.522 3.976 1.00 25.24 O ATOM 1623 OD2 ASP A 106 14.759 -6.656 2.192 1.00 72.13 O ATOM 0 H ASP A 106 11.908 -5.308 0.939 1.00 53.31 H new ATOM 0 HA ASP A 106 11.782 -4.669 3.666 1.00 61.51 H new ATOM 0 HB2 ASP A 106 13.962 -4.370 1.590 1.00 33.12 H new ATOM 0 HB3 ASP A 106 14.207 -3.927 3.268 1.00 33.12 H new ATOM 1628 N ASN A 107 11.705 -2.197 1.655 1.00 11.45 N ATOM 1629 CA ASN A 107 11.430 -0.790 1.564 1.00 45.40 C ATOM 1630 C ASN A 107 10.062 -0.469 2.111 1.00 51.51 C ATOM 1631 O ASN A 107 9.915 0.455 2.923 1.00 64.24 O ATOM 1632 CB ASN A 107 11.599 -0.239 0.149 1.00 74.25 C ATOM 1633 CG ASN A 107 13.025 -0.272 -0.359 1.00 75.44 C ATOM 1634 OD1 ASN A 107 13.982 -0.206 0.412 1.00 33.01 O ATOM 1635 ND2 ASN A 107 13.183 -0.333 -1.654 1.00 1.24 N ATOM 0 H ASN A 107 11.641 -2.700 0.770 1.00 11.45 H new ATOM 0 HA ASN A 107 12.176 -0.289 2.181 1.00 45.40 H new ATOM 0 HB2 ASN A 107 10.969 -0.812 -0.531 1.00 74.25 H new ATOM 0 HB3 ASN A 107 11.240 0.790 0.125 1.00 74.25 H new ATOM 0 HD21 ASN A 107 14.121 -0.327 -2.054 1.00 1.24 H new ATOM 0 HD22 ASN A 107 12.368 -0.387 -2.265 1.00 1.24 H new ATOM 1642 N ALA A 108 9.067 -1.252 1.703 1.00 44.13 N ATOM 1643 CA ALA A 108 7.703 -1.070 2.150 1.00 74.32 C ATOM 1644 C ALA A 108 7.578 -1.154 3.667 1.00 20.01 C ATOM 1645 O ALA A 108 6.813 -0.412 4.240 1.00 1.12 O ATOM 1646 CB ALA A 108 6.770 -2.083 1.487 1.00 2.24 C ATOM 0 H ALA A 108 9.191 -2.028 1.053 1.00 44.13 H new ATOM 0 HA ALA A 108 7.405 -0.066 1.849 1.00 74.32 H new ATOM 0 HB1 ALA A 108 5.751 -1.925 1.840 1.00 2.24 H new ATOM 0 HB2 ALA A 108 6.803 -1.955 0.405 1.00 2.24 H new ATOM 0 HB3 ALA A 108 7.089 -3.093 1.742 1.00 2.24 H new ATOM 1652 N VAL A 109 8.357 -2.035 4.320 1.00 74.42 N ATOM 1653 CA VAL A 109 8.258 -2.194 5.785 1.00 41.01 C ATOM 1654 C VAL A 109 8.462 -0.866 6.530 1.00 41.43 C ATOM 1655 O VAL A 109 7.723 -0.546 7.469 1.00 52.14 O ATOM 1656 CB VAL A 109 9.217 -3.284 6.357 1.00 31.05 C ATOM 1657 CG1 VAL A 109 8.978 -4.610 5.709 1.00 61.31 C ATOM 1658 CG2 VAL A 109 10.672 -2.898 6.254 1.00 15.13 C ATOM 0 H VAL A 109 9.048 -2.636 3.870 1.00 74.42 H new ATOM 0 HA VAL A 109 7.238 -2.537 5.961 1.00 41.01 H new ATOM 0 HB VAL A 109 8.985 -3.366 7.419 1.00 31.05 H new ATOM 0 HG11 VAL A 109 9.661 -5.348 6.129 1.00 61.31 H new ATOM 0 HG12 VAL A 109 7.950 -4.923 5.890 1.00 61.31 H new ATOM 0 HG13 VAL A 109 9.149 -4.526 4.636 1.00 61.31 H new ATOM 0 HG21 VAL A 109 11.290 -3.695 6.668 1.00 15.13 H new ATOM 0 HG22 VAL A 109 10.934 -2.742 5.207 1.00 15.13 H new ATOM 0 HG23 VAL A 109 10.845 -1.978 6.812 1.00 15.13 H new ATOM 1668 N ASP A 110 9.432 -0.100 6.086 1.00 3.43 N ATOM 1669 CA ASP A 110 9.751 1.175 6.685 1.00 34.32 C ATOM 1670 C ASP A 110 8.680 2.177 6.388 1.00 34.33 C ATOM 1671 O ASP A 110 8.208 2.877 7.278 1.00 64.54 O ATOM 1672 CB ASP A 110 11.077 1.668 6.175 1.00 34.52 C ATOM 1673 CG ASP A 110 11.489 3.001 6.776 1.00 32.31 C ATOM 1674 OD1 ASP A 110 11.806 3.054 7.977 1.00 31.15 O ATOM 1675 OD2 ASP A 110 11.553 3.994 6.037 1.00 34.41 O ATOM 0 H ASP A 110 10.026 -0.346 5.294 1.00 3.43 H new ATOM 0 HA ASP A 110 9.813 1.045 7.765 1.00 34.32 H new ATOM 0 HB2 ASP A 110 11.843 0.925 6.395 1.00 34.52 H new ATOM 0 HB3 ASP A 110 11.029 1.765 5.090 1.00 34.52 H new ATOM 1680 N VAL A 111 8.262 2.210 5.140 1.00 54.13 N ATOM 1681 CA VAL A 111 7.227 3.123 4.707 1.00 71.13 C ATOM 1682 C VAL A 111 5.937 2.857 5.480 1.00 11.52 C ATOM 1683 O VAL A 111 5.291 3.778 5.964 1.00 61.15 O ATOM 1684 CB VAL A 111 6.963 3.011 3.171 1.00 15.23 C ATOM 1685 CG1 VAL A 111 5.860 3.969 2.730 1.00 43.35 C ATOM 1686 CG2 VAL A 111 8.239 3.289 2.389 1.00 33.05 C ATOM 0 H VAL A 111 8.628 1.609 4.402 1.00 54.13 H new ATOM 0 HA VAL A 111 7.572 4.137 4.912 1.00 71.13 H new ATOM 0 HB VAL A 111 6.635 1.993 2.963 1.00 15.23 H new ATOM 0 HG11 VAL A 111 5.699 3.869 1.657 1.00 43.35 H new ATOM 0 HG12 VAL A 111 4.938 3.730 3.260 1.00 43.35 H new ATOM 0 HG13 VAL A 111 6.155 4.993 2.958 1.00 43.35 H new ATOM 0 HG21 VAL A 111 8.037 3.207 1.321 1.00 33.05 H new ATOM 0 HG22 VAL A 111 8.592 4.295 2.615 1.00 33.05 H new ATOM 0 HG23 VAL A 111 9.003 2.565 2.670 1.00 33.05 H new ATOM 1696 N VAL A 112 5.617 1.595 5.662 1.00 11.25 N ATOM 1697 CA VAL A 112 4.375 1.229 6.325 1.00 61.02 C ATOM 1698 C VAL A 112 4.417 1.562 7.821 1.00 5.24 C ATOM 1699 O VAL A 112 3.442 2.096 8.371 1.00 3.24 O ATOM 1700 CB VAL A 112 3.976 -0.267 6.100 1.00 55.43 C ATOM 1701 CG1 VAL A 112 2.676 -0.598 6.814 1.00 12.10 C ATOM 1702 CG2 VAL A 112 3.818 -0.569 4.625 1.00 53.24 C ATOM 0 H VAL A 112 6.192 0.807 5.364 1.00 11.25 H new ATOM 0 HA VAL A 112 3.598 1.834 5.858 1.00 61.02 H new ATOM 0 HB VAL A 112 4.778 -0.880 6.510 1.00 55.43 H new ATOM 0 HG11 VAL A 112 2.422 -1.644 6.641 1.00 12.10 H new ATOM 0 HG12 VAL A 112 2.794 -0.425 7.884 1.00 12.10 H new ATOM 0 HG13 VAL A 112 1.878 0.038 6.430 1.00 12.10 H new ATOM 0 HG21 VAL A 112 3.541 -1.615 4.495 1.00 53.24 H new ATOM 0 HG22 VAL A 112 3.040 0.068 4.205 1.00 53.24 H new ATOM 0 HG23 VAL A 112 4.760 -0.377 4.111 1.00 53.24 H new ATOM 1712 N ARG A 113 5.553 1.292 8.483 1.00 32.41 N ATOM 1713 CA ARG A 113 5.654 1.572 9.929 1.00 32.42 C ATOM 1714 C ARG A 113 5.483 3.064 10.225 1.00 2.42 C ATOM 1715 O ARG A 113 4.901 3.436 11.241 1.00 11.54 O ATOM 1716 CB ARG A 113 6.963 1.065 10.540 1.00 34.13 C ATOM 1717 CG ARG A 113 8.198 1.785 10.078 1.00 15.22 C ATOM 1718 CD ARG A 113 9.440 1.250 10.739 1.00 11.34 C ATOM 1719 NE ARG A 113 10.628 1.980 10.291 1.00 54.02 N ATOM 1720 CZ ARG A 113 11.696 2.263 11.028 1.00 1.01 C ATOM 1721 NH1 ARG A 113 11.773 1.879 12.292 1.00 1.42 N ATOM 1722 NH2 ARG A 113 12.690 2.929 10.475 1.00 33.45 N ATOM 0 H ARG A 113 6.391 0.893 8.060 1.00 32.41 H new ATOM 0 HA ARG A 113 4.837 1.023 10.397 1.00 32.42 H new ATOM 0 HB2 ARG A 113 6.896 1.148 11.625 1.00 34.13 H new ATOM 0 HB3 ARG A 113 7.069 0.006 10.307 1.00 34.13 H new ATOM 0 HG2 ARG A 113 8.292 1.688 8.996 1.00 15.22 H new ATOM 0 HG3 ARG A 113 8.101 2.849 10.295 1.00 15.22 H new ATOM 0 HD2 ARG A 113 9.345 1.333 11.822 1.00 11.34 H new ATOM 0 HD3 ARG A 113 9.551 0.190 10.509 1.00 11.34 H new ATOM 0 HE ARG A 113 10.636 2.301 9.323 1.00 54.02 H new ATOM 0 HH11 ARG A 113 11.005 1.357 12.714 1.00 1.42 H new ATOM 0 HH12 ARG A 113 12.601 2.105 12.844 1.00 1.42 H new ATOM 0 HH21 ARG A 113 12.630 3.217 9.498 1.00 33.45 H new ATOM 0 HH22 ARG A 113 13.519 3.156 11.024 1.00 33.45 H new ATOM 1736 N GLN A 114 5.974 3.911 9.327 1.00 23.23 N ATOM 1737 CA GLN A 114 5.854 5.363 9.486 1.00 33.12 C ATOM 1738 C GLN A 114 4.376 5.760 9.519 1.00 55.30 C ATOM 1739 O GLN A 114 3.957 6.552 10.345 1.00 20.42 O ATOM 1740 CB GLN A 114 6.576 6.105 8.344 1.00 72.42 C ATOM 1741 CG GLN A 114 8.056 5.791 8.182 1.00 33.23 C ATOM 1742 CD GLN A 114 8.945 6.464 9.186 1.00 52.31 C ATOM 1743 OE1 GLN A 114 10.107 6.740 8.905 1.00 12.42 O ATOM 1744 NE2 GLN A 114 8.420 6.790 10.318 1.00 4.30 N ATOM 0 H GLN A 114 6.460 3.620 8.479 1.00 23.23 H new ATOM 0 HA GLN A 114 6.326 5.647 10.427 1.00 33.12 H new ATOM 0 HB2 GLN A 114 6.070 5.872 7.407 1.00 72.42 H new ATOM 0 HB3 GLN A 114 6.467 7.177 8.507 1.00 72.42 H new ATOM 0 HG2 GLN A 114 8.196 4.713 8.255 1.00 33.23 H new ATOM 0 HG3 GLN A 114 8.370 6.086 7.181 1.00 33.23 H new ATOM 0 HE21 GLN A 114 7.451 6.545 10.520 1.00 4.30 H new ATOM 0 HE22 GLN A 114 8.974 7.293 11.011 1.00 4.30 H new ATOM 1753 N LEU A 115 3.609 5.164 8.638 1.00 3.20 N ATOM 1754 CA LEU A 115 2.185 5.387 8.521 1.00 31.22 C ATOM 1755 C LEU A 115 1.474 4.907 9.769 1.00 61.14 C ATOM 1756 O LEU A 115 0.574 5.578 10.273 1.00 2.12 O ATOM 1757 CB LEU A 115 1.649 4.664 7.272 1.00 3.04 C ATOM 1758 CG LEU A 115 1.843 5.347 5.883 1.00 11.12 C ATOM 1759 CD1 LEU A 115 3.231 5.931 5.693 1.00 0.42 C ATOM 1760 CD2 LEU A 115 1.592 4.324 4.794 1.00 72.44 C ATOM 0 H LEU A 115 3.968 4.490 7.962 1.00 3.20 H new ATOM 0 HA LEU A 115 1.995 6.455 8.415 1.00 31.22 H new ATOM 0 HB2 LEU A 115 2.120 3.682 7.228 1.00 3.04 H new ATOM 0 HB3 LEU A 115 0.581 4.499 7.416 1.00 3.04 H new ATOM 0 HG LEU A 115 1.134 6.174 5.830 1.00 11.12 H new ATOM 0 HD11 LEU A 115 3.300 6.391 4.707 1.00 0.42 H new ATOM 0 HD12 LEU A 115 3.417 6.684 6.459 1.00 0.42 H new ATOM 0 HD13 LEU A 115 3.974 5.138 5.776 1.00 0.42 H new ATOM 0 HD21 LEU A 115 1.725 4.791 3.818 1.00 72.44 H new ATOM 0 HD22 LEU A 115 2.296 3.499 4.900 1.00 72.44 H new ATOM 0 HD23 LEU A 115 0.574 3.945 4.879 1.00 72.44 H new ATOM 1772 N MET A 116 1.912 3.769 10.289 1.00 72.53 N ATOM 1773 CA MET A 116 1.337 3.219 11.500 1.00 55.43 C ATOM 1774 C MET A 116 1.655 4.108 12.685 1.00 21.14 C ATOM 1775 O MET A 116 0.851 4.261 13.584 1.00 11.41 O ATOM 1776 CB MET A 116 1.809 1.781 11.791 1.00 50.35 C ATOM 1777 CG MET A 116 1.514 0.762 10.699 1.00 44.03 C ATOM 1778 SD MET A 116 1.733 -0.953 11.258 1.00 64.11 S ATOM 1779 CE MET A 116 3.397 -0.926 11.926 1.00 62.51 C ATOM 0 H MET A 116 2.665 3.211 9.887 1.00 72.53 H new ATOM 0 HA MET A 116 0.259 3.180 11.340 1.00 55.43 H new ATOM 0 HB2 MET A 116 2.885 1.799 11.967 1.00 50.35 H new ATOM 0 HB3 MET A 116 1.341 1.443 12.715 1.00 50.35 H new ATOM 0 HG2 MET A 116 0.491 0.897 10.349 1.00 44.03 H new ATOM 0 HG3 MET A 116 2.169 0.948 9.848 1.00 44.03 H new ATOM 0 HE1 MET A 116 3.648 -1.912 12.318 1.00 62.51 H new ATOM 0 HE2 MET A 116 4.101 -0.659 11.138 1.00 62.51 H new ATOM 0 HE3 MET A 116 3.455 -0.191 12.729 1.00 62.51 H new ATOM 1789 N SER A 117 2.821 4.698 12.663 1.00 70.53 N ATOM 1790 CA SER A 117 3.252 5.573 13.719 1.00 32.24 C ATOM 1791 C SER A 117 2.533 6.937 13.626 1.00 62.05 C ATOM 1792 O SER A 117 2.032 7.449 14.621 1.00 52.10 O ATOM 1793 CB SER A 117 4.782 5.739 13.657 1.00 74.45 C ATOM 1794 OG SER A 117 5.279 6.512 14.742 1.00 65.23 O ATOM 0 H SER A 117 3.500 4.584 11.910 1.00 70.53 H new ATOM 0 HA SER A 117 2.989 5.133 14.681 1.00 32.24 H new ATOM 0 HB2 SER A 117 5.254 4.756 13.666 1.00 74.45 H new ATOM 0 HB3 SER A 117 5.057 6.216 12.716 1.00 74.45 H new ATOM 0 HG SER A 117 6.253 6.593 14.667 1.00 65.23 H new ATOM 1800 N MET A 118 2.464 7.496 12.422 1.00 43.34 N ATOM 1801 CA MET A 118 1.832 8.806 12.206 1.00 72.33 C ATOM 1802 C MET A 118 0.327 8.749 12.363 1.00 63.30 C ATOM 1803 O MET A 118 -0.261 9.568 13.057 1.00 30.33 O ATOM 1804 CB MET A 118 2.166 9.377 10.822 1.00 14.21 C ATOM 1805 CG MET A 118 3.631 9.680 10.586 1.00 61.10 C ATOM 1806 SD MET A 118 3.939 10.363 8.937 1.00 45.32 S ATOM 1807 CE MET A 118 3.375 9.023 7.886 1.00 12.54 C ATOM 0 H MET A 118 2.837 7.066 11.575 1.00 43.34 H new ATOM 0 HA MET A 118 2.241 9.462 12.975 1.00 72.33 H new ATOM 0 HB2 MET A 118 1.831 8.669 10.064 1.00 14.21 H new ATOM 0 HB3 MET A 118 1.594 10.293 10.677 1.00 14.21 H new ATOM 0 HG2 MET A 118 3.979 10.387 11.340 1.00 61.10 H new ATOM 0 HG3 MET A 118 4.213 8.767 10.712 1.00 61.10 H new ATOM 0 HE1 MET A 118 3.784 9.150 6.884 1.00 12.54 H new ATOM 0 HE2 MET A 118 3.711 8.071 8.298 1.00 12.54 H new ATOM 0 HE3 MET A 118 2.286 9.032 7.837 1.00 12.54 H new ATOM 1817 N TYR A 119 -0.298 7.785 11.719 1.00 4.12 N ATOM 1818 CA TYR A 119 -1.758 7.704 11.747 1.00 24.54 C ATOM 1819 C TYR A 119 -2.280 6.817 12.856 1.00 13.22 C ATOM 1820 O TYR A 119 -3.497 6.720 13.060 1.00 31.05 O ATOM 1821 CB TYR A 119 -2.304 7.270 10.391 1.00 71.33 C ATOM 1822 CG TYR A 119 -2.024 8.276 9.301 1.00 64.55 C ATOM 1823 CD1 TYR A 119 -2.868 9.358 9.104 1.00 41.32 C ATOM 1824 CD2 TYR A 119 -0.913 8.153 8.475 1.00 5.32 C ATOM 1825 CE1 TYR A 119 -2.617 10.292 8.122 1.00 43.01 C ATOM 1826 CE2 TYR A 119 -0.655 9.083 7.487 1.00 71.20 C ATOM 1827 CZ TYR A 119 -1.512 10.150 7.317 1.00 52.51 C ATOM 1828 OH TYR A 119 -1.257 11.087 6.339 1.00 43.41 O ATOM 0 H TYR A 119 0.165 7.055 11.177 1.00 4.12 H new ATOM 0 HA TYR A 119 -2.122 8.709 11.963 1.00 24.54 H new ATOM 0 HB2 TYR A 119 -1.864 6.311 10.117 1.00 71.33 H new ATOM 0 HB3 TYR A 119 -3.380 7.116 10.470 1.00 71.33 H new ATOM 0 HD1 TYR A 119 -3.739 9.471 9.732 1.00 41.32 H new ATOM 0 HD2 TYR A 119 -0.241 7.318 8.608 1.00 5.32 H new ATOM 0 HE1 TYR A 119 -3.284 11.130 7.986 1.00 43.01 H new ATOM 0 HE2 TYR A 119 0.212 8.975 6.852 1.00 71.20 H new ATOM 0 HH TYR A 119 -0.439 10.843 5.858 1.00 43.41 H new ATOM 1838 N ASN A 120 -1.368 6.187 13.571 1.00 44.13 N ATOM 1839 CA ASN A 120 -1.699 5.283 14.673 1.00 33.23 C ATOM 1840 C ASN A 120 -2.530 4.131 14.211 1.00 54.05 C ATOM 1841 O ASN A 120 -3.738 4.045 14.465 1.00 52.03 O ATOM 1842 CB ASN A 120 -2.302 5.978 15.899 1.00 22.12 C ATOM 1843 CG ASN A 120 -1.333 6.902 16.605 1.00 32.44 C ATOM 1844 OD1 ASN A 120 -1.732 7.911 17.182 1.00 5.40 O ATOM 1845 ND2 ASN A 120 -0.067 6.558 16.601 1.00 53.21 N ATOM 0 H ASN A 120 -0.366 6.284 13.408 1.00 44.13 H new ATOM 0 HA ASN A 120 -0.744 4.887 15.020 1.00 33.23 H new ATOM 0 HB2 ASN A 120 -3.177 6.550 15.589 1.00 22.12 H new ATOM 0 HB3 ASN A 120 -2.648 5.221 16.603 1.00 22.12 H new ATOM 0 HD21 ASN A 120 0.620 7.135 17.087 1.00 53.21 H new ATOM 0 HD22 ASN A 120 0.231 5.714 16.112 1.00 53.21 H new ATOM 1852 N ILE A 121 -1.895 3.303 13.461 1.00 64.23 N ATOM 1853 CA ILE A 121 -2.486 2.133 12.907 1.00 51.43 C ATOM 1854 C ILE A 121 -1.746 0.934 13.478 1.00 44.11 C ATOM 1855 O ILE A 121 -0.524 0.903 13.458 1.00 40.43 O ATOM 1856 CB ILE A 121 -2.346 2.149 11.351 1.00 74.30 C ATOM 1857 CG1 ILE A 121 -3.031 3.402 10.765 1.00 12.33 C ATOM 1858 CG2 ILE A 121 -2.916 0.881 10.731 1.00 24.24 C ATOM 1859 CD1 ILE A 121 -2.841 3.574 9.267 1.00 41.33 C ATOM 0 H ILE A 121 -0.915 3.424 13.206 1.00 64.23 H new ATOM 0 HA ILE A 121 -3.547 2.086 13.154 1.00 51.43 H new ATOM 0 HB ILE A 121 -1.284 2.186 11.107 1.00 74.30 H new ATOM 0 HG12 ILE A 121 -4.098 3.353 10.981 1.00 12.33 H new ATOM 0 HG13 ILE A 121 -2.643 4.285 11.273 1.00 12.33 H new ATOM 0 HG21 ILE A 121 -2.803 0.923 9.648 1.00 24.24 H new ATOM 0 HG22 ILE A 121 -2.380 0.014 11.118 1.00 24.24 H new ATOM 0 HG23 ILE A 121 -3.973 0.796 10.983 1.00 24.24 H new ATOM 0 HD11 ILE A 121 -3.353 4.478 8.937 1.00 41.33 H new ATOM 0 HD12 ILE A 121 -1.778 3.657 9.042 1.00 41.33 H new ATOM 0 HD13 ILE A 121 -3.255 2.711 8.746 1.00 41.33 H new ATOM 1871 N PRO A 122 -2.449 -0.018 14.062 1.00 44.21 N ATOM 1872 CA PRO A 122 -1.824 -1.226 14.560 1.00 61.30 C ATOM 1873 C PRO A 122 -1.455 -2.163 13.408 1.00 51.11 C ATOM 1874 O PRO A 122 -2.090 -2.135 12.347 1.00 72.35 O ATOM 1875 CB PRO A 122 -2.891 -1.846 15.458 1.00 23.03 C ATOM 1876 CG PRO A 122 -4.183 -1.316 14.954 1.00 2.24 C ATOM 1877 CD PRO A 122 -3.897 0.013 14.312 1.00 13.32 C ATOM 0 HA PRO A 122 -0.893 -1.033 15.092 1.00 61.30 H new ATOM 0 HB2 PRO A 122 -2.865 -2.934 15.406 1.00 23.03 H new ATOM 0 HB3 PRO A 122 -2.734 -1.573 16.502 1.00 23.03 H new ATOM 0 HG2 PRO A 122 -4.627 -2.004 14.234 1.00 2.24 H new ATOM 0 HG3 PRO A 122 -4.897 -1.204 15.770 1.00 2.24 H new ATOM 0 HD2 PRO A 122 -4.459 0.139 13.387 1.00 13.32 H new ATOM 0 HD3 PRO A 122 -4.172 0.840 14.967 1.00 13.32 H new ATOM 1885 N ILE A 123 -0.445 -2.991 13.619 1.00 54.21 N ATOM 1886 CA ILE A 123 0.066 -3.875 12.579 1.00 75.12 C ATOM 1887 C ILE A 123 -1.019 -4.860 12.064 1.00 11.52 C ATOM 1888 O ILE A 123 -0.994 -5.288 10.908 1.00 15.30 O ATOM 1889 CB ILE A 123 1.328 -4.653 13.069 1.00 22.41 C ATOM 1890 CG1 ILE A 123 1.955 -5.461 11.937 1.00 42.41 C ATOM 1891 CG2 ILE A 123 0.993 -5.563 14.244 1.00 45.05 C ATOM 1892 CD1 ILE A 123 2.443 -4.620 10.777 1.00 74.34 C ATOM 0 H ILE A 123 0.043 -3.071 14.511 1.00 54.21 H new ATOM 0 HA ILE A 123 0.356 -3.242 11.741 1.00 75.12 H new ATOM 0 HB ILE A 123 2.055 -3.913 13.404 1.00 22.41 H new ATOM 0 HG12 ILE A 123 2.793 -6.034 12.334 1.00 42.41 H new ATOM 0 HG13 ILE A 123 1.223 -6.180 11.569 1.00 42.41 H new ATOM 0 HG21 ILE A 123 1.892 -6.091 14.563 1.00 45.05 H new ATOM 0 HG22 ILE A 123 0.612 -4.964 15.071 1.00 45.05 H new ATOM 0 HG23 ILE A 123 0.236 -6.286 13.940 1.00 45.05 H new ATOM 0 HD11 ILE A 123 2.875 -5.268 10.014 1.00 74.34 H new ATOM 0 HD12 ILE A 123 1.606 -4.067 10.351 1.00 74.34 H new ATOM 0 HD13 ILE A 123 3.200 -3.919 11.129 1.00 74.34 H new ATOM 1904 N GLU A 124 -1.987 -5.181 12.906 1.00 53.54 N ATOM 1905 CA GLU A 124 -3.038 -6.096 12.508 1.00 21.43 C ATOM 1906 C GLU A 124 -4.148 -5.403 11.710 1.00 2.41 C ATOM 1907 O GLU A 124 -5.151 -6.010 11.356 1.00 61.14 O ATOM 1908 CB GLU A 124 -3.557 -6.903 13.689 1.00 23.44 C ATOM 1909 CG GLU A 124 -2.465 -7.772 14.299 1.00 35.04 C ATOM 1910 CD GLU A 124 -2.951 -8.654 15.402 1.00 43.11 C ATOM 1911 OE1 GLU A 124 -3.355 -9.795 15.120 1.00 11.10 O ATOM 1912 OE2 GLU A 124 -2.914 -8.235 16.575 1.00 11.05 O ATOM 0 H GLU A 124 -2.065 -4.825 13.859 1.00 53.54 H new ATOM 0 HA GLU A 124 -2.596 -6.815 11.819 1.00 21.43 H new ATOM 0 HB2 GLU A 124 -3.950 -6.226 14.448 1.00 23.44 H new ATOM 0 HB3 GLU A 124 -4.385 -7.533 13.364 1.00 23.44 H new ATOM 0 HG2 GLU A 124 -2.025 -8.391 13.517 1.00 35.04 H new ATOM 0 HG3 GLU A 124 -1.672 -7.130 14.681 1.00 35.04 H new ATOM 1919 N ASN A 125 -3.940 -4.130 11.421 1.00 11.42 N ATOM 1920 CA ASN A 125 -4.811 -3.385 10.523 1.00 63.45 C ATOM 1921 C ASN A 125 -4.251 -3.407 9.129 1.00 70.31 C ATOM 1922 O ASN A 125 -4.862 -2.896 8.185 1.00 72.32 O ATOM 1923 CB ASN A 125 -5.026 -1.946 10.968 1.00 71.23 C ATOM 1924 CG ASN A 125 -6.075 -1.784 12.034 1.00 73.41 C ATOM 1925 OD1 ASN A 125 -6.324 -2.677 12.838 1.00 31.20 O ATOM 1926 ND2 ASN A 125 -6.693 -0.628 12.058 1.00 4.21 N ATOM 0 H ASN A 125 -3.166 -3.584 11.800 1.00 11.42 H new ATOM 0 HA ASN A 125 -5.784 -3.877 10.545 1.00 63.45 H new ATOM 0 HB2 ASN A 125 -4.082 -1.546 11.338 1.00 71.23 H new ATOM 0 HB3 ASN A 125 -5.308 -1.347 10.102 1.00 71.23 H new ATOM 0 HD21 ASN A 125 -7.408 -0.447 12.762 1.00 4.21 H new ATOM 0 HD22 ASN A 125 -6.458 0.090 11.373 1.00 4.21 H new ATOM 1933 N VAL A 126 -3.074 -3.975 8.997 1.00 1.24 N ATOM 1934 CA VAL A 126 -2.483 -4.152 7.704 1.00 73.05 C ATOM 1935 C VAL A 126 -3.025 -5.460 7.149 1.00 35.35 C ATOM 1936 O VAL A 126 -2.785 -6.530 7.712 1.00 52.51 O ATOM 1937 CB VAL A 126 -0.933 -4.213 7.784 1.00 12.44 C ATOM 1938 CG1 VAL A 126 -0.323 -4.322 6.398 1.00 5.02 C ATOM 1939 CG2 VAL A 126 -0.374 -3.000 8.522 1.00 74.54 C ATOM 0 H VAL A 126 -2.512 -4.321 9.775 1.00 1.24 H new ATOM 0 HA VAL A 126 -2.732 -3.307 7.062 1.00 73.05 H new ATOM 0 HB VAL A 126 -0.664 -5.106 8.347 1.00 12.44 H new ATOM 0 HG11 VAL A 126 0.763 -4.363 6.481 1.00 5.02 H new ATOM 0 HG12 VAL A 126 -0.684 -5.228 5.912 1.00 5.02 H new ATOM 0 HG13 VAL A 126 -0.609 -3.453 5.805 1.00 5.02 H new ATOM 0 HG21 VAL A 126 0.713 -3.068 8.563 1.00 74.54 H new ATOM 0 HG22 VAL A 126 -0.660 -2.090 7.995 1.00 74.54 H new ATOM 0 HG23 VAL A 126 -0.775 -2.974 9.535 1.00 74.54 H new ATOM 1949 N ARG A 127 -3.765 -5.373 6.080 1.00 55.10 N ATOM 1950 CA ARG A 127 -4.431 -6.523 5.502 1.00 72.55 C ATOM 1951 C ARG A 127 -4.171 -6.612 4.012 1.00 30.40 C ATOM 1952 O ARG A 127 -3.634 -5.675 3.399 1.00 31.11 O ATOM 1953 CB ARG A 127 -5.937 -6.450 5.777 1.00 71.05 C ATOM 1954 CG ARG A 127 -6.309 -6.486 7.255 1.00 63.21 C ATOM 1955 CD ARG A 127 -5.891 -7.799 7.897 1.00 44.32 C ATOM 1956 NE ARG A 127 -6.220 -7.851 9.319 1.00 33.14 N ATOM 1957 CZ ARG A 127 -6.103 -8.936 10.086 1.00 55.02 C ATOM 1958 NH1 ARG A 127 -5.674 -10.082 9.562 1.00 2.14 N ATOM 1959 NH2 ARG A 127 -6.414 -8.868 11.376 1.00 11.44 N ATOM 0 H ARG A 127 -3.929 -4.501 5.577 1.00 55.10 H new ATOM 0 HA ARG A 127 -4.027 -7.422 5.968 1.00 72.55 H new ATOM 0 HB2 ARG A 127 -6.330 -5.533 5.338 1.00 71.05 H new ATOM 0 HB3 ARG A 127 -6.427 -7.282 5.271 1.00 71.05 H new ATOM 0 HG2 ARG A 127 -5.829 -5.656 7.773 1.00 63.21 H new ATOM 0 HG3 ARG A 127 -7.385 -6.351 7.365 1.00 63.21 H new ATOM 0 HD2 ARG A 127 -6.382 -8.625 7.382 1.00 44.32 H new ATOM 0 HD3 ARG A 127 -4.817 -7.937 7.770 1.00 44.32 H new ATOM 0 HE ARG A 127 -6.564 -6.996 9.757 1.00 33.14 H new ATOM 0 HH11 ARG A 127 -5.434 -10.132 8.572 1.00 2.14 H new ATOM 0 HH12 ARG A 127 -5.585 -10.910 10.151 1.00 2.14 H new ATOM 0 HH21 ARG A 127 -6.741 -7.989 11.776 1.00 11.44 H new ATOM 0 HH22 ARG A 127 -6.326 -9.695 11.966 1.00 11.44 H new ATOM 1973 N THR A 128 -4.528 -7.733 3.426 1.00 71.41 N ATOM 1974 CA THR A 128 -4.318 -7.936 2.025 1.00 53.12 C ATOM 1975 C THR A 128 -5.572 -7.505 1.271 1.00 62.03 C ATOM 1976 O THR A 128 -6.608 -7.241 1.876 1.00 53.11 O ATOM 1977 CB THR A 128 -4.066 -9.441 1.700 1.00 63.13 C ATOM 1978 OG1 THR A 128 -5.267 -10.179 1.825 1.00 74.20 O ATOM 1979 CG2 THR A 128 -3.056 -10.047 2.644 1.00 12.04 C ATOM 0 H THR A 128 -4.967 -8.517 3.908 1.00 71.41 H new ATOM 0 HA THR A 128 -3.447 -7.353 1.727 1.00 53.12 H new ATOM 0 HB THR A 128 -3.688 -9.487 0.679 1.00 63.13 H new ATOM 0 HG1 THR A 128 -5.440 -10.365 2.772 1.00 74.20 H new ATOM 0 HG21 THR A 128 -2.904 -11.096 2.390 1.00 12.04 H new ATOM 0 HG22 THR A 128 -2.110 -9.512 2.558 1.00 12.04 H new ATOM 0 HG23 THR A 128 -3.423 -9.971 3.667 1.00 12.04 H new ATOM 1987 N HIS A 129 -5.486 -7.460 -0.050 1.00 23.35 N ATOM 1988 CA HIS A 129 -6.655 -7.164 -0.880 1.00 74.43 C ATOM 1989 C HIS A 129 -7.642 -8.348 -0.749 1.00 13.44 C ATOM 1990 O HIS A 129 -8.857 -8.190 -0.866 1.00 14.30 O ATOM 1991 CB HIS A 129 -6.208 -6.977 -2.355 1.00 21.43 C ATOM 1992 CG HIS A 129 -7.265 -6.450 -3.329 1.00 32.32 C ATOM 1993 ND1 HIS A 129 -6.953 -5.756 -4.483 1.00 12.43 N ATOM 1994 CD2 HIS A 129 -8.616 -6.553 -3.338 1.00 61.11 C ATOM 1995 CE1 HIS A 129 -8.055 -5.464 -5.146 1.00 30.35 C ATOM 1996 NE2 HIS A 129 -9.071 -5.938 -4.472 1.00 13.45 N ATOM 0 H HIS A 129 -4.626 -7.623 -0.573 1.00 23.35 H new ATOM 0 HA HIS A 129 -7.142 -6.244 -0.556 1.00 74.43 H new ATOM 0 HB2 HIS A 129 -5.360 -6.293 -2.370 1.00 21.43 H new ATOM 0 HB3 HIS A 129 -5.850 -7.937 -2.727 1.00 21.43 H new ATOM 0 HD2 HIS A 129 -9.224 -7.034 -2.586 1.00 61.11 H new ATOM 0 HE1 HIS A 129 -8.109 -4.927 -6.082 1.00 30.35 H new ATOM 0 HE2 HIS A 129 -10.050 -5.861 -4.749 1.00 13.45 H new ATOM 2004 N GLN A 130 -7.095 -9.522 -0.464 1.00 34.34 N ATOM 2005 CA GLN A 130 -7.887 -10.721 -0.310 1.00 3.41 C ATOM 2006 C GLN A 130 -8.585 -10.751 1.046 1.00 60.24 C ATOM 2007 O GLN A 130 -9.635 -11.352 1.205 1.00 70.15 O ATOM 2008 CB GLN A 130 -7.041 -11.990 -0.546 1.00 31.30 C ATOM 2009 CG GLN A 130 -7.800 -13.272 -0.259 1.00 20.53 C ATOM 2010 CD GLN A 130 -7.034 -14.515 -0.519 1.00 0.32 C ATOM 2011 OE1 GLN A 130 -7.179 -15.504 0.191 1.00 54.42 O ATOM 2012 NE2 GLN A 130 -6.361 -14.533 -1.596 1.00 42.33 N ATOM 0 H GLN A 130 -6.093 -9.663 -0.335 1.00 34.34 H new ATOM 0 HA GLN A 130 -8.663 -10.706 -1.075 1.00 3.41 H new ATOM 0 HB2 GLN A 130 -6.696 -12.003 -1.580 1.00 31.30 H new ATOM 0 HB3 GLN A 130 -6.154 -11.951 0.086 1.00 31.30 H new ATOM 0 HG2 GLN A 130 -8.115 -13.266 0.785 1.00 20.53 H new ATOM 0 HG3 GLN A 130 -8.706 -13.286 -0.865 1.00 20.53 H new ATOM 0 HE21 GLN A 130 -6.269 -13.684 -2.154 1.00 42.33 H new ATOM 0 HE22 GLN A 130 -5.913 -15.396 -1.903 1.00 42.33 H new ATOM 2021 N SER A 131 -8.013 -10.062 1.985 1.00 44.03 N ATOM 2022 CA SER A 131 -8.548 -10.003 3.333 1.00 3.02 C ATOM 2023 C SER A 131 -9.848 -9.211 3.361 1.00 60.43 C ATOM 2024 O SER A 131 -10.672 -9.377 4.253 1.00 64.25 O ATOM 2025 CB SER A 131 -7.528 -9.360 4.263 1.00 60.03 C ATOM 2026 OG SER A 131 -6.293 -10.079 4.253 1.00 64.40 O ATOM 0 H SER A 131 -7.160 -9.520 1.850 1.00 44.03 H new ATOM 0 HA SER A 131 -8.756 -11.018 3.670 1.00 3.02 H new ATOM 0 HB2 SER A 131 -7.353 -8.328 3.958 1.00 60.03 H new ATOM 0 HB3 SER A 131 -7.926 -9.329 5.277 1.00 60.03 H new ATOM 0 HG SER A 131 -5.854 -9.987 5.124 1.00 64.40 H new ATOM 2032 N TRP A 132 -10.025 -8.364 2.372 1.00 72.10 N ATOM 2033 CA TRP A 132 -11.208 -7.546 2.301 1.00 14.21 C ATOM 2034 C TRP A 132 -12.254 -8.204 1.440 1.00 52.15 C ATOM 2035 O TRP A 132 -13.355 -8.513 1.897 1.00 22.32 O ATOM 2036 CB TRP A 132 -10.901 -6.164 1.739 1.00 14.14 C ATOM 2037 CG TRP A 132 -9.892 -5.367 2.518 1.00 32.33 C ATOM 2038 CD1 TRP A 132 -8.729 -4.851 2.042 1.00 32.32 C ATOM 2039 CD2 TRP A 132 -9.940 -5.016 3.910 1.00 51.13 C ATOM 2040 NE1 TRP A 132 -8.073 -4.174 3.027 1.00 31.10 N ATOM 2041 CE2 TRP A 132 -8.781 -4.267 4.186 1.00 74.33 C ATOM 2042 CE3 TRP A 132 -10.847 -5.251 4.943 1.00 5.43 C ATOM 2043 CZ2 TRP A 132 -8.506 -3.755 5.448 1.00 60.43 C ATOM 2044 CZ3 TRP A 132 -10.569 -4.745 6.194 1.00 3.34 C ATOM 2045 CH2 TRP A 132 -9.409 -4.004 6.437 1.00 75.14 C ATOM 0 H TRP A 132 -9.364 -8.226 1.608 1.00 72.10 H new ATOM 0 HA TRP A 132 -11.583 -7.435 3.318 1.00 14.21 H new ATOM 0 HB2 TRP A 132 -10.540 -6.277 0.717 1.00 14.14 H new ATOM 0 HB3 TRP A 132 -11.829 -5.595 1.689 1.00 14.14 H new ATOM 0 HD1 TRP A 132 -8.375 -4.961 1.028 1.00 32.32 H new ATOM 0 HE1 TRP A 132 -7.190 -3.676 2.913 1.00 31.10 H new ATOM 0 HE3 TRP A 132 -11.749 -5.818 4.766 1.00 5.43 H new ATOM 0 HZ2 TRP A 132 -7.611 -3.182 5.638 1.00 60.43 H new ATOM 0 HZ3 TRP A 132 -11.261 -4.925 7.003 1.00 3.34 H new ATOM 0 HH2 TRP A 132 -9.225 -3.621 7.430 1.00 75.14 H new ATOM 2056 N SER A 133 -11.909 -8.427 0.210 1.00 24.23 N ATOM 2057 CA SER A 133 -12.805 -8.988 -0.731 1.00 11.23 C ATOM 2058 C SER A 133 -12.359 -10.391 -1.052 1.00 52.33 C ATOM 2059 O SER A 133 -13.084 -11.362 -0.833 1.00 2.33 O ATOM 2060 CB SER A 133 -12.827 -8.090 -1.967 1.00 21.34 C ATOM 2061 OG SER A 133 -11.498 -7.826 -2.438 1.00 60.21 O ATOM 0 H SER A 133 -10.984 -8.219 -0.166 1.00 24.23 H new ATOM 0 HA SER A 133 -13.819 -9.047 -0.335 1.00 11.23 H new ATOM 0 HB2 SER A 133 -13.408 -8.567 -2.756 1.00 21.34 H new ATOM 0 HB3 SER A 133 -13.325 -7.150 -1.729 1.00 21.34 H new ATOM 0 HG SER A 133 -11.406 -6.872 -2.641 1.00 60.21 H new ATOM 2067 N GLY A 134 -11.155 -10.496 -1.529 1.00 73.54 N ATOM 2068 CA GLY A 134 -10.608 -11.776 -1.820 1.00 22.32 C ATOM 2069 C GLY A 134 -9.756 -11.794 -3.050 1.00 14.03 C ATOM 2070 O GLY A 134 -9.370 -12.872 -3.519 1.00 53.31 O ATOM 0 H GLY A 134 -10.537 -9.708 -1.723 1.00 73.54 H new ATOM 0 HA2 GLY A 134 -10.013 -12.110 -0.970 1.00 22.32 H new ATOM 0 HA3 GLY A 134 -11.421 -12.491 -1.940 1.00 22.32 H new ATOM 2074 N LYS A 135 -9.435 -10.628 -3.585 1.00 54.31 N ATOM 2075 CA LYS A 135 -8.612 -10.580 -4.734 1.00 5.55 C ATOM 2076 C LYS A 135 -7.175 -10.794 -4.345 1.00 2.14 C ATOM 2077 O LYS A 135 -6.643 -10.119 -3.441 1.00 70.31 O ATOM 2078 CB LYS A 135 -8.805 -9.295 -5.506 1.00 51.12 C ATOM 2079 CG LYS A 135 -7.868 -9.177 -6.667 1.00 11.00 C ATOM 2080 CD LYS A 135 -8.190 -8.007 -7.536 1.00 51.43 C ATOM 2081 CE LYS A 135 -7.195 -7.939 -8.642 1.00 22.01 C ATOM 2082 NZ LYS A 135 -7.477 -6.848 -9.595 1.00 72.30 N ATOM 0 H LYS A 135 -9.739 -9.721 -3.230 1.00 54.31 H new ATOM 0 HA LYS A 135 -8.906 -11.387 -5.405 1.00 5.55 H new ATOM 0 HB2 LYS A 135 -9.833 -9.242 -5.866 1.00 51.12 H new ATOM 0 HB3 LYS A 135 -8.658 -8.447 -4.837 1.00 51.12 H new ATOM 0 HG2 LYS A 135 -6.846 -9.083 -6.299 1.00 11.00 H new ATOM 0 HG3 LYS A 135 -7.911 -10.090 -7.260 1.00 11.00 H new ATOM 0 HD2 LYS A 135 -9.197 -8.104 -7.941 1.00 51.43 H new ATOM 0 HD3 LYS A 135 -8.168 -7.087 -6.952 1.00 51.43 H new ATOM 0 HE2 LYS A 135 -6.199 -7.800 -8.221 1.00 22.01 H new ATOM 0 HE3 LYS A 135 -7.186 -8.889 -9.176 1.00 22.01 H new ATOM 0 HZ1 LYS A 135 -6.755 -6.846 -10.344 1.00 72.30 H new ATOM 0 HZ2 LYS A 135 -8.416 -6.992 -10.019 1.00 72.30 H new ATOM 0 HZ3 LYS A 135 -7.459 -5.937 -9.094 1.00 72.30 H new ATOM 2096 N TYR A 136 -6.561 -11.719 -5.008 1.00 22.13 N ATOM 2097 CA TYR A 136 -5.243 -12.131 -4.711 1.00 10.32 C ATOM 2098 C TYR A 136 -4.260 -11.096 -5.241 1.00 71.24 C ATOM 2099 O TYR A 136 -3.998 -11.025 -6.431 1.00 65.53 O ATOM 2100 CB TYR A 136 -5.020 -13.491 -5.369 1.00 24.01 C ATOM 2101 CG TYR A 136 -3.929 -14.352 -4.792 1.00 71.13 C ATOM 2102 CD1 TYR A 136 -3.970 -14.734 -3.466 1.00 24.15 C ATOM 2103 CD2 TYR A 136 -2.891 -14.828 -5.577 1.00 52.12 C ATOM 2104 CE1 TYR A 136 -3.005 -15.563 -2.935 1.00 51.24 C ATOM 2105 CE2 TYR A 136 -1.921 -15.653 -5.049 1.00 44.20 C ATOM 2106 CZ TYR A 136 -1.986 -16.017 -3.728 1.00 15.02 C ATOM 2107 OH TYR A 136 -1.029 -16.843 -3.194 1.00 74.43 O ATOM 0 H TYR A 136 -6.981 -12.218 -5.792 1.00 22.13 H new ATOM 0 HA TYR A 136 -5.089 -12.219 -3.636 1.00 10.32 H new ATOM 0 HB2 TYR A 136 -5.955 -14.049 -5.321 1.00 24.01 H new ATOM 0 HB3 TYR A 136 -4.801 -13.326 -6.424 1.00 24.01 H new ATOM 0 HD1 TYR A 136 -4.771 -14.378 -2.835 1.00 24.15 H new ATOM 0 HD2 TYR A 136 -2.841 -14.548 -6.619 1.00 52.12 H new ATOM 0 HE1 TYR A 136 -3.053 -15.853 -1.896 1.00 51.24 H new ATOM 0 HE2 TYR A 136 -1.114 -16.011 -5.672 1.00 44.20 H new ATOM 0 HH TYR A 136 -0.183 -16.354 -3.113 1.00 74.43 H new ATOM 2117 N CYS A 137 -3.814 -10.243 -4.359 1.00 52.12 N ATOM 2118 CA CYS A 137 -2.766 -9.264 -4.690 1.00 61.11 C ATOM 2119 C CYS A 137 -1.412 -9.584 -4.126 1.00 25.21 C ATOM 2120 O CYS A 137 -0.458 -9.635 -4.873 1.00 50.55 O ATOM 2121 CB CYS A 137 -3.152 -7.804 -4.490 1.00 13.32 C ATOM 2122 SG CYS A 137 -4.097 -7.162 -5.846 1.00 21.11 S ATOM 0 H CYS A 137 -4.150 -10.191 -3.397 1.00 52.12 H new ATOM 0 HA CYS A 137 -2.672 -9.382 -5.770 1.00 61.11 H new ATOM 0 HB2 CYS A 137 -3.729 -7.706 -3.570 1.00 13.32 H new ATOM 0 HB3 CYS A 137 -2.249 -7.206 -4.365 1.00 13.32 H new ATOM 0 HG CYS A 137 -5.199 -6.639 -5.398 1.00 21.11 H new ATOM 2127 N PRO A 138 -1.260 -9.793 -2.801 1.00 21.00 N ATOM 2128 CA PRO A 138 0.022 -10.203 -2.249 1.00 42.03 C ATOM 2129 C PRO A 138 0.275 -11.691 -2.532 1.00 31.21 C ATOM 2130 O PRO A 138 0.511 -12.486 -1.624 1.00 1.21 O ATOM 2131 CB PRO A 138 -0.133 -9.935 -0.759 1.00 50.33 C ATOM 2132 CG PRO A 138 -1.569 -10.089 -0.506 1.00 2.12 C ATOM 2133 CD PRO A 138 -2.275 -9.623 -1.743 1.00 21.32 C ATOM 0 HA PRO A 138 0.871 -9.673 -2.680 1.00 42.03 H new ATOM 0 HB2 PRO A 138 0.452 -10.638 -0.166 1.00 50.33 H new ATOM 0 HB3 PRO A 138 0.211 -8.934 -0.498 1.00 50.33 H new ATOM 0 HG2 PRO A 138 -1.815 -11.128 -0.288 1.00 2.12 H new ATOM 0 HG3 PRO A 138 -1.875 -9.501 0.359 1.00 2.12 H new ATOM 0 HD2 PRO A 138 -3.168 -10.216 -1.944 1.00 21.32 H new ATOM 0 HD3 PRO A 138 -2.595 -8.585 -1.656 1.00 21.32 H new ATOM 2141 N HIS A 139 0.239 -12.026 -3.816 1.00 24.13 N ATOM 2142 CA HIS A 139 0.419 -13.367 -4.328 1.00 13.31 C ATOM 2143 C HIS A 139 1.665 -14.040 -3.760 1.00 64.33 C ATOM 2144 O HIS A 139 1.580 -15.143 -3.233 1.00 42.52 O ATOM 2145 CB HIS A 139 0.455 -13.358 -5.887 1.00 31.05 C ATOM 2146 CG HIS A 139 1.590 -12.566 -6.507 1.00 4.42 C ATOM 2147 ND1 HIS A 139 2.736 -13.135 -7.012 1.00 53.54 N ATOM 2148 CD2 HIS A 139 1.742 -11.232 -6.667 1.00 70.24 C ATOM 2149 CE1 HIS A 139 3.533 -12.161 -7.438 1.00 4.24 C ATOM 2150 NE2 HIS A 139 2.975 -10.979 -7.253 1.00 54.52 N ATOM 0 H HIS A 139 0.077 -11.340 -4.553 1.00 24.13 H new ATOM 0 HA HIS A 139 -0.438 -13.956 -4.000 1.00 13.31 H new ATOM 0 HB2 HIS A 139 0.519 -14.388 -6.238 1.00 31.05 H new ATOM 0 HB3 HIS A 139 -0.489 -12.955 -6.253 1.00 31.05 H new ATOM 0 HD1 HIS A 139 2.939 -14.134 -7.053 1.00 53.54 H new ATOM 0 HD2 HIS A 139 1.019 -10.482 -6.384 1.00 70.24 H new ATOM 0 HE1 HIS A 139 4.508 -12.316 -7.877 1.00 4.24 H new ATOM 2158 N ARG A 140 2.791 -13.341 -3.829 1.00 35.25 N ATOM 2159 CA ARG A 140 4.056 -13.841 -3.398 1.00 12.34 C ATOM 2160 C ARG A 140 3.998 -14.113 -1.899 1.00 21.34 C ATOM 2161 O ARG A 140 4.376 -15.185 -1.429 1.00 44.14 O ATOM 2162 CB ARG A 140 5.147 -12.796 -3.700 1.00 74.32 C ATOM 2163 CG ARG A 140 6.558 -13.319 -3.535 1.00 60.42 C ATOM 2164 CD ARG A 140 6.880 -14.346 -4.612 1.00 23.04 C ATOM 2165 NE ARG A 140 8.164 -14.998 -4.385 1.00 52.20 N ATOM 2166 CZ ARG A 140 8.965 -15.489 -5.331 1.00 25.33 C ATOM 2167 NH1 ARG A 140 8.665 -15.341 -6.616 1.00 11.52 N ATOM 2168 NH2 ARG A 140 10.063 -16.137 -4.985 1.00 15.35 N ATOM 0 H ARG A 140 2.833 -12.391 -4.197 1.00 35.25 H new ATOM 0 HA ARG A 140 4.291 -14.765 -3.925 1.00 12.34 H new ATOM 0 HB2 ARG A 140 5.020 -12.437 -4.721 1.00 74.32 H new ATOM 0 HB3 ARG A 140 5.008 -11.939 -3.041 1.00 74.32 H new ATOM 0 HG2 ARG A 140 7.266 -12.492 -3.590 1.00 60.42 H new ATOM 0 HG3 ARG A 140 6.671 -13.770 -2.549 1.00 60.42 H new ATOM 0 HD2 ARG A 140 6.092 -15.099 -4.641 1.00 23.04 H new ATOM 0 HD3 ARG A 140 6.890 -13.857 -5.586 1.00 23.04 H new ATOM 0 HE ARG A 140 8.477 -15.086 -3.418 1.00 52.20 H new ATOM 0 HH11 ARG A 140 7.815 -14.848 -6.888 1.00 11.52 H new ATOM 0 HH12 ARG A 140 9.285 -15.721 -7.331 1.00 11.52 H new ATOM 0 HH21 ARG A 140 10.294 -16.259 -3.999 1.00 15.35 H new ATOM 0 HH22 ARG A 140 10.680 -16.515 -5.704 1.00 15.35 H new ATOM 2182 N MET A 141 3.466 -13.154 -1.168 1.00 73.21 N ATOM 2183 CA MET A 141 3.373 -13.252 0.273 1.00 22.32 C ATOM 2184 C MET A 141 2.470 -14.372 0.700 1.00 35.33 C ATOM 2185 O MET A 141 2.792 -15.108 1.609 1.00 61.50 O ATOM 2186 CB MET A 141 2.849 -11.983 0.876 1.00 60.31 C ATOM 2187 CG MET A 141 3.717 -10.788 0.700 1.00 0.22 C ATOM 2188 SD MET A 141 2.912 -9.349 1.349 1.00 25.32 S ATOM 2189 CE MET A 141 4.255 -8.240 1.385 1.00 13.12 C ATOM 0 H MET A 141 3.088 -12.289 -1.555 1.00 73.21 H new ATOM 0 HA MET A 141 4.386 -13.444 0.626 1.00 22.32 H new ATOM 0 HB2 MET A 141 1.873 -11.770 0.440 1.00 60.31 H new ATOM 0 HB3 MET A 141 2.694 -12.144 1.943 1.00 60.31 H new ATOM 0 HG2 MET A 141 4.669 -10.942 1.209 1.00 0.22 H new ATOM 0 HG3 MET A 141 3.940 -10.644 -0.357 1.00 0.22 H new ATOM 0 HE1 MET A 141 3.907 -7.257 1.703 1.00 13.12 H new ATOM 0 HE2 MET A 141 5.008 -8.603 2.085 1.00 13.12 H new ATOM 0 HE3 MET A 141 4.692 -8.165 0.389 1.00 13.12 H new ATOM 2199 N LEU A 142 1.348 -14.503 0.055 1.00 1.00 N ATOM 2200 CA LEU A 142 0.385 -15.493 0.456 1.00 12.54 C ATOM 2201 C LEU A 142 0.809 -16.899 0.052 1.00 14.20 C ATOM 2202 O LEU A 142 0.671 -17.842 0.831 1.00 2.11 O ATOM 2203 CB LEU A 142 -1.008 -15.146 -0.072 1.00 25.25 C ATOM 2204 CG LEU A 142 -1.623 -13.822 0.441 1.00 33.11 C ATOM 2205 CD1 LEU A 142 -2.981 -13.567 -0.192 1.00 64.44 C ATOM 2206 CD2 LEU A 142 -1.751 -13.828 1.955 1.00 73.43 C ATOM 0 H LEU A 142 1.075 -13.939 -0.750 1.00 1.00 H new ATOM 0 HA LEU A 142 0.339 -15.483 1.545 1.00 12.54 H new ATOM 0 HB2 LEU A 142 -0.961 -15.103 -1.160 1.00 25.25 H new ATOM 0 HB3 LEU A 142 -1.685 -15.961 0.186 1.00 25.25 H new ATOM 0 HG LEU A 142 -0.948 -13.017 0.152 1.00 33.11 H new ATOM 0 HD11 LEU A 142 -3.389 -12.630 0.187 1.00 64.44 H new ATOM 0 HD12 LEU A 142 -2.872 -13.503 -1.275 1.00 64.44 H new ATOM 0 HD13 LEU A 142 -3.658 -14.384 0.057 1.00 64.44 H new ATOM 0 HD21 LEU A 142 -2.186 -12.885 2.287 1.00 73.43 H new ATOM 0 HD22 LEU A 142 -2.394 -14.653 2.263 1.00 73.43 H new ATOM 0 HD23 LEU A 142 -0.765 -13.950 2.403 1.00 73.43 H new ATOM 2218 N ALA A 143 1.376 -17.028 -1.135 1.00 73.44 N ATOM 2219 CA ALA A 143 1.781 -18.326 -1.643 1.00 11.43 C ATOM 2220 C ALA A 143 2.980 -18.854 -0.899 1.00 32.41 C ATOM 2221 O ALA A 143 3.101 -20.063 -0.675 1.00 23.34 O ATOM 2222 CB ALA A 143 2.087 -18.249 -3.122 1.00 10.02 C ATOM 0 H ALA A 143 1.566 -16.249 -1.765 1.00 73.44 H new ATOM 0 HA ALA A 143 0.950 -19.014 -1.488 1.00 11.43 H new ATOM 0 HB1 ALA A 143 2.389 -19.232 -3.483 1.00 10.02 H new ATOM 0 HB2 ALA A 143 1.198 -17.922 -3.661 1.00 10.02 H new ATOM 0 HB3 ALA A 143 2.895 -17.537 -3.290 1.00 10.02 H new ATOM 2228 N GLU A 144 3.861 -17.967 -0.503 1.00 0.30 N ATOM 2229 CA GLU A 144 5.063 -18.393 0.176 1.00 22.13 C ATOM 2230 C GLU A 144 4.920 -18.260 1.692 1.00 74.05 C ATOM 2231 O GLU A 144 5.820 -18.632 2.449 1.00 72.21 O ATOM 2232 CB GLU A 144 6.277 -17.606 -0.300 1.00 14.32 C ATOM 2233 CG GLU A 144 6.454 -17.556 -1.804 1.00 73.45 C ATOM 2234 CD GLU A 144 7.848 -17.126 -2.179 1.00 55.24 C ATOM 2235 OE1 GLU A 144 8.219 -15.967 -1.912 1.00 3.24 O ATOM 2236 OE2 GLU A 144 8.593 -17.945 -2.766 1.00 22.13 O ATOM 0 H GLU A 144 3.772 -16.960 -0.636 1.00 0.30 H new ATOM 0 HA GLU A 144 5.213 -19.444 -0.069 1.00 22.13 H new ATOM 0 HB2 GLU A 144 6.201 -16.586 0.077 1.00 14.32 H new ATOM 0 HB3 GLU A 144 7.172 -18.043 0.142 1.00 14.32 H new ATOM 0 HG2 GLU A 144 6.248 -18.538 -2.229 1.00 73.45 H new ATOM 0 HG3 GLU A 144 5.730 -16.864 -2.234 1.00 73.45 H new ATOM 2243 N GLY A 145 3.792 -17.728 2.134 1.00 73.13 N ATOM 2244 CA GLY A 145 3.563 -17.548 3.560 1.00 33.34 C ATOM 2245 C GLY A 145 4.498 -16.515 4.149 1.00 40.15 C ATOM 2246 O GLY A 145 5.048 -16.706 5.227 1.00 14.31 O ATOM 0 H GLY A 145 3.028 -17.416 1.535 1.00 73.13 H new ATOM 0 HA2 GLY A 145 2.530 -17.242 3.727 1.00 33.34 H new ATOM 0 HA3 GLY A 145 3.701 -18.499 4.074 1.00 33.34 H new ATOM 2250 N ARG A 146 4.715 -15.443 3.413 1.00 33.03 N ATOM 2251 CA ARG A 146 5.610 -14.385 3.845 1.00 72.44 C ATOM 2252 C ARG A 146 4.831 -13.203 4.406 1.00 4.15 C ATOM 2253 O ARG A 146 5.424 -12.277 4.910 1.00 45.04 O ATOM 2254 CB ARG A 146 6.495 -13.872 2.700 1.00 21.23 C ATOM 2255 CG ARG A 146 7.397 -14.889 1.991 1.00 10.13 C ATOM 2256 CD ARG A 146 8.377 -15.611 2.919 1.00 34.12 C ATOM 2257 NE ARG A 146 7.754 -16.703 3.677 1.00 24.02 N ATOM 2258 CZ ARG A 146 8.396 -17.493 4.545 1.00 53.42 C ATOM 2259 NH1 ARG A 146 9.664 -17.237 4.885 1.00 34.42 N ATOM 2260 NH2 ARG A 146 7.766 -18.534 5.080 1.00 43.02 N ATOM 0 H ARG A 146 4.280 -15.280 2.505 1.00 33.03 H new ATOM 0 HA ARG A 146 6.242 -14.822 4.618 1.00 72.44 H new ATOM 0 HB2 ARG A 146 5.846 -13.419 1.951 1.00 21.23 H new ATOM 0 HB3 ARG A 146 7.129 -13.078 3.095 1.00 21.23 H new ATOM 0 HG2 ARG A 146 6.770 -15.630 1.495 1.00 10.13 H new ATOM 0 HG3 ARG A 146 7.962 -14.376 1.212 1.00 10.13 H new ATOM 0 HD2 ARG A 146 9.201 -16.011 2.328 1.00 34.12 H new ATOM 0 HD3 ARG A 146 8.805 -14.891 3.616 1.00 34.12 H new ATOM 0 HE ARG A 146 6.759 -16.872 3.531 1.00 24.02 H new ATOM 0 HH11 ARG A 146 10.148 -16.435 4.482 1.00 34.42 H new ATOM 0 HH12 ARG A 146 10.147 -17.844 5.548 1.00 34.42 H new ATOM 0 HH21 ARG A 146 6.797 -18.728 4.828 1.00 43.02 H new ATOM 0 HH22 ARG A 146 8.252 -19.139 5.742 1.00 43.02 H new ATOM 2274 N TRP A 147 3.503 -13.230 4.284 1.00 31.52 N ATOM 2275 CA TRP A 147 2.656 -12.146 4.798 1.00 71.40 C ATOM 2276 C TRP A 147 2.939 -11.837 6.278 1.00 14.05 C ATOM 2277 O TRP A 147 3.211 -10.686 6.638 1.00 73.51 O ATOM 2278 CB TRP A 147 1.157 -12.447 4.604 1.00 1.14 C ATOM 2279 CG TRP A 147 0.311 -11.343 5.140 1.00 72.51 C ATOM 2280 CD1 TRP A 147 -0.314 -11.303 6.342 1.00 72.33 C ATOM 2281 CD2 TRP A 147 0.042 -10.102 4.511 1.00 13.15 C ATOM 2282 NE1 TRP A 147 -0.943 -10.105 6.502 1.00 30.21 N ATOM 2283 CE2 TRP A 147 -0.750 -9.352 5.386 1.00 1.22 C ATOM 2284 CE3 TRP A 147 0.391 -9.551 3.293 1.00 73.15 C ATOM 2285 CZ2 TRP A 147 -1.188 -8.074 5.075 1.00 73.31 C ATOM 2286 CZ3 TRP A 147 -0.039 -8.302 2.984 1.00 50.13 C ATOM 2287 CH2 TRP A 147 -0.818 -7.571 3.862 1.00 12.34 C ATOM 0 H TRP A 147 2.989 -13.988 3.835 1.00 31.52 H new ATOM 0 HA TRP A 147 2.911 -11.263 4.212 1.00 71.40 H new ATOM 0 HB2 TRP A 147 0.946 -12.588 3.544 1.00 1.14 H new ATOM 0 HB3 TRP A 147 0.903 -13.380 5.107 1.00 1.14 H new ATOM 0 HD1 TRP A 147 -0.314 -12.104 7.067 1.00 72.33 H new ATOM 0 HE1 TRP A 147 -1.473 -9.819 7.325 1.00 30.21 H new ATOM 0 HE3 TRP A 147 0.999 -10.108 2.595 1.00 73.15 H new ATOM 0 HZ2 TRP A 147 -1.795 -7.502 5.762 1.00 73.31 H new ATOM 0 HZ3 TRP A 147 0.233 -7.870 2.032 1.00 50.13 H new ATOM 0 HH2 TRP A 147 -1.141 -6.579 3.581 1.00 12.34 H new ATOM 2298 N GLY A 148 2.887 -12.866 7.119 1.00 60.55 N ATOM 2299 CA GLY A 148 3.152 -12.688 8.541 1.00 61.54 C ATOM 2300 C GLY A 148 4.555 -12.206 8.793 1.00 64.41 C ATOM 2301 O GLY A 148 4.810 -11.483 9.759 1.00 42.32 O ATOM 0 H GLY A 148 2.666 -13.823 6.843 1.00 60.55 H new ATOM 0 HA2 GLY A 148 2.442 -11.973 8.956 1.00 61.54 H new ATOM 0 HA3 GLY A 148 2.993 -13.633 9.061 1.00 61.54 H new ATOM 2305 N ALA A 149 5.462 -12.619 7.923 1.00 61.13 N ATOM 2306 CA ALA A 149 6.843 -12.210 7.985 1.00 73.14 C ATOM 2307 C ALA A 149 6.950 -10.734 7.649 1.00 42.10 C ATOM 2308 O ALA A 149 7.593 -9.986 8.364 1.00 32.30 O ATOM 2309 CB ALA A 149 7.685 -13.040 7.034 1.00 45.22 C ATOM 0 H ALA A 149 5.252 -13.252 7.151 1.00 61.13 H new ATOM 0 HA ALA A 149 7.220 -12.371 8.995 1.00 73.14 H new ATOM 0 HB1 ALA A 149 8.725 -12.718 7.093 1.00 45.22 H new ATOM 0 HB2 ALA A 149 7.614 -14.092 7.309 1.00 45.22 H new ATOM 0 HB3 ALA A 149 7.321 -12.907 6.015 1.00 45.22 H new ATOM 2315 N PHE A 150 6.290 -10.317 6.562 1.00 1.02 N ATOM 2316 CA PHE A 150 6.267 -8.915 6.166 1.00 1.03 C ATOM 2317 C PHE A 150 5.700 -8.072 7.275 1.00 42.01 C ATOM 2318 O PHE A 150 6.306 -7.098 7.677 1.00 21.24 O ATOM 2319 CB PHE A 150 5.471 -8.710 4.877 1.00 63.12 C ATOM 2320 CG PHE A 150 5.333 -7.260 4.465 1.00 13.23 C ATOM 2321 CD1 PHE A 150 6.449 -6.500 4.174 1.00 21.43 C ATOM 2322 CD2 PHE A 150 4.080 -6.668 4.347 1.00 41.34 C ATOM 2323 CE1 PHE A 150 6.322 -5.186 3.778 1.00 11.35 C ATOM 2324 CE2 PHE A 150 3.957 -5.346 3.951 1.00 50.00 C ATOM 2325 CZ PHE A 150 5.079 -4.610 3.666 1.00 34.43 C ATOM 0 H PHE A 150 5.766 -10.936 5.944 1.00 1.02 H new ATOM 0 HA PHE A 150 7.294 -8.603 5.973 1.00 1.03 H new ATOM 0 HB2 PHE A 150 5.955 -9.262 4.071 1.00 63.12 H new ATOM 0 HB3 PHE A 150 4.476 -9.138 5.004 1.00 63.12 H new ATOM 0 HD1 PHE A 150 7.432 -6.940 4.258 1.00 21.43 H new ATOM 0 HD2 PHE A 150 3.194 -7.245 4.566 1.00 41.34 H new ATOM 0 HE1 PHE A 150 7.205 -4.605 3.554 1.00 11.35 H new ATOM 0 HE2 PHE A 150 2.979 -4.896 3.867 1.00 50.00 H new ATOM 0 HZ PHE A 150 4.986 -3.580 3.354 1.00 34.43 H new ATOM 2335 N ILE A 151 4.547 -8.466 7.767 1.00 31.33 N ATOM 2336 CA ILE A 151 3.904 -7.812 8.883 1.00 44.44 C ATOM 2337 C ILE A 151 4.825 -7.718 10.106 1.00 53.54 C ATOM 2338 O ILE A 151 4.856 -6.694 10.796 1.00 53.42 O ATOM 2339 CB ILE A 151 2.531 -8.490 9.178 1.00 11.23 C ATOM 2340 CG1 ILE A 151 1.389 -7.703 8.529 1.00 52.04 C ATOM 2341 CG2 ILE A 151 2.279 -8.762 10.646 1.00 5.41 C ATOM 2342 CD1 ILE A 151 1.557 -7.479 7.048 1.00 72.14 C ATOM 0 H ILE A 151 4.023 -9.260 7.398 1.00 31.33 H new ATOM 0 HA ILE A 151 3.697 -6.776 8.615 1.00 44.44 H new ATOM 0 HB ILE A 151 2.572 -9.478 8.720 1.00 11.23 H new ATOM 0 HG12 ILE A 151 0.453 -8.234 8.701 1.00 52.04 H new ATOM 0 HG13 ILE A 151 1.302 -6.736 9.024 1.00 52.04 H new ATOM 0 HG21 ILE A 151 1.304 -9.234 10.766 1.00 5.41 H new ATOM 0 HG22 ILE A 151 3.053 -9.425 11.031 1.00 5.41 H new ATOM 0 HG23 ILE A 151 2.298 -7.823 11.199 1.00 5.41 H new ATOM 0 HD11 ILE A 151 0.706 -6.915 6.667 1.00 72.14 H new ATOM 0 HD12 ILE A 151 2.474 -6.919 6.866 1.00 72.14 H new ATOM 0 HD13 ILE A 151 1.612 -8.441 6.538 1.00 72.14 H new ATOM 2354 N GLN A 152 5.596 -8.756 10.340 1.00 73.30 N ATOM 2355 CA GLN A 152 6.553 -8.742 11.417 1.00 72.21 C ATOM 2356 C GLN A 152 7.623 -7.671 11.133 1.00 52.42 C ATOM 2357 O GLN A 152 7.892 -6.813 11.982 1.00 3.42 O ATOM 2358 CB GLN A 152 7.173 -10.133 11.595 1.00 22.20 C ATOM 2359 CG GLN A 152 8.092 -10.268 12.791 1.00 53.42 C ATOM 2360 CD GLN A 152 8.608 -11.679 12.963 1.00 65.02 C ATOM 2361 OE1 GLN A 152 9.650 -12.048 12.431 1.00 14.12 O ATOM 2362 NE2 GLN A 152 7.889 -12.479 13.707 1.00 62.45 N ATOM 0 H GLN A 152 5.577 -9.620 9.797 1.00 73.30 H new ATOM 0 HA GLN A 152 6.054 -8.488 12.352 1.00 72.21 H new ATOM 0 HB2 GLN A 152 6.370 -10.865 11.686 1.00 22.20 H new ATOM 0 HB3 GLN A 152 7.732 -10.385 10.694 1.00 22.20 H new ATOM 0 HG2 GLN A 152 8.935 -9.587 12.677 1.00 53.42 H new ATOM 0 HG3 GLN A 152 7.558 -9.967 13.692 1.00 53.42 H new ATOM 0 HE21 GLN A 152 7.027 -12.140 14.135 1.00 62.45 H new ATOM 0 HE22 GLN A 152 8.190 -13.442 13.859 1.00 62.45 H new ATOM 2371 N LYS A 153 8.189 -7.698 9.916 1.00 53.32 N ATOM 2372 CA LYS A 153 9.202 -6.737 9.480 1.00 72.22 C ATOM 2373 C LYS A 153 8.683 -5.314 9.541 1.00 44.55 C ATOM 2374 O LYS A 153 9.398 -4.435 9.965 1.00 31.11 O ATOM 2375 CB LYS A 153 9.610 -7.066 8.068 1.00 3.55 C ATOM 2376 CG LYS A 153 10.170 -8.457 7.905 1.00 33.01 C ATOM 2377 CD LYS A 153 10.324 -8.816 6.451 1.00 62.05 C ATOM 2378 CE LYS A 153 11.295 -7.893 5.735 1.00 54.22 C ATOM 2379 NZ LYS A 153 11.592 -8.339 4.358 1.00 31.34 N ATOM 0 H LYS A 153 7.952 -8.392 9.207 1.00 53.32 H new ATOM 0 HA LYS A 153 10.058 -6.808 10.151 1.00 72.22 H new ATOM 0 HB2 LYS A 153 8.745 -6.954 7.414 1.00 3.55 H new ATOM 0 HB3 LYS A 153 10.356 -6.343 7.737 1.00 3.55 H new ATOM 0 HG2 LYS A 153 11.137 -8.523 8.403 1.00 33.01 H new ATOM 0 HG3 LYS A 153 9.511 -9.176 8.392 1.00 33.01 H new ATOM 0 HD2 LYS A 153 10.674 -9.845 6.367 1.00 62.05 H new ATOM 0 HD3 LYS A 153 9.351 -8.769 5.961 1.00 62.05 H new ATOM 0 HE2 LYS A 153 10.879 -6.886 5.705 1.00 54.22 H new ATOM 0 HE3 LYS A 153 12.224 -7.837 6.303 1.00 54.22 H new ATOM 0 HZ1 LYS A 153 12.177 -7.624 3.880 1.00 31.34 H new ATOM 0 HZ2 LYS A 153 12.106 -9.242 4.389 1.00 31.34 H new ATOM 0 HZ3 LYS A 153 10.702 -8.465 3.834 1.00 31.34 H new ATOM 2393 N VAL A 154 7.430 -5.100 9.133 1.00 22.41 N ATOM 2394 CA VAL A 154 6.814 -3.778 9.145 1.00 43.24 C ATOM 2395 C VAL A 154 6.805 -3.162 10.537 1.00 55.43 C ATOM 2396 O VAL A 154 7.204 -2.019 10.711 1.00 51.11 O ATOM 2397 CB VAL A 154 5.352 -3.821 8.626 1.00 12.24 C ATOM 2398 CG1 VAL A 154 4.708 -2.475 8.766 1.00 0.44 C ATOM 2399 CG2 VAL A 154 5.288 -4.263 7.186 1.00 13.54 C ATOM 0 H VAL A 154 6.818 -5.839 8.786 1.00 22.41 H new ATOM 0 HA VAL A 154 7.423 -3.164 8.482 1.00 43.24 H new ATOM 0 HB VAL A 154 4.812 -4.548 9.232 1.00 12.24 H new ATOM 0 HG11 VAL A 154 3.683 -2.522 8.398 1.00 0.44 H new ATOM 0 HG12 VAL A 154 4.703 -2.181 9.816 1.00 0.44 H new ATOM 0 HG13 VAL A 154 5.269 -1.741 8.187 1.00 0.44 H new ATOM 0 HG21 VAL A 154 4.249 -4.281 6.857 1.00 13.54 H new ATOM 0 HG22 VAL A 154 5.853 -3.567 6.566 1.00 13.54 H new ATOM 0 HG23 VAL A 154 5.716 -5.261 7.092 1.00 13.54 H new ATOM 2409 N LYS A 155 6.375 -3.931 11.521 1.00 32.35 N ATOM 2410 CA LYS A 155 6.213 -3.425 12.864 1.00 75.21 C ATOM 2411 C LYS A 155 7.531 -2.898 13.488 1.00 50.24 C ATOM 2412 O LYS A 155 7.507 -2.028 14.364 1.00 51.25 O ATOM 2413 CB LYS A 155 5.502 -4.461 13.728 1.00 42.50 C ATOM 2414 CG LYS A 155 5.190 -4.006 15.134 1.00 61.52 C ATOM 2415 CD LYS A 155 4.274 -4.989 15.841 1.00 65.02 C ATOM 2416 CE LYS A 155 4.894 -6.367 16.014 1.00 14.33 C ATOM 2417 NZ LYS A 155 6.141 -6.340 16.814 1.00 42.41 N ATOM 0 H LYS A 155 6.131 -4.915 11.409 1.00 32.35 H new ATOM 0 HA LYS A 155 5.577 -2.541 12.814 1.00 75.21 H new ATOM 0 HB2 LYS A 155 4.571 -4.745 13.238 1.00 42.50 H new ATOM 0 HB3 LYS A 155 6.121 -5.357 13.780 1.00 42.50 H new ATOM 0 HG2 LYS A 155 6.117 -3.899 15.698 1.00 61.52 H new ATOM 0 HG3 LYS A 155 4.719 -3.023 15.105 1.00 61.52 H new ATOM 0 HD2 LYS A 155 4.011 -4.590 16.821 1.00 65.02 H new ATOM 0 HD3 LYS A 155 3.347 -5.083 15.276 1.00 65.02 H new ATOM 0 HE2 LYS A 155 4.173 -7.027 16.496 1.00 14.33 H new ATOM 0 HE3 LYS A 155 5.107 -6.790 15.032 1.00 14.33 H new ATOM 0 HZ1 LYS A 155 6.455 -7.314 17.000 1.00 42.41 H new ATOM 0 HZ2 LYS A 155 6.880 -5.832 16.287 1.00 42.41 H new ATOM 0 HZ3 LYS A 155 5.964 -5.855 17.717 1.00 42.41 H new ATOM 2431 N ASN A 156 8.667 -3.402 13.038 1.00 23.22 N ATOM 2432 CA ASN A 156 9.941 -2.863 13.526 1.00 24.52 C ATOM 2433 C ASN A 156 10.661 -2.045 12.472 1.00 3.23 C ATOM 2434 O ASN A 156 11.381 -1.105 12.797 1.00 13.31 O ATOM 2435 CB ASN A 156 10.865 -3.911 14.133 1.00 12.34 C ATOM 2436 CG ASN A 156 10.323 -4.513 15.423 1.00 72.25 C ATOM 2437 OD1 ASN A 156 9.583 -3.865 16.166 1.00 43.12 O ATOM 2438 ND2 ASN A 156 10.702 -5.734 15.712 1.00 31.33 N ATOM 0 H ASN A 156 8.743 -4.159 12.358 1.00 23.22 H new ATOM 0 HA ASN A 156 9.665 -2.195 14.342 1.00 24.52 H new ATOM 0 HB2 ASN A 156 11.026 -4.708 13.407 1.00 12.34 H new ATOM 0 HB3 ASN A 156 11.837 -3.459 14.331 1.00 12.34 H new ATOM 0 HD21 ASN A 156 10.384 -6.176 16.574 1.00 31.33 H new ATOM 0 HD22 ASN A 156 11.315 -6.242 15.075 1.00 31.33 H new ATOM 2445 N GLY A 157 10.480 -2.404 11.218 1.00 72.14 N ATOM 2446 CA GLY A 157 11.042 -1.637 10.133 1.00 15.41 C ATOM 2447 C GLY A 157 12.312 -2.191 9.524 1.00 45.21 C ATOM 2448 O GLY A 157 12.766 -1.672 8.516 1.00 74.45 O ATOM 0 H GLY A 157 9.947 -3.224 10.928 1.00 72.14 H new ATOM 0 HA2 GLY A 157 10.292 -1.551 9.347 1.00 15.41 H new ATOM 0 HA3 GLY A 157 11.244 -0.628 10.493 1.00 15.41 H new