USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 96:sc= 0.129 USER MOD Set 1.2: A 120 GLN : amide:sc= -6.83! C(o=-6.7!,f=-9.8!) USER MOD Set 2.1: A 69 TYR OH : rot 77:sc= 0.638 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.667 K(o=-0.028,f=1.3) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= -3.34! USER MOD Set 3.2: A 58 MET CE :methyl 178:sc= -2.37! (180deg=-2.36!) USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot 78:sc= -0.998! USER MOD Set 4.3: A 26 CYS SG : rot 113:sc= 1.59 USER MOD Set 5.1: A 14 ASN : amide:sc= -0.0525 X(o=-0.15,f=-0.51) USER MOD Set 5.2: A 16 GLN : amide:sc= -0.0936 X(o=-0.15,f=-0.47) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -94:sc= 0.232 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.491! USER MOD Single : A 31 SER OG : rot -44:sc= -0.764! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -20:sc= 0.393 USER MOD Single : A 36 CYS SG : rot 47:sc= -2.42 USER MOD Single : A 37 ASN : amide:sc= -5.31! K(o=-5.3!,f=-2.4) USER MOD Single : A 38 SER OG : rot -158:sc= -0.885 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.34) USER MOD Single : A 55 SER OG : rot 57:sc= 0.196 USER MOD Single : A 57 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.11) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.3!) USER MOD Single : A 66 TYR OH : rot 19:sc= 0.0382 USER MOD Single : A 73 MET CE :methyl 132:sc= -0.4 (180deg=-1.51!) USER MOD Single : A 76 ASN : amide:sc= -3.79! C(o=-3.8!,f=-3!) USER MOD Single : A 81 SER OG : rot -169:sc= 0.109 USER MOD Single : A 82 CYS SG : rot -171:sc= -0.872 USER MOD Single : A 86 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.015) USER MOD Single : A 88 SER OG : rot -5:sc= 0.951 USER MOD Single : A 89 SER OG : rot 180:sc= 0.167 USER MOD Single : A 92 GLN : amide:sc= -0.633 K(o=-0.63,f=-0.033) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -2.53! (180deg=-5.49!) USER MOD Single : A 96 GLN : amide:sc= -5.66! C(o=-5.7!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.22 K(o=-1.2,f=-7!) USER MOD Single : A 106 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.6!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 111 THR OG1 : rot 98:sc= -0.0536 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-4.8!) USER MOD Single : A 127 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5.1!) USER MOD Single : A 128 SER OG : rot -72:sc= 0.404! USER MOD Single : A 129 CYS SG : rot 68:sc= 0.606 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -150:sc= 0.547 USER MOD Single : A 143 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0524 USER MOD Single : A 148 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.5!) USER MOD Single : A 149 TYR OH : rot 1:sc= 0.0524 USER MOD Single : A 153 LYS NZ :NH3+ 155:sc= -0.584 (180deg=-1.22) USER MOD Single : A 154 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.236) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.4 USER MOD Single : A 158 LYS NZ :NH3+ 162:sc= -0.066 (180deg=-0.738) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.891 X(o=-0.89,f=-1.2) USER MOD Single : A 171 SER OG : rot 71:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.732 -11.731 0.979 1.00 0.52 N ATOM 51 CA GLY A 4 -16.074 -11.218 2.342 1.00 0.30 C ATOM 52 C GLY A 4 -14.757 -11.076 3.109 1.00 0.41 C ATOM 53 O GLY A 4 -14.312 -11.980 3.786 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.587 -10.259 2.276 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.747 -11.905 2.855 1.00 0.30 H new ATOM 57 N GLY A 5 -14.123 -9.939 2.973 1.00 0.01 N ATOM 58 CA GLY A 5 -12.821 -9.723 3.661 1.00 0.01 C ATOM 59 C GLY A 5 -13.038 -9.386 5.136 1.00 0.01 C ATOM 60 O GLY A 5 -14.031 -8.795 5.513 1.00 0.01 O ATOM 0 H GLY A 5 -14.454 -9.152 2.414 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.205 -10.618 3.574 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.277 -8.914 3.174 1.00 0.01 H new ATOM 64 N LYS A 6 -12.106 -9.756 5.972 1.00 0.00 N ATOM 65 CA LYS A 6 -12.230 -9.463 7.429 1.00 0.01 C ATOM 66 C LYS A 6 -10.836 -9.328 8.039 1.00 0.01 C ATOM 67 O LYS A 6 -9.946 -10.112 7.768 1.00 0.00 O ATOM 68 CB LYS A 6 -12.984 -10.592 8.132 1.00 0.02 C ATOM 69 CG LYS A 6 -13.310 -10.170 9.569 1.00 0.02 C ATOM 70 CD LYS A 6 -14.045 -11.304 10.300 1.00 0.02 C ATOM 71 CE LYS A 6 -15.536 -11.291 9.942 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.258 -12.279 10.792 1.00 0.02 N ATOM 0 H LYS A 6 -11.256 -10.253 5.705 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.782 -8.532 7.559 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.902 -10.822 7.592 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.381 -11.500 8.136 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.391 -9.920 10.100 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.928 -9.272 9.561 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.607 -12.265 10.028 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.922 -11.191 11.377 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.949 -10.294 10.094 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.670 -11.535 8.888 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.269 -12.271 10.550 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.870 -13.229 10.626 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.140 -12.027 11.794 1.00 0.02 H new ATOM 86 N ILE A 7 -10.654 -8.342 8.882 1.00 0.02 N ATOM 87 CA ILE A 7 -9.333 -8.133 9.549 1.00 0.00 C ATOM 88 C ILE A 7 -9.556 -7.994 11.057 1.00 0.02 C ATOM 89 O ILE A 7 -10.496 -7.360 11.502 1.00 0.01 O ATOM 90 CB ILE A 7 -8.657 -6.888 8.970 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.409 -6.544 9.791 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.626 -5.709 8.999 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.523 -5.578 8.998 1.00 0.02 C ATOM 0 H ILE A 7 -11.373 -7.666 9.139 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.678 -8.985 9.370 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.367 -7.091 7.939 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.699 -6.092 10.740 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.854 -7.452 10.026 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.138 -4.827 8.585 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.508 -5.948 8.405 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.925 -5.509 10.028 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.636 -5.334 9.583 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.222 -6.046 8.061 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.079 -4.665 8.785 1.00 0.02 H new ATOM 105 N SER A 8 -8.686 -8.576 11.846 1.00 0.02 N ATOM 106 CA SER A 8 -8.813 -8.483 13.336 1.00 0.02 C ATOM 107 C SER A 8 -7.549 -7.848 13.910 1.00 0.01 C ATOM 108 O SER A 8 -6.448 -8.264 13.620 1.00 0.02 O ATOM 109 CB SER A 8 -9.001 -9.881 13.937 1.00 0.30 C ATOM 110 OG SER A 8 -10.339 -10.306 13.723 1.00 0.39 O ATOM 0 H SER A 8 -7.885 -9.117 11.519 1.00 0.02 H new ATOM 0 HA SER A 8 -9.680 -7.871 13.585 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.306 -10.584 13.478 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.779 -9.864 15.004 1.00 0.30 H new ATOM 0 HG SER A 8 -10.463 -11.200 14.104 1.00 0.39 H new ATOM 116 N PHE A 9 -7.712 -6.849 14.740 1.00 0.02 N ATOM 117 CA PHE A 9 -6.539 -6.169 15.374 1.00 0.01 C ATOM 118 C PHE A 9 -6.506 -6.539 16.859 1.00 0.01 C ATOM 119 O PHE A 9 -7.533 -6.596 17.503 1.00 0.02 O ATOM 120 CB PHE A 9 -6.706 -4.651 15.251 1.00 0.02 C ATOM 121 CG PHE A 9 -6.965 -4.264 13.814 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.267 -4.320 13.301 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.910 -3.832 13.002 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.513 -3.945 11.975 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.156 -3.459 11.674 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.458 -3.514 11.162 1.00 0.02 C ATOM 0 H PHE A 9 -8.620 -6.470 15.009 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.618 -6.481 14.881 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.533 -4.318 15.879 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.809 -4.150 15.613 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.081 -4.652 13.928 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.907 -3.786 13.399 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.517 -3.988 11.579 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.342 -3.129 11.046 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.648 -3.224 10.139 1.00 0.02 H new ATOM 136 N TYR A 10 -5.343 -6.802 17.407 1.00 0.02 N ATOM 137 CA TYR A 10 -5.244 -7.180 18.854 1.00 0.01 C ATOM 138 C TYR A 10 -4.314 -6.199 19.574 1.00 0.02 C ATOM 139 O TYR A 10 -3.296 -5.778 19.045 1.00 0.01 O ATOM 140 CB TYR A 10 -4.664 -8.593 18.978 1.00 0.02 C ATOM 141 CG TYR A 10 -5.412 -9.552 18.076 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.248 -9.483 16.686 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.261 -10.520 18.632 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.929 -10.380 15.856 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.942 -11.415 17.799 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.776 -11.346 16.411 1.00 0.00 C ATOM 147 OH TYR A 10 -7.448 -12.230 15.591 1.00 0.02 O ATOM 0 H TYR A 10 -4.452 -6.771 16.911 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.237 -7.148 19.302 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.607 -8.584 18.712 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.730 -8.930 20.012 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.596 -8.737 16.256 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.389 -10.575 19.703 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.801 -10.327 14.785 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.596 -12.160 18.228 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.342 -11.879 15.394 1.00 0.02 H new ATOM 157 N GLU A 11 -4.681 -5.799 20.768 1.00 0.00 N ATOM 158 CA GLU A 11 -3.852 -4.810 21.517 1.00 0.02 C ATOM 159 C GLU A 11 -2.525 -5.417 21.977 1.00 0.03 C ATOM 160 O GLU A 11 -1.556 -4.703 22.139 1.00 0.03 O ATOM 161 CB GLU A 11 -4.629 -4.332 22.754 1.00 0.00 C ATOM 162 CG GLU A 11 -5.717 -3.344 22.335 1.00 0.00 C ATOM 163 CD GLU A 11 -6.413 -2.793 23.579 1.00 0.02 C ATOM 164 OE1 GLU A 11 -5.966 -3.104 24.671 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.380 -2.067 23.420 1.00 0.02 O ATOM 0 H GLU A 11 -5.520 -6.116 21.254 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.637 -3.978 20.846 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.077 -5.184 23.265 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.948 -3.858 23.461 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.280 -2.528 21.759 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.442 -3.838 21.689 1.00 0.00 H new ATOM 172 N ASP A 12 -2.455 -6.711 22.200 1.00 0.02 N ATOM 173 CA ASP A 12 -1.166 -7.325 22.664 1.00 0.01 C ATOM 174 C ASP A 12 -0.610 -8.279 21.604 1.00 0.02 C ATOM 175 O ASP A 12 -1.257 -8.604 20.629 1.00 0.02 O ATOM 176 CB ASP A 12 -1.409 -8.113 23.952 1.00 0.01 C ATOM 177 CG ASP A 12 -2.233 -7.262 24.919 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.393 -6.083 24.650 1.00 0.03 O ATOM 179 OD2 ASP A 12 -2.690 -7.802 25.913 1.00 0.02 O ATOM 0 H ASP A 12 -3.229 -7.365 22.082 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.448 -6.524 22.839 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -1.934 -9.042 23.730 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.458 -8.386 24.410 1.00 0.01 H new ATOM 184 N ARG A 13 0.603 -8.713 21.804 1.00 0.02 N ATOM 185 CA ARG A 13 1.265 -9.642 20.842 1.00 0.02 C ATOM 186 C ARG A 13 0.665 -11.044 20.963 1.00 0.00 C ATOM 187 O ARG A 13 0.112 -11.416 21.978 1.00 0.02 O ATOM 188 CB ARG A 13 2.755 -9.706 21.188 1.00 0.00 C ATOM 189 CG ARG A 13 3.429 -8.377 20.836 1.00 0.01 C ATOM 190 CD ARG A 13 4.775 -8.276 21.558 1.00 0.02 C ATOM 191 NE ARG A 13 5.452 -7.006 21.172 1.00 0.03 N ATOM 192 CZ ARG A 13 6.461 -6.563 21.873 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.873 -7.230 22.917 1.00 0.02 N ATOM 194 NH2 ARG A 13 7.055 -5.452 21.531 1.00 0.02 N ATOM 0 H ARG A 13 1.175 -8.459 22.609 1.00 0.02 H new ATOM 0 HA ARG A 13 1.118 -9.282 19.824 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.882 -9.918 22.250 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.230 -10.521 20.641 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.577 -8.307 19.758 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.787 -7.545 21.124 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.624 -8.307 22.637 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.403 -9.128 21.300 1.00 0.02 H new ATOM 0 HE ARG A 13 5.127 -6.482 20.359 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.407 -8.097 23.185 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.661 -6.884 23.465 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.731 -4.930 20.717 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.843 -5.106 22.078 1.00 0.02 H new ATOM 208 N ASN A 14 0.796 -11.826 19.920 1.00 0.02 N ATOM 209 CA ASN A 14 0.270 -13.223 19.925 1.00 0.02 C ATOM 210 C ASN A 14 -1.256 -13.236 20.026 1.00 0.02 C ATOM 211 O ASN A 14 -1.848 -14.090 20.656 1.00 0.02 O ATOM 212 CB ASN A 14 0.901 -13.993 21.092 1.00 0.26 C ATOM 213 CG ASN A 14 0.763 -15.499 20.850 1.00 0.12 C ATOM 214 OD1 ASN A 14 -0.011 -16.161 21.513 1.00 0.74 O ATOM 215 ND2 ASN A 14 1.486 -16.069 19.926 1.00 0.46 N ATOM 0 H ASN A 14 1.253 -11.549 19.051 1.00 0.02 H new ATOM 0 HA ASN A 14 0.537 -13.708 18.986 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.953 -13.725 21.191 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.413 -13.719 22.027 1.00 0.26 H new ATOM 0 HD21 ASN A 14 1.402 -17.072 19.759 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.135 -15.512 19.370 1.00 0.46 H new ATOM 222 N PHE A 15 -1.874 -12.266 19.396 1.00 0.02 N ATOM 223 CA PHE A 15 -3.365 -12.137 19.383 1.00 0.02 C ATOM 224 C PHE A 15 -3.937 -12.229 20.794 1.00 0.00 C ATOM 225 O PHE A 15 -4.930 -12.883 21.038 1.00 0.02 O ATOM 226 CB PHE A 15 -4.011 -13.198 18.470 1.00 0.02 C ATOM 227 CG PHE A 15 -3.415 -14.563 18.713 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.294 -14.977 17.984 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.983 -15.415 19.668 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.741 -16.243 18.209 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.429 -16.681 19.895 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.308 -17.095 19.165 1.00 0.02 C ATOM 0 H PHE A 15 -1.390 -11.536 18.874 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.603 -11.153 18.980 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.086 -13.230 18.649 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.870 -12.918 17.426 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.856 -14.319 17.248 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.848 -15.096 20.230 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.877 -16.563 17.645 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.866 -17.338 20.633 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.881 -18.071 19.339 1.00 0.02 H new ATOM 242 N GLN A 16 -3.320 -11.538 21.715 1.00 0.02 N ATOM 243 CA GLN A 16 -3.807 -11.521 23.127 1.00 0.02 C ATOM 244 C GLN A 16 -4.314 -10.106 23.431 1.00 0.02 C ATOM 245 O GLN A 16 -4.054 -9.176 22.692 1.00 0.02 O ATOM 246 CB GLN A 16 -2.649 -11.863 24.067 1.00 0.02 C ATOM 247 CG GLN A 16 -2.399 -13.373 24.041 1.00 0.00 C ATOM 248 CD GLN A 16 -1.103 -13.688 24.792 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.798 -13.063 25.788 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.321 -14.636 24.354 1.00 0.02 N ATOM 0 H GLN A 16 -2.486 -10.976 21.547 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.605 -12.250 23.268 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.749 -11.329 23.762 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.882 -11.540 25.081 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.236 -13.899 24.501 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.330 -13.723 23.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.576 -15.162 23.518 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.545 -14.852 24.848 1.00 0.02 H new ATOM 259 N GLY A 17 -5.038 -9.925 24.504 1.00 0.03 N ATOM 260 CA GLY A 17 -5.546 -8.561 24.836 1.00 0.03 C ATOM 261 C GLY A 17 -6.901 -8.309 24.166 1.00 0.02 C ATOM 262 O GLY A 17 -7.535 -9.212 23.658 1.00 0.02 O ATOM 0 H GLY A 17 -5.299 -10.659 25.162 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.644 -8.457 25.917 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.827 -7.810 24.508 1.00 0.03 H new ATOM 266 N ARG A 18 -7.337 -7.079 24.156 1.00 0.00 N ATOM 267 CA ARG A 18 -8.641 -6.737 23.517 1.00 0.02 C ATOM 268 C ARG A 18 -8.514 -6.898 22.003 1.00 0.02 C ATOM 269 O ARG A 18 -7.488 -6.606 21.419 1.00 0.02 O ATOM 270 CB ARG A 18 -8.998 -5.288 23.849 1.00 0.79 C ATOM 271 CG ARG A 18 -10.362 -4.948 23.246 1.00 1.49 C ATOM 272 CD ARG A 18 -10.866 -3.626 23.829 1.00 1.42 C ATOM 273 NE ARG A 18 -9.824 -2.575 23.661 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.141 -1.320 23.808 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.369 -0.988 24.101 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.233 -0.395 23.660 1.00 2.76 N ATOM 0 H ARG A 18 -6.841 -6.288 24.567 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.422 -7.399 23.890 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.021 -5.146 24.930 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.236 -4.615 23.455 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.283 -4.872 22.162 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.074 -5.746 23.458 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.786 -3.324 23.328 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.104 -3.750 24.885 1.00 1.42 H new ATOM 0 HE ARG A 18 -8.865 -2.837 23.432 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.079 -1.711 24.215 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.618 -0.006 24.216 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.274 -0.654 23.429 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.482 0.587 23.775 1.00 2.76 H new ATOM 290 N ARG A 19 -9.555 -7.382 21.364 1.00 0.02 N ATOM 291 CA ARG A 19 -9.520 -7.597 19.884 1.00 0.02 C ATOM 292 C ARG A 19 -10.628 -6.785 19.210 1.00 0.02 C ATOM 293 O ARG A 19 -11.685 -6.566 19.767 1.00 0.02 O ATOM 294 CB ARG A 19 -9.758 -9.083 19.599 1.00 0.85 C ATOM 295 CG ARG A 19 -9.505 -9.377 18.116 1.00 1.31 C ATOM 296 CD ARG A 19 -9.989 -10.792 17.774 1.00 1.34 C ATOM 297 NE ARG A 19 -11.456 -10.764 17.507 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.028 -11.768 16.901 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.317 -12.797 16.529 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.311 -11.739 16.664 1.00 1.89 N ATOM 0 H ARG A 19 -10.435 -7.639 21.811 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.552 -7.280 19.495 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.097 -9.691 20.217 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.780 -9.354 19.863 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.026 -8.646 17.497 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.442 -9.283 17.894 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.457 -11.169 16.901 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.771 -11.472 18.598 1.00 1.34 H new ATOM 0 HE ARG A 19 -12.012 -9.960 17.798 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.314 -12.817 16.712 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.765 -13.582 16.055 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.865 -10.932 16.952 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -13.760 -12.523 16.190 1.00 1.89 H new ATOM 314 N TYR A 20 -10.390 -6.365 17.997 1.00 0.02 N ATOM 315 CA TYR A 20 -11.414 -5.591 17.229 1.00 0.02 C ATOM 316 C TYR A 20 -11.509 -6.192 15.827 1.00 0.02 C ATOM 317 O TYR A 20 -10.518 -6.350 15.146 1.00 0.02 O ATOM 318 CB TYR A 20 -10.999 -4.120 17.137 1.00 0.02 C ATOM 319 CG TYR A 20 -11.973 -3.378 16.250 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.315 -3.262 16.633 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.538 -2.806 15.046 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.220 -2.575 15.815 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.443 -2.119 14.228 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.784 -2.004 14.612 1.00 0.02 C ATOM 325 OH TYR A 20 -14.677 -1.329 13.807 1.00 0.01 O ATOM 0 H TYR A 20 -9.516 -6.527 17.496 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.380 -5.645 17.731 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -10.982 -3.673 18.131 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.989 -4.040 16.734 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.652 -3.703 17.560 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.503 -2.895 14.749 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.255 -2.485 16.111 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.107 -1.678 13.301 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.212 -0.994 13.012 1.00 0.01 H new ATOM 335 N ASP A 21 -12.697 -6.533 15.396 1.00 0.01 N ATOM 336 CA ASP A 21 -12.882 -7.142 14.040 1.00 0.02 C ATOM 337 C ASP A 21 -13.593 -6.142 13.133 1.00 0.00 C ATOM 338 O ASP A 21 -14.537 -5.490 13.527 1.00 0.01 O ATOM 339 CB ASP A 21 -13.745 -8.397 14.178 1.00 0.12 C ATOM 340 CG ASP A 21 -15.105 -8.017 14.765 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.133 -7.187 15.659 1.00 1.12 O ATOM 342 OD2 ASP A 21 -16.096 -8.562 14.309 1.00 0.56 O ATOM 0 H ASP A 21 -13.557 -6.415 15.931 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.913 -7.400 13.612 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.876 -8.870 13.205 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.249 -9.124 14.822 1.00 0.12 H new ATOM 347 N CYS A 22 -13.118 -6.006 11.919 1.00 0.01 N ATOM 348 CA CYS A 22 -13.729 -5.033 10.962 1.00 0.00 C ATOM 349 C CYS A 22 -14.006 -5.742 9.627 1.00 0.02 C ATOM 350 O CYS A 22 -13.196 -6.506 9.135 1.00 0.01 O ATOM 351 CB CYS A 22 -12.734 -3.873 10.783 1.00 0.00 C ATOM 352 SG CYS A 22 -12.925 -3.102 9.159 1.00 0.02 S ATOM 0 H CYS A 22 -12.327 -6.532 11.548 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.677 -4.645 11.336 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.893 -3.129 11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -11.715 -4.242 10.897 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.966 -2.323 9.168 1.00 0.02 H new ATOM 358 N ASP A 23 -15.160 -5.494 9.045 1.00 0.01 N ATOM 359 CA ASP A 23 -15.531 -6.149 7.746 1.00 0.02 C ATOM 360 C ASP A 23 -15.746 -5.090 6.657 1.00 0.00 C ATOM 361 O ASP A 23 -16.202 -5.393 5.572 1.00 0.02 O ATOM 362 CB ASP A 23 -16.822 -6.945 7.932 1.00 0.16 C ATOM 363 CG ASP A 23 -17.858 -6.078 8.647 1.00 0.17 C ATOM 364 OD1 ASP A 23 -18.372 -5.166 8.020 1.00 0.20 O ATOM 365 OD2 ASP A 23 -18.121 -6.340 9.809 1.00 0.17 O ATOM 0 H ASP A 23 -15.866 -4.860 9.419 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.722 -6.813 7.442 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.207 -7.266 6.964 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.625 -7.847 8.511 1.00 0.16 H new ATOM 370 N CYS A 24 -15.415 -3.856 6.927 1.00 0.01 N ATOM 371 CA CYS A 24 -15.598 -2.791 5.896 1.00 0.01 C ATOM 372 C CYS A 24 -14.662 -1.630 6.228 1.00 0.01 C ATOM 373 O CYS A 24 -14.011 -1.634 7.247 1.00 0.01 O ATOM 374 CB CYS A 24 -17.050 -2.308 5.902 1.00 0.62 C ATOM 375 SG CYS A 24 -17.285 -1.083 4.591 1.00 1.23 S ATOM 0 H CYS A 24 -15.026 -3.539 7.815 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.366 -3.185 4.906 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.725 -3.151 5.752 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.295 -1.871 6.870 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.519 -0.675 4.595 1.00 1.23 H new ATOM 381 N ASP A 25 -14.560 -0.636 5.392 1.00 0.02 N ATOM 382 CA ASP A 25 -13.633 0.487 5.702 1.00 0.01 C ATOM 383 C ASP A 25 -14.028 1.173 7.011 1.00 0.02 C ATOM 384 O ASP A 25 -15.193 1.356 7.305 1.00 0.00 O ATOM 385 CB ASP A 25 -13.691 1.510 4.565 1.00 0.01 C ATOM 386 CG ASP A 25 -12.621 2.582 4.780 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.049 2.613 5.856 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.389 3.351 3.862 1.00 0.01 O ATOM 0 H ASP A 25 -15.073 -0.552 4.515 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.624 0.089 5.807 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.534 1.013 3.608 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.678 1.970 4.527 1.00 0.01 H new ATOM 393 N CYS A 26 -13.050 1.578 7.787 1.00 0.01 N ATOM 394 CA CYS A 26 -13.328 2.289 9.074 1.00 0.01 C ATOM 395 C CYS A 26 -12.436 3.533 9.142 1.00 0.01 C ATOM 396 O CYS A 26 -11.224 3.439 9.141 1.00 0.01 O ATOM 397 CB CYS A 26 -13.027 1.366 10.257 1.00 0.01 C ATOM 398 SG CYS A 26 -13.977 -0.164 10.082 1.00 0.02 S ATOM 0 H CYS A 26 -12.060 1.444 7.580 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.378 2.579 9.120 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -11.961 1.143 10.296 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.284 1.861 11.193 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.165 -1.158 9.876 1.00 0.02 H new ATOM 404 N ALA A 27 -13.030 4.699 9.162 1.00 0.01 N ATOM 405 CA ALA A 27 -12.219 5.951 9.180 1.00 0.01 C ATOM 406 C ALA A 27 -11.635 6.202 10.571 1.00 0.01 C ATOM 407 O ALA A 27 -10.649 6.897 10.720 1.00 0.02 O ATOM 408 CB ALA A 27 -13.102 7.133 8.773 1.00 0.24 C ATOM 0 H ALA A 27 -14.041 4.837 9.167 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.395 5.843 8.475 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.512 8.049 8.785 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.493 6.967 7.769 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.931 7.226 9.474 1.00 0.24 H new ATOM 414 N ASP A 28 -12.234 5.653 11.588 1.00 0.01 N ATOM 415 CA ASP A 28 -11.711 5.861 12.968 1.00 0.02 C ATOM 416 C ASP A 28 -12.167 4.695 13.843 1.00 0.01 C ATOM 417 O ASP A 28 -13.298 4.647 14.280 1.00 0.02 O ATOM 418 CB ASP A 28 -12.258 7.172 13.535 1.00 0.67 C ATOM 419 CG ASP A 28 -13.787 7.124 13.546 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.357 6.776 12.523 1.00 1.14 O ATOM 421 OD2 ASP A 28 -14.363 7.435 14.575 1.00 0.87 O ATOM 0 H ASP A 28 -13.066 5.067 11.524 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.622 5.911 12.949 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -11.881 7.329 14.546 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -11.914 8.013 12.933 1.00 0.67 H new ATOM 426 N PHE A 29 -11.290 3.756 14.103 1.00 0.02 N ATOM 427 CA PHE A 29 -11.655 2.577 14.959 1.00 0.02 C ATOM 428 C PHE A 29 -11.010 2.717 16.343 1.00 0.00 C ATOM 429 O PHE A 29 -10.989 1.804 17.149 1.00 0.02 O ATOM 430 CB PHE A 29 -11.228 1.273 14.270 1.00 2.87 C ATOM 431 CG PHE A 29 -9.743 1.049 14.410 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.854 1.735 13.577 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.258 0.146 15.362 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.480 1.517 13.696 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.882 -0.069 15.481 1.00 5.75 C ATOM 436 CZ PHE A 29 -6.994 0.617 14.648 1.00 6.37 C ATOM 0 H PHE A 29 -10.330 3.753 13.758 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.736 2.546 15.092 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.769 0.433 14.706 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.496 1.311 13.214 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.229 2.432 12.843 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.946 -0.384 16.004 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.792 2.044 13.052 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.505 -0.765 16.216 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.931 0.451 14.740 1.00 6.37 H new ATOM 446 N ARG A 30 -10.451 3.866 16.606 1.00 0.01 N ATOM 447 CA ARG A 30 -9.781 4.103 17.914 1.00 0.00 C ATOM 448 C ARG A 30 -10.774 3.941 19.072 1.00 0.01 C ATOM 449 O ARG A 30 -10.382 3.713 20.199 1.00 0.02 O ATOM 450 CB ARG A 30 -9.198 5.518 17.942 1.00 0.32 C ATOM 451 CG ARG A 30 -7.940 5.571 17.065 1.00 0.86 C ATOM 452 CD ARG A 30 -7.270 6.945 17.184 1.00 1.62 C ATOM 453 NE ARG A 30 -5.841 6.831 16.776 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.150 7.905 16.505 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.713 9.080 16.579 1.00 3.11 N ATOM 456 NH2 ARG A 30 -3.895 7.803 16.159 1.00 3.02 N ATOM 0 H ARG A 30 -10.430 4.658 15.964 1.00 0.01 H new ATOM 0 HA ARG A 30 -8.984 3.369 18.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.936 6.234 17.581 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.953 5.802 18.966 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.243 4.790 17.369 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.204 5.376 16.026 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.784 7.669 16.552 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.340 7.309 18.209 1.00 1.62 H new ATOM 0 HE ARG A 30 -5.402 5.913 16.708 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.693 9.160 16.849 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.173 9.919 16.367 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -3.455 6.885 16.101 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.355 8.642 15.947 1.00 3.02 H new ATOM 470 N SER A 31 -12.052 4.073 18.821 1.00 0.02 N ATOM 471 CA SER A 31 -13.045 3.940 19.931 1.00 0.02 C ATOM 472 C SER A 31 -13.206 2.469 20.313 1.00 0.01 C ATOM 473 O SER A 31 -13.728 2.144 21.360 1.00 0.02 O ATOM 474 CB SER A 31 -14.395 4.493 19.470 1.00 0.37 C ATOM 475 OG SER A 31 -15.066 3.509 18.695 1.00 0.88 O ATOM 0 H SER A 31 -12.449 4.266 17.902 1.00 0.02 H new ATOM 0 HA SER A 31 -12.692 4.499 20.797 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.002 4.769 20.333 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.248 5.398 18.881 1.00 0.37 H new ATOM 0 HG SER A 31 -14.433 3.095 18.072 1.00 0.88 H new ATOM 481 N TYR A 32 -12.771 1.578 19.463 1.00 0.01 N ATOM 482 CA TYR A 32 -12.905 0.118 19.757 1.00 0.01 C ATOM 483 C TYR A 32 -11.555 -0.425 20.210 1.00 0.02 C ATOM 484 O TYR A 32 -11.467 -1.456 20.847 1.00 0.02 O ATOM 485 CB TYR A 32 -13.339 -0.605 18.481 1.00 0.02 C ATOM 486 CG TYR A 32 -14.630 -0.002 17.979 1.00 0.02 C ATOM 487 CD1 TYR A 32 -14.610 1.204 17.270 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.847 -0.649 18.226 1.00 0.01 C ATOM 489 CE1 TYR A 32 -15.807 1.764 16.808 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.043 -0.090 17.764 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.024 1.116 17.055 1.00 0.02 C ATOM 492 OH TYR A 32 -18.203 1.669 16.600 1.00 0.02 O ATOM 0 H TYR A 32 -12.326 1.798 18.572 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.645 -0.040 20.542 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.564 -0.519 17.719 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.474 -1.668 18.680 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -13.671 1.703 17.079 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.862 -1.580 18.773 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -15.792 2.695 16.261 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -17.981 -0.589 17.955 1.00 0.00 H new ATOM 0 HH TYR A 32 -18.954 1.093 16.855 1.00 0.02 H new ATOM 502 N LEU A 33 -10.496 0.259 19.872 1.00 0.02 N ATOM 503 CA LEU A 33 -9.135 -0.211 20.270 1.00 0.02 C ATOM 504 C LEU A 33 -8.220 1.012 20.450 1.00 0.02 C ATOM 505 O LEU A 33 -8.134 1.876 19.602 1.00 0.02 O ATOM 506 CB LEU A 33 -8.586 -1.113 19.141 1.00 1.66 C ATOM 507 CG LEU A 33 -7.775 -2.283 19.733 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.694 -3.235 20.538 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.104 -3.055 18.590 1.00 2.80 C ATOM 0 H LEU A 33 -10.513 1.126 19.335 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.176 -0.770 21.205 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.411 -1.500 18.543 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -7.955 -0.527 18.473 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.018 -1.885 20.409 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.101 -4.053 20.947 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.163 -2.684 21.353 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.465 -3.638 19.881 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.528 -3.885 19.000 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.867 -3.442 17.915 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.439 -2.388 18.042 1.00 2.80 H new ATOM 521 N SER A 34 -7.554 1.085 21.572 1.00 0.02 N ATOM 522 CA SER A 34 -6.657 2.246 21.854 1.00 0.02 C ATOM 523 C SER A 34 -5.277 2.025 21.226 1.00 0.00 C ATOM 524 O SER A 34 -4.457 2.921 21.177 1.00 0.01 O ATOM 525 CB SER A 34 -6.505 2.401 23.368 1.00 0.02 C ATOM 526 OG SER A 34 -5.594 3.457 23.644 1.00 0.02 O ATOM 0 H SER A 34 -7.593 0.384 22.312 1.00 0.02 H new ATOM 0 HA SER A 34 -7.096 3.146 21.424 1.00 0.02 H new ATOM 0 HB2 SER A 34 -7.473 2.613 23.822 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.144 1.470 23.806 1.00 0.02 H new ATOM 0 HG SER A 34 -5.045 3.631 22.851 1.00 0.02 H new ATOM 532 N ARG A 35 -5.016 0.845 20.736 1.00 0.02 N ATOM 533 CA ARG A 35 -3.701 0.556 20.099 1.00 0.01 C ATOM 534 C ARG A 35 -3.800 -0.823 19.447 1.00 0.02 C ATOM 535 O ARG A 35 -4.697 -1.586 19.739 1.00 0.02 O ATOM 536 CB ARG A 35 -2.594 0.549 21.156 1.00 0.02 C ATOM 537 CG ARG A 35 -3.054 -0.248 22.378 1.00 0.02 C ATOM 538 CD ARG A 35 -1.906 -0.337 23.388 1.00 0.02 C ATOM 539 NE ARG A 35 -0.872 -1.277 22.876 1.00 0.02 N ATOM 540 CZ ARG A 35 0.321 -1.285 23.403 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.607 -0.469 24.379 1.00 0.00 N ATOM 542 NH2 ARG A 35 1.228 -2.109 22.954 1.00 0.02 N ATOM 0 H ARG A 35 -5.666 0.059 20.750 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.461 1.319 19.359 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.686 0.109 20.743 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.349 1.570 21.447 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -3.919 0.233 22.835 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.367 -1.248 22.077 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -1.470 0.649 23.548 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -2.281 -0.680 24.352 1.00 0.02 H new ATOM 0 HE ARG A 35 -1.096 -1.915 22.113 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.102 0.175 24.730 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.540 -0.475 24.792 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.004 -2.747 22.190 1.00 0.02 H new ATOM 0 HH22 ARG A 35 2.161 -2.115 23.367 1.00 0.02 H new ATOM 556 N CYS A 36 -2.899 -1.160 18.563 1.00 0.02 N ATOM 557 CA CYS A 36 -2.952 -2.498 17.898 1.00 0.02 C ATOM 558 C CYS A 36 -1.519 -3.019 17.736 1.00 0.02 C ATOM 559 O CYS A 36 -0.736 -2.432 17.016 1.00 0.02 O ATOM 560 CB CYS A 36 -3.611 -2.336 16.522 1.00 0.02 C ATOM 561 SG CYS A 36 -3.165 -3.723 15.453 1.00 0.02 S ATOM 0 H CYS A 36 -2.124 -0.564 18.271 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.530 -3.204 18.494 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.694 -2.286 16.633 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.293 -1.398 16.066 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.321 -4.839 16.102 1.00 0.02 H new ATOM 567 N ASN A 37 -1.148 -4.089 18.412 1.00 0.02 N ATOM 568 CA ASN A 37 0.261 -4.596 18.300 1.00 0.01 C ATOM 569 C ASN A 37 0.322 -5.910 17.515 1.00 0.02 C ATOM 570 O ASN A 37 1.386 -6.448 17.264 1.00 0.02 O ATOM 571 CB ASN A 37 0.835 -4.823 19.701 1.00 0.02 C ATOM 572 CG ASN A 37 2.351 -4.994 19.615 1.00 0.01 C ATOM 573 OD1 ASN A 37 3.097 -4.085 19.922 1.00 0.03 O ATOM 574 ND2 ASN A 37 2.842 -6.132 19.208 1.00 0.02 N ATOM 0 H ASN A 37 -1.755 -4.627 19.030 1.00 0.02 H new ATOM 0 HA ASN A 37 0.847 -3.848 17.766 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.591 -3.979 20.346 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.384 -5.708 20.150 1.00 0.02 H new ATOM 0 HD21 ASN A 37 3.852 -6.259 19.147 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.216 -6.895 18.950 1.00 0.02 H new ATOM 581 N SER A 38 -0.811 -6.413 17.093 1.00 0.02 N ATOM 582 CA SER A 38 -0.830 -7.671 16.285 1.00 0.02 C ATOM 583 C SER A 38 -2.092 -7.662 15.416 1.00 0.01 C ATOM 584 O SER A 38 -3.074 -7.025 15.741 1.00 0.02 O ATOM 585 CB SER A 38 -0.817 -8.902 17.200 1.00 0.01 C ATOM 586 OG SER A 38 0.521 -9.206 17.557 1.00 0.02 O ATOM 0 H SER A 38 -1.728 -6.004 17.274 1.00 0.02 H new ATOM 0 HA SER A 38 0.058 -7.720 15.655 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.410 -8.711 18.095 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.272 -9.752 16.692 1.00 0.01 H new ATOM 0 HG SER A 38 0.583 -10.147 17.824 1.00 0.02 H new ATOM 592 N ILE A 39 -2.067 -8.343 14.293 1.00 0.02 N ATOM 593 CA ILE A 39 -3.266 -8.341 13.392 1.00 0.02 C ATOM 594 C ILE A 39 -3.419 -9.693 12.694 1.00 0.02 C ATOM 595 O ILE A 39 -2.458 -10.345 12.338 1.00 0.02 O ATOM 596 CB ILE A 39 -3.081 -7.269 12.312 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.662 -5.956 12.970 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.399 -7.057 11.559 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.592 -4.851 11.917 1.00 0.00 C ATOM 0 H ILE A 39 -1.276 -8.896 13.963 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.151 -8.140 13.996 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.312 -7.594 11.611 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.375 -5.685 13.749 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.692 -6.073 13.453 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.262 -6.294 10.793 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.704 -7.992 11.089 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.170 -6.734 12.259 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.293 -3.916 12.390 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.862 -5.121 11.154 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.571 -4.727 11.455 1.00 0.00 H new ATOM 611 N ARG A 40 -4.648 -10.083 12.453 1.00 0.02 N ATOM 612 CA ARG A 40 -4.930 -11.352 11.719 1.00 0.02 C ATOM 613 C ARG A 40 -5.836 -11.004 10.534 1.00 0.01 C ATOM 614 O ARG A 40 -6.899 -10.443 10.714 1.00 0.02 O ATOM 615 CB ARG A 40 -5.631 -12.372 12.616 1.00 0.01 C ATOM 616 CG ARG A 40 -5.941 -13.634 11.808 1.00 0.02 C ATOM 617 CD ARG A 40 -6.317 -14.770 12.764 1.00 0.02 C ATOM 618 NE ARG A 40 -7.181 -14.235 13.855 1.00 0.02 N ATOM 619 CZ ARG A 40 -7.859 -15.054 14.613 1.00 0.02 C ATOM 620 NH1 ARG A 40 -7.778 -16.342 14.419 1.00 0.02 N ATOM 621 NH2 ARG A 40 -8.618 -14.582 15.563 1.00 0.02 N ATOM 0 H ARG A 40 -5.479 -9.565 12.740 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.993 -11.798 11.387 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -4.997 -12.619 13.468 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.552 -11.948 13.016 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.759 -13.443 11.113 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.075 -13.918 11.210 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.842 -15.557 12.222 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.417 -15.219 13.185 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.242 -13.229 14.009 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.185 -16.709 13.675 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.308 -16.981 15.011 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -8.681 -13.575 15.713 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -9.149 -15.220 16.156 1.00 0.02 H new ATOM 635 N VAL A 41 -5.458 -11.367 9.336 1.00 0.02 N ATOM 636 CA VAL A 41 -6.336 -11.102 8.155 1.00 0.01 C ATOM 637 C VAL A 41 -6.934 -12.443 7.735 1.00 0.02 C ATOM 638 O VAL A 41 -6.228 -13.343 7.330 1.00 0.02 O ATOM 639 CB VAL A 41 -5.521 -10.486 7.019 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.464 -10.097 5.879 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.819 -9.228 7.537 1.00 0.00 C ATOM 0 H VAL A 41 -4.578 -11.836 9.123 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.127 -10.394 8.403 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.783 -11.204 6.660 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.888 -9.657 5.065 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.983 -10.985 5.518 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.193 -9.372 6.241 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.234 -8.781 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.564 -8.513 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.158 -9.494 8.362 1.00 0.00 H new ATOM 651 N GLU A 42 -8.227 -12.591 7.862 1.00 0.01 N ATOM 652 CA GLU A 42 -8.871 -13.893 7.513 1.00 0.01 C ATOM 653 C GLU A 42 -9.123 -13.978 6.013 1.00 0.02 C ATOM 654 O GLU A 42 -9.045 -15.039 5.429 1.00 0.01 O ATOM 655 CB GLU A 42 -10.199 -14.024 8.261 1.00 0.99 C ATOM 656 CG GLU A 42 -9.961 -13.861 9.765 1.00 1.86 C ATOM 657 CD GLU A 42 -9.217 -15.085 10.301 1.00 3.10 C ATOM 658 OE1 GLU A 42 -8.013 -15.151 10.113 1.00 3.81 O ATOM 659 OE2 GLU A 42 -9.863 -15.936 10.889 1.00 3.67 O ATOM 0 H GLU A 42 -8.865 -11.867 8.192 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.202 -14.703 7.804 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.902 -13.268 7.910 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.648 -14.996 8.057 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.382 -12.958 9.956 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.913 -13.745 10.284 1.00 1.86 H new ATOM 666 N GLY A 43 -9.430 -12.889 5.376 1.00 0.01 N ATOM 667 CA GLY A 43 -9.691 -12.959 3.916 1.00 0.02 C ATOM 668 C GLY A 43 -9.631 -11.567 3.306 1.00 0.02 C ATOM 669 O GLY A 43 -9.918 -10.585 3.960 1.00 0.02 O ATOM 0 H GLY A 43 -9.511 -11.963 5.796 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.955 -13.606 3.438 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.670 -13.402 3.735 1.00 0.02 H new ATOM 673 N GLY A 44 -9.283 -11.470 2.056 1.00 0.00 N ATOM 674 CA GLY A 44 -9.232 -10.128 1.418 1.00 0.01 C ATOM 675 C GLY A 44 -7.913 -9.437 1.758 1.00 0.01 C ATOM 676 O GLY A 44 -7.136 -9.907 2.564 1.00 0.01 O ATOM 0 H GLY A 44 -9.034 -12.254 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.332 -10.226 0.337 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.069 -9.521 1.762 1.00 0.01 H new ATOM 680 N THR A 45 -7.690 -8.296 1.169 1.00 0.01 N ATOM 681 CA THR A 45 -6.458 -7.500 1.458 1.00 0.00 C ATOM 682 C THR A 45 -6.897 -6.250 2.217 1.00 0.01 C ATOM 683 O THR A 45 -8.054 -5.880 2.171 1.00 0.01 O ATOM 684 CB THR A 45 -5.751 -7.117 0.158 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.231 -8.288 -0.456 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.604 -6.154 0.472 1.00 1.48 C ATOM 0 H THR A 45 -8.319 -7.872 0.487 1.00 0.01 H new ATOM 0 HA THR A 45 -5.753 -8.083 2.051 1.00 0.00 H new ATOM 0 HB THR A 45 -6.458 -6.635 -0.517 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.778 -8.046 -1.291 1.00 0.88 H new ATOM 0 HG21 THR A 45 -4.097 -5.878 -0.453 1.00 1.48 H new ATOM 0 HG22 THR A 45 -5.001 -5.258 0.949 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.895 -6.639 1.144 1.00 1.48 H new ATOM 694 N TRP A 46 -6.009 -5.578 2.905 1.00 0.02 N ATOM 695 CA TRP A 46 -6.437 -4.350 3.648 1.00 0.01 C ATOM 696 C TRP A 46 -5.312 -3.312 3.718 1.00 0.01 C ATOM 697 O TRP A 46 -4.145 -3.632 3.819 1.00 0.01 O ATOM 698 CB TRP A 46 -6.837 -4.740 5.073 1.00 0.00 C ATOM 699 CG TRP A 46 -8.123 -5.502 5.044 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.245 -6.812 4.733 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.468 -5.024 5.336 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.580 -7.168 4.809 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.373 -6.100 5.178 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.987 -3.772 5.714 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.742 -5.941 5.394 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.364 -3.609 5.933 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.240 -4.691 5.770 1.00 0.01 C ATOM 0 H TRP A 46 -5.021 -5.820 2.985 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.279 -3.909 3.115 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.054 -5.346 5.528 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.946 -3.847 5.688 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.433 -7.473 4.468 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.935 -8.105 4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.321 -2.930 5.837 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.413 -6.779 5.271 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.750 -2.645 6.229 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.299 -4.559 5.935 1.00 0.01 H new ATOM 718 N ALA A 47 -5.686 -2.058 3.738 1.00 0.01 N ATOM 719 CA ALA A 47 -4.695 -0.950 3.887 1.00 0.01 C ATOM 720 C ALA A 47 -4.932 -0.377 5.283 1.00 0.01 C ATOM 721 O ALA A 47 -6.051 -0.091 5.659 1.00 0.01 O ATOM 722 CB ALA A 47 -4.931 0.120 2.820 1.00 0.24 C ATOM 0 H ALA A 47 -6.655 -1.750 3.656 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.670 -1.301 3.764 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.202 0.921 2.941 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.823 -0.323 1.830 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.937 0.526 2.928 1.00 0.24 H new ATOM 728 N VAL A 48 -3.882 -0.189 6.047 1.00 0.01 N ATOM 729 CA VAL A 48 -4.028 0.389 7.422 1.00 0.02 C ATOM 730 C VAL A 48 -3.292 1.722 7.498 1.00 0.01 C ATOM 731 O VAL A 48 -2.232 1.878 6.928 1.00 0.01 O ATOM 732 CB VAL A 48 -3.464 -0.581 8.458 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.173 -1.929 8.328 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.963 -0.764 8.223 1.00 0.65 C ATOM 0 H VAL A 48 -2.924 -0.412 5.776 1.00 0.01 H new ATOM 0 HA VAL A 48 -5.085 0.552 7.633 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.625 -0.181 9.459 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.772 -2.624 9.066 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.242 -1.796 8.497 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.011 -2.330 7.327 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.561 -1.456 8.963 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.797 -1.165 7.223 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.460 0.199 8.316 1.00 0.65 H new ATOM 744 N TYR A 49 -3.847 2.685 8.199 1.00 0.01 N ATOM 745 CA TYR A 49 -3.185 4.026 8.315 1.00 0.01 C ATOM 746 C TYR A 49 -2.901 4.327 9.785 1.00 0.01 C ATOM 747 O TYR A 49 -3.654 3.971 10.676 1.00 0.02 O ATOM 748 CB TYR A 49 -4.106 5.101 7.734 1.00 0.01 C ATOM 749 CG TYR A 49 -4.218 4.909 6.236 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.924 3.814 5.721 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.620 5.828 5.362 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.028 3.635 4.336 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.725 5.648 3.978 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.430 4.554 3.464 1.00 0.02 C ATOM 755 OH TYR A 49 -4.534 4.377 2.099 1.00 0.01 O ATOM 0 H TYR A 49 -4.733 2.599 8.697 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.246 4.020 7.761 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -5.092 5.039 8.195 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.712 6.093 7.957 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.388 3.107 6.393 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.078 6.675 5.757 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.569 2.788 3.940 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.261 6.355 3.306 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.064 5.103 1.638 1.00 0.01 H new ATOM 765 N GLU A 50 -1.783 4.959 10.026 1.00 0.01 N ATOM 766 CA GLU A 50 -1.349 5.275 11.416 1.00 0.01 C ATOM 767 C GLU A 50 -2.309 6.252 12.097 1.00 0.01 C ATOM 768 O GLU A 50 -2.500 6.183 13.295 1.00 0.02 O ATOM 769 CB GLU A 50 0.046 5.902 11.351 1.00 0.02 C ATOM 770 CG GLU A 50 0.618 6.040 12.764 1.00 0.01 C ATOM 771 CD GLU A 50 2.111 6.362 12.677 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.773 5.785 11.830 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.566 7.179 13.459 1.00 0.01 O ATOM 0 H GLU A 50 -1.139 5.276 9.301 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.341 4.354 12.000 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.705 5.284 10.741 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -0.007 6.880 10.873 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.095 6.829 13.305 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.466 5.116 13.322 1.00 0.01 H new ATOM 780 N ARG A 51 -2.896 7.175 11.367 1.00 0.02 N ATOM 781 CA ARG A 51 -3.822 8.168 12.012 1.00 0.02 C ATOM 782 C ARG A 51 -5.195 8.126 11.310 1.00 0.01 C ATOM 783 O ARG A 51 -5.297 7.699 10.173 1.00 0.02 O ATOM 784 CB ARG A 51 -3.191 9.571 11.856 1.00 0.02 C ATOM 785 CG ARG A 51 -2.368 9.924 13.103 1.00 0.01 C ATOM 786 CD ARG A 51 -1.630 11.243 12.872 1.00 0.02 C ATOM 787 NE ARG A 51 -0.770 11.126 11.661 1.00 0.02 N ATOM 788 CZ ARG A 51 -0.287 12.200 11.100 1.00 0.02 C ATOM 789 NH1 ARG A 51 -0.557 13.376 11.599 1.00 0.02 N ATOM 790 NH2 ARG A 51 0.466 12.097 10.038 1.00 0.01 N ATOM 0 H ARG A 51 -2.776 7.284 10.360 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.966 7.933 13.067 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.554 9.595 10.972 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.973 10.315 11.705 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -3.022 10.008 13.971 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.654 9.129 13.318 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -2.346 12.055 12.746 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -1.020 11.488 13.742 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.559 10.207 11.271 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -1.146 13.455 12.428 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -0.179 14.215 11.160 1.00 0.02 H new ATOM 0 HH21 ARG A 51 0.676 11.178 9.649 1.00 0.01 H new ATOM 0 HH22 ARG A 51 0.845 12.936 9.598 1.00 0.01 H new ATOM 804 N PRO A 52 -6.247 8.571 11.985 1.00 0.02 N ATOM 805 CA PRO A 52 -7.618 8.563 11.394 1.00 0.02 C ATOM 806 C PRO A 52 -7.686 9.264 10.034 1.00 0.01 C ATOM 807 O PRO A 52 -6.801 9.994 9.638 1.00 0.02 O ATOM 808 CB PRO A 52 -8.456 9.307 12.459 1.00 0.02 C ATOM 809 CG PRO A 52 -7.512 9.781 13.581 1.00 0.01 C ATOM 810 CD PRO A 52 -6.149 9.105 13.379 1.00 0.01 C ATOM 0 HA PRO A 52 -7.973 7.554 11.184 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.969 10.158 12.011 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.225 8.649 12.864 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.406 10.866 13.555 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.923 9.524 14.557 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.327 9.813 13.484 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.980 8.310 14.106 1.00 0.01 H new ATOM 818 N ASN A 53 -8.780 9.052 9.351 1.00 0.02 N ATOM 819 CA ASN A 53 -9.009 9.699 8.032 1.00 0.02 C ATOM 820 C ASN A 53 -7.979 9.238 7.002 1.00 0.01 C ATOM 821 O ASN A 53 -7.545 9.989 6.152 1.00 0.01 O ATOM 822 CB ASN A 53 -8.938 11.221 8.196 1.00 0.01 C ATOM 823 CG ASN A 53 -9.590 11.897 6.986 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.738 11.642 6.680 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.901 12.750 6.279 1.00 0.01 N ATOM 0 H ASN A 53 -9.538 8.444 9.661 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.996 9.410 7.671 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.446 11.523 9.112 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.900 11.539 8.288 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.326 13.203 5.470 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.937 12.964 6.536 1.00 0.01 H new ATOM 832 N PHE A 54 -7.614 7.987 7.065 1.00 0.02 N ATOM 833 CA PHE A 54 -6.642 7.427 6.087 1.00 0.01 C ATOM 834 C PHE A 54 -5.459 8.379 5.900 1.00 0.01 C ATOM 835 O PHE A 54 -5.092 8.728 4.796 1.00 0.02 O ATOM 836 CB PHE A 54 -7.359 7.194 4.744 1.00 1.78 C ATOM 837 CG PHE A 54 -8.810 6.835 4.997 1.00 2.32 C ATOM 838 CD1 PHE A 54 -9.126 5.724 5.787 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.837 7.613 4.441 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.464 5.389 6.021 1.00 3.03 C ATOM 841 CE2 PHE A 54 -11.174 7.276 4.676 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.488 6.165 5.466 1.00 3.39 C ATOM 0 H PHE A 54 -7.952 7.322 7.761 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.256 6.480 6.464 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.298 8.091 4.127 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.867 6.393 4.192 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.337 5.125 6.216 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.595 8.471 3.832 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.707 4.531 6.630 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.965 7.874 4.247 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.521 5.906 5.648 1.00 3.39 H new ATOM 852 N SER A 55 -4.866 8.796 6.993 1.00 0.02 N ATOM 853 CA SER A 55 -3.695 9.733 6.926 1.00 0.02 C ATOM 854 C SER A 55 -2.511 9.142 7.695 1.00 0.01 C ATOM 855 O SER A 55 -2.660 8.215 8.469 1.00 0.01 O ATOM 856 CB SER A 55 -4.087 11.070 7.556 1.00 1.90 C ATOM 857 OG SER A 55 -5.000 11.744 6.699 1.00 2.33 O ATOM 0 H SER A 55 -5.144 8.526 7.937 1.00 0.02 H new ATOM 0 HA SER A 55 -3.410 9.881 5.884 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.541 10.905 8.533 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.200 11.683 7.716 1.00 1.90 H new ATOM 0 HG SER A 55 -5.776 11.169 6.530 1.00 2.33 H new ATOM 863 N GLY A 56 -1.326 9.657 7.474 1.00 0.02 N ATOM 864 CA GLY A 56 -0.120 9.117 8.172 1.00 0.02 C ATOM 865 C GLY A 56 0.479 7.972 7.349 1.00 0.02 C ATOM 866 O GLY A 56 0.210 7.841 6.172 1.00 0.00 O ATOM 0 H GLY A 56 -1.143 10.432 6.837 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.619 9.907 8.307 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.391 8.761 9.166 1.00 0.02 H new ATOM 870 N HIS A 57 1.300 7.153 7.945 1.00 0.02 N ATOM 871 CA HIS A 57 1.924 6.040 7.172 1.00 0.02 C ATOM 872 C HIS A 57 0.860 5.029 6.755 1.00 0.01 C ATOM 873 O HIS A 57 -0.011 4.684 7.530 1.00 0.01 O ATOM 874 CB HIS A 57 2.975 5.343 8.037 1.00 0.00 C ATOM 875 CG HIS A 57 4.111 6.290 8.303 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.347 5.853 8.752 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.215 7.654 8.184 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.136 6.934 8.887 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.495 8.059 8.554 1.00 0.01 N ATOM 0 H HIS A 57 1.566 7.204 8.928 1.00 0.02 H new ATOM 0 HA HIS A 57 2.396 6.450 6.279 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.530 5.018 8.978 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.343 4.449 7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.425 8.312 7.854 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.162 6.898 9.223 1.00 0.02 H new ATOM 0 HE2 HIS A 57 5.864 9.010 8.568 1.00 0.01 H new ATOM 887 N MET A 58 0.934 4.542 5.535 1.00 0.02 N ATOM 888 CA MET A 58 -0.065 3.537 5.048 1.00 0.02 C ATOM 889 C MET A 58 0.654 2.233 4.673 1.00 0.01 C ATOM 890 O MET A 58 1.705 2.242 4.064 1.00 0.01 O ATOM 891 CB MET A 58 -0.788 4.096 3.820 1.00 2.61 C ATOM 892 CG MET A 58 0.185 4.203 2.646 1.00 3.46 C ATOM 893 SD MET A 58 -0.521 5.289 1.382 1.00 4.50 S ATOM 894 CE MET A 58 -1.568 4.050 0.578 1.00 5.01 C ATOM 0 H MET A 58 1.648 4.800 4.854 1.00 0.02 H new ATOM 0 HA MET A 58 -0.789 3.333 5.837 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.623 3.449 3.553 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.205 5.077 4.048 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.142 4.597 2.987 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.378 3.215 2.227 1.00 3.46 H new ATOM 0 HE1 MET A 58 -2.134 4.519 -0.227 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.943 3.257 0.168 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.258 3.627 1.308 1.00 5.01 H new ATOM 904 N TYR A 59 0.085 1.114 5.044 1.00 0.02 N ATOM 905 CA TYR A 59 0.705 -0.217 4.732 1.00 0.01 C ATOM 906 C TYR A 59 -0.368 -1.151 4.163 1.00 0.01 C ATOM 907 O TYR A 59 -1.491 -1.182 4.625 1.00 0.02 O ATOM 908 CB TYR A 59 1.257 -0.836 6.014 1.00 0.01 C ATOM 909 CG TYR A 59 2.486 -0.082 6.463 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.739 -0.399 5.926 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.370 0.930 7.421 1.00 0.01 C ATOM 912 CE1 TYR A 59 4.879 0.296 6.351 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.507 1.625 7.846 1.00 0.01 C ATOM 914 CZ TYR A 59 4.761 1.309 7.312 1.00 0.01 C ATOM 915 OH TYR A 59 5.883 1.995 7.733 1.00 0.01 O ATOM 0 H TYR A 59 -0.795 1.062 5.557 1.00 0.02 H new ATOM 0 HA TYR A 59 1.509 -0.080 4.009 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.498 -0.810 6.796 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.505 -1.884 5.845 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.827 -1.179 5.184 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.402 1.175 7.833 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.847 0.051 5.939 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.417 2.406 8.587 1.00 0.01 H new ATOM 0 HH TYR A 59 5.626 2.664 8.401 1.00 0.01 H new ATOM 925 N ILE A 60 -0.012 -1.935 3.174 1.00 0.02 N ATOM 926 CA ILE A 60 -0.982 -2.903 2.572 1.00 0.01 C ATOM 927 C ILE A 60 -0.761 -4.275 3.220 1.00 0.01 C ATOM 928 O ILE A 60 0.362 -4.721 3.353 1.00 0.01 O ATOM 929 CB ILE A 60 -0.763 -2.996 1.053 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.304 -1.730 0.374 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.512 -4.218 0.497 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.621 -0.486 0.949 1.00 1.72 C ATOM 0 H ILE A 60 0.918 -1.945 2.755 1.00 0.02 H new ATOM 0 HA ILE A 60 -2.003 -2.566 2.750 1.00 0.01 H new ATOM 0 HB ILE A 60 0.304 -3.094 0.853 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -1.132 -1.784 -0.701 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.382 -1.662 0.521 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.355 -4.282 -0.580 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.135 -5.123 0.973 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.577 -4.116 0.703 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.014 0.404 0.458 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.816 -0.426 2.020 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.454 -0.549 0.779 1.00 1.72 H new ATOM 944 N LEU A 61 -1.816 -4.936 3.637 1.00 0.01 N ATOM 945 CA LEU A 61 -1.664 -6.278 4.299 1.00 0.01 C ATOM 946 C LEU A 61 -2.435 -7.371 3.511 1.00 0.01 C ATOM 947 O LEU A 61 -3.648 -7.348 3.480 1.00 0.00 O ATOM 948 CB LEU A 61 -2.244 -6.184 5.737 1.00 0.01 C ATOM 949 CG LEU A 61 -1.108 -6.093 6.770 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.649 -5.549 8.092 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.509 -7.486 7.011 1.00 0.01 C ATOM 0 H LEU A 61 -2.777 -4.606 3.549 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.608 -6.548 4.323 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.889 -5.309 5.819 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.863 -7.057 5.944 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.338 -5.424 6.386 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.839 -5.487 8.819 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.069 -4.556 7.932 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.425 -6.215 8.469 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.295 -7.415 7.744 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.283 -8.155 7.386 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.113 -7.879 6.075 1.00 0.01 H new ATOM 963 N PRO A 62 -1.766 -8.346 2.902 1.00 0.02 N ATOM 964 CA PRO A 62 -2.501 -9.431 2.191 1.00 0.01 C ATOM 965 C PRO A 62 -3.067 -10.438 3.207 1.00 0.00 C ATOM 966 O PRO A 62 -2.734 -10.398 4.375 1.00 0.02 O ATOM 967 CB PRO A 62 -1.401 -10.058 1.321 1.00 1.47 C ATOM 968 CG PRO A 62 -0.041 -9.640 1.910 1.00 1.29 C ATOM 969 CD PRO A 62 -0.274 -8.446 2.857 1.00 0.82 C ATOM 0 HA PRO A 62 -3.358 -9.090 1.610 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.495 -11.144 1.310 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.491 -9.720 0.289 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.411 -10.472 2.451 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.650 -9.364 1.113 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.150 -8.625 3.845 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.181 -7.532 2.476 1.00 0.82 H new ATOM 977 N GLN A 63 -3.921 -11.330 2.787 1.00 0.02 N ATOM 978 CA GLN A 63 -4.496 -12.318 3.747 1.00 0.00 C ATOM 979 C GLN A 63 -3.376 -13.049 4.497 1.00 0.00 C ATOM 980 O GLN A 63 -2.361 -13.389 3.925 1.00 0.02 O ATOM 981 CB GLN A 63 -5.333 -13.338 2.974 1.00 1.27 C ATOM 982 CG GLN A 63 -5.914 -14.362 3.950 1.00 1.67 C ATOM 983 CD GLN A 63 -6.937 -15.236 3.224 1.00 2.43 C ATOM 984 OE1 GLN A 63 -7.272 -14.979 2.085 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.452 -16.264 3.838 1.00 3.04 N ATOM 0 H GLN A 63 -4.246 -11.419 1.824 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.119 -11.790 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.137 -12.834 2.438 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.717 -13.839 2.227 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.117 -14.982 4.361 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -6.386 -13.852 4.790 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -7.171 -16.480 4.794 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -8.136 -16.852 3.362 1.00 3.04 H new ATOM 994 N GLY A 64 -3.548 -13.306 5.773 1.00 0.02 N ATOM 995 CA GLY A 64 -2.480 -14.027 6.529 1.00 0.01 C ATOM 996 C GLY A 64 -2.573 -13.711 8.023 1.00 0.02 C ATOM 997 O GLY A 64 -3.451 -13.001 8.473 1.00 0.02 O ATOM 0 H GLY A 64 -4.373 -13.050 6.316 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.577 -15.101 6.372 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.500 -13.737 6.151 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.663 -14.246 8.797 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.666 -14.001 10.276 1.00 0.02 C ATOM 1003 C GLU A 65 -0.366 -13.306 10.679 1.00 0.02 C ATOM 1004 O GLU A 65 0.718 -13.736 10.339 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.761 -15.343 11.004 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.044 -15.095 12.487 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.305 -16.428 13.188 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -3.450 -16.850 13.210 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -1.355 -17.007 13.688 1.00 0.71 O ATOM 0 H GLU A 65 -0.909 -14.849 8.466 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.515 -13.371 10.541 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.553 -15.951 10.568 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.831 -15.900 10.888 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.197 -14.589 12.950 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.907 -14.439 12.598 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.480 -12.233 11.423 1.00 0.02 N ATOM 1017 CA TYR A 66 0.719 -11.481 11.893 1.00 0.02 C ATOM 1018 C TYR A 66 0.689 -11.453 13.434 1.00 0.02 C ATOM 1019 O TYR A 66 0.067 -10.586 14.025 1.00 0.02 O ATOM 1020 CB TYR A 66 0.627 -10.053 11.346 1.00 0.01 C ATOM 1021 CG TYR A 66 0.516 -10.120 9.839 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.681 -10.539 9.241 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.615 -9.783 9.039 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.777 -10.618 7.847 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.518 -9.866 7.644 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.322 -10.284 7.050 1.00 0.02 C ATOM 1027 OH TYR A 66 0.227 -10.365 5.675 1.00 0.01 O ATOM 0 H TYR A 66 -1.371 -11.842 11.728 1.00 0.02 H new ATOM 0 HA TYR A 66 1.643 -11.947 11.551 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.239 -9.542 11.767 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.508 -9.480 11.635 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.529 -10.801 9.856 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.538 -9.459 9.498 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.700 -10.937 7.387 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.366 -9.607 7.027 1.00 0.02 H new ATOM 0 HH TYR A 66 -0.717 -10.368 5.412 1.00 0.01 H new ATOM 1037 N PRO A 67 1.335 -12.396 14.096 1.00 0.01 N ATOM 1038 CA PRO A 67 1.321 -12.431 15.584 1.00 0.02 C ATOM 1039 C PRO A 67 2.029 -11.232 16.234 1.00 0.02 C ATOM 1040 O PRO A 67 2.015 -11.094 17.441 1.00 0.02 O ATOM 1041 CB PRO A 67 2.050 -13.756 15.907 1.00 0.02 C ATOM 1042 CG PRO A 67 2.395 -14.459 14.579 1.00 0.02 C ATOM 1043 CD PRO A 67 2.097 -13.488 13.424 1.00 0.01 C ATOM 0 HA PRO A 67 0.307 -12.374 15.980 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.957 -13.560 16.479 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.418 -14.396 16.522 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.445 -14.752 14.567 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.808 -15.371 14.469 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.012 -13.117 12.962 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.512 -13.964 12.637 1.00 0.01 H new ATOM 1051 N GLU A 68 2.631 -10.356 15.472 1.00 0.01 N ATOM 1052 CA GLU A 68 3.307 -9.180 16.091 1.00 0.01 C ATOM 1053 C GLU A 68 3.400 -8.079 15.034 1.00 0.03 C ATOM 1054 O GLU A 68 3.375 -8.328 13.846 1.00 0.02 O ATOM 1055 CB GLU A 68 4.723 -9.562 16.537 1.00 0.69 C ATOM 1056 CG GLU A 68 4.658 -10.548 17.707 1.00 1.09 C ATOM 1057 CD GLU A 68 6.032 -10.640 18.372 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.695 -9.619 18.459 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.397 -11.728 18.785 1.00 1.55 O ATOM 0 H GLU A 68 2.683 -10.404 14.454 1.00 0.01 H new ATOM 0 HA GLU A 68 2.742 -8.842 16.959 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.267 -10.009 15.705 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.273 -8.669 16.834 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.912 -10.221 18.432 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.347 -11.531 17.352 1.00 1.09 H new ATOM 1066 N TYR A 69 3.448 -6.853 15.471 1.00 0.02 N ATOM 1067 CA TYR A 69 3.472 -5.718 14.508 1.00 0.02 C ATOM 1068 C TYR A 69 4.687 -5.785 13.576 1.00 0.01 C ATOM 1069 O TYR A 69 4.598 -5.470 12.405 1.00 0.01 O ATOM 1070 CB TYR A 69 3.437 -4.389 15.273 1.00 0.02 C ATOM 1071 CG TYR A 69 4.786 -4.109 15.894 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.137 -4.710 17.109 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.684 -3.243 15.258 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.384 -4.445 17.687 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.932 -2.979 15.836 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.281 -3.580 17.051 1.00 0.02 C ATOM 1077 OH TYR A 69 8.510 -3.319 17.621 1.00 0.01 O ATOM 0 H TYR A 69 3.472 -6.587 16.455 1.00 0.02 H new ATOM 0 HA TYR A 69 2.586 -5.789 13.876 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.165 -3.579 14.597 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.672 -4.427 16.049 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.445 -5.378 17.600 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.414 -2.778 14.321 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.654 -4.909 18.624 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.625 -2.312 15.345 1.00 0.02 H new ATOM 0 HH TYR A 69 9.110 -4.079 17.468 1.00 0.01 H new ATOM 1087 N GLN A 70 5.822 -6.189 14.082 1.00 0.01 N ATOM 1088 CA GLN A 70 7.045 -6.276 13.229 1.00 0.02 C ATOM 1089 C GLN A 70 6.824 -7.247 12.060 1.00 0.01 C ATOM 1090 O GLN A 70 7.467 -7.156 11.034 1.00 0.02 O ATOM 1091 CB GLN A 70 8.214 -6.785 14.074 1.00 0.01 C ATOM 1092 CG GLN A 70 8.323 -5.958 15.355 1.00 0.01 C ATOM 1093 CD GLN A 70 9.488 -6.476 16.200 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.016 -5.763 17.030 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.912 -7.697 16.023 1.00 0.02 N ATOM 0 H GLN A 70 5.956 -6.464 15.055 1.00 0.01 H new ATOM 0 HA GLN A 70 7.262 -5.284 12.833 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.066 -7.837 14.320 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.142 -6.718 13.506 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.477 -4.907 15.110 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.394 -6.021 15.921 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.468 -8.295 15.326 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.687 -8.054 16.582 1.00 0.02 H new ATOM 1104 N ARG A 71 5.913 -8.171 12.214 1.00 0.01 N ATOM 1105 CA ARG A 71 5.650 -9.145 11.114 1.00 0.02 C ATOM 1106 C ARG A 71 4.948 -8.406 9.967 1.00 0.01 C ATOM 1107 O ARG A 71 4.914 -8.851 8.839 1.00 0.02 O ATOM 1108 CB ARG A 71 4.779 -10.310 11.645 1.00 0.34 C ATOM 1109 CG ARG A 71 5.264 -11.660 11.076 1.00 0.72 C ATOM 1110 CD ARG A 71 5.008 -11.740 9.556 1.00 1.04 C ATOM 1111 NE ARG A 71 4.516 -13.108 9.198 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.113 -14.183 9.645 1.00 2.47 C ATOM 1113 NH1 ARG A 71 6.243 -14.093 10.288 1.00 2.54 N ATOM 1114 NH2 ARG A 71 4.598 -15.358 9.406 1.00 3.42 N ATOM 0 H ARG A 71 5.342 -8.293 13.050 1.00 0.01 H new ATOM 0 HA ARG A 71 6.585 -9.568 10.746 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.820 -10.333 12.734 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.737 -10.147 11.368 1.00 0.34 H new ATOM 0 HG2 ARG A 71 6.328 -11.783 11.277 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.748 -12.478 11.579 1.00 0.72 H new ATOM 0 HD2 ARG A 71 4.274 -10.990 9.261 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.926 -11.519 9.011 1.00 1.04 H new ATOM 0 HE ARG A 71 3.700 -13.204 8.594 1.00 1.67 H new ATOM 0 HH11 ARG A 71 6.668 -13.180 10.446 1.00 2.54 H new ATOM 0 HH12 ARG A 71 6.702 -14.936 10.633 1.00 2.54 H new ATOM 0 HH21 ARG A 71 3.732 -15.436 8.872 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.061 -16.198 9.753 1.00 3.42 H new ATOM 1128 N TRP A 72 4.395 -7.264 10.274 1.00 0.02 N ATOM 1129 CA TRP A 72 3.686 -6.439 9.254 1.00 0.01 C ATOM 1130 C TRP A 72 4.584 -5.231 8.943 1.00 0.01 C ATOM 1131 O TRP A 72 4.195 -4.287 8.290 1.00 0.02 O ATOM 1132 CB TRP A 72 2.320 -6.031 9.864 1.00 0.02 C ATOM 1133 CG TRP A 72 1.889 -4.654 9.460 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.626 -4.252 8.195 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.640 -3.502 10.315 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.243 -2.924 8.222 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.236 -2.418 9.504 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.733 -3.295 11.703 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.931 -1.170 10.052 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.425 -2.041 12.257 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.026 -0.981 11.433 1.00 0.02 C ATOM 0 H TRP A 72 4.405 -6.859 11.210 1.00 0.02 H new ATOM 0 HA TRP A 72 3.495 -6.968 8.320 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.561 -6.749 9.555 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.383 -6.082 10.951 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.703 -4.867 7.311 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.995 -2.384 7.393 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.043 -4.105 12.347 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.624 -0.356 9.412 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.496 -1.894 13.325 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.792 -0.019 11.865 1.00 0.02 H new ATOM 1152 N MET A 73 5.796 -5.282 9.424 1.00 0.02 N ATOM 1153 CA MET A 73 6.769 -4.173 9.194 1.00 0.02 C ATOM 1154 C MET A 73 6.224 -2.856 9.763 1.00 0.01 C ATOM 1155 O MET A 73 6.622 -1.779 9.365 1.00 0.02 O ATOM 1156 CB MET A 73 7.053 -4.017 7.693 1.00 0.02 C ATOM 1157 CG MET A 73 7.611 -5.330 7.130 1.00 0.01 C ATOM 1158 SD MET A 73 6.266 -6.522 6.896 1.00 0.01 S ATOM 1159 CE MET A 73 5.388 -5.659 5.567 1.00 0.01 C ATOM 0 H MET A 73 6.160 -6.058 9.976 1.00 0.02 H new ATOM 0 HA MET A 73 7.699 -4.419 9.706 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.138 -3.745 7.167 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.766 -3.209 7.531 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.113 -5.144 6.181 1.00 0.01 H new ATOM 0 HG3 MET A 73 8.357 -5.740 7.811 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.163 -6.361 4.764 1.00 0.01 H new ATOM 0 HE2 MET A 73 4.459 -5.242 5.955 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.013 -4.854 5.181 1.00 0.01 H new ATOM 1169 N GLY A 74 5.319 -2.944 10.704 1.00 0.02 N ATOM 1170 CA GLY A 74 4.750 -1.710 11.312 1.00 0.02 C ATOM 1171 C GLY A 74 5.875 -0.905 11.958 1.00 0.01 C ATOM 1172 O GLY A 74 6.803 -1.456 12.515 1.00 0.01 O ATOM 0 H GLY A 74 4.951 -3.819 11.076 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.250 -1.112 10.550 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.998 -1.970 12.057 1.00 0.02 H new ATOM 1176 N LEU A 75 5.788 0.398 11.925 1.00 0.02 N ATOM 1177 CA LEU A 75 6.844 1.221 12.580 1.00 0.02 C ATOM 1178 C LEU A 75 6.561 1.240 14.088 1.00 0.01 C ATOM 1179 O LEU A 75 7.462 1.309 14.900 1.00 0.02 O ATOM 1180 CB LEU A 75 6.822 2.644 12.009 1.00 0.55 C ATOM 1181 CG LEU A 75 7.979 3.469 12.597 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.332 2.946 12.083 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.803 4.936 12.188 1.00 0.42 C ATOM 0 H LEU A 75 5.038 0.924 11.477 1.00 0.02 H new ATOM 0 HA LEU A 75 7.831 0.799 12.394 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.905 2.609 10.923 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.870 3.122 12.240 1.00 0.55 H new ATOM 0 HG LEU A 75 7.966 3.380 13.683 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.138 3.542 12.510 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.455 1.904 12.379 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.362 3.021 10.996 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.619 5.529 12.601 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.811 5.014 11.101 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.853 5.309 12.571 1.00 0.42 H new ATOM 1195 N ASN A 76 5.310 1.147 14.461 1.00 0.01 N ATOM 1196 CA ASN A 76 4.924 1.121 15.896 1.00 0.02 C ATOM 1197 C ASN A 76 3.551 0.449 15.964 1.00 0.02 C ATOM 1198 O ASN A 76 3.074 -0.077 14.978 1.00 0.02 O ATOM 1199 CB ASN A 76 4.844 2.549 16.443 1.00 0.02 C ATOM 1200 CG ASN A 76 4.563 2.501 17.947 1.00 0.02 C ATOM 1201 OD1 ASN A 76 5.259 1.833 18.685 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.566 3.185 18.434 1.00 0.02 N ATOM 0 H ASN A 76 4.525 1.087 13.812 1.00 0.01 H new ATOM 0 HA ASN A 76 5.656 0.579 16.494 1.00 0.02 H new ATOM 0 HB2 ASN A 76 5.779 3.076 16.253 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.056 3.103 15.932 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.370 3.159 19.435 1.00 0.02 H new ATOM 0 HD22 ASN A 76 2.981 3.746 17.814 1.00 0.02 H new ATOM 1209 N ASP A 77 2.908 0.439 17.104 1.00 0.01 N ATOM 1210 CA ASP A 77 1.570 -0.227 17.201 1.00 0.01 C ATOM 1211 C ASP A 77 0.447 0.806 17.075 1.00 0.01 C ATOM 1212 O ASP A 77 -0.631 0.618 17.605 1.00 0.01 O ATOM 1213 CB ASP A 77 1.452 -0.924 18.559 1.00 0.01 C ATOM 1214 CG ASP A 77 1.806 0.064 19.671 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.154 1.092 19.752 1.00 0.02 O ATOM 1216 OD2 ASP A 77 2.722 -0.224 20.424 1.00 0.01 O ATOM 0 H ASP A 77 3.248 0.860 17.969 1.00 0.01 H new ATOM 0 HA ASP A 77 1.480 -0.953 16.393 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.438 -1.299 18.700 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.119 -1.785 18.597 1.00 0.01 H new ATOM 1221 N ARG A 78 0.680 1.900 16.392 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.389 2.941 16.259 1.00 0.01 C ATOM 1223 C ARG A 78 -1.154 2.753 14.946 1.00 0.02 C ATOM 1224 O ARG A 78 -0.589 2.802 13.871 1.00 0.02 O ATOM 1225 CB ARG A 78 0.248 4.338 16.300 1.00 0.43 C ATOM 1226 CG ARG A 78 0.598 4.720 17.749 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.680 4.932 18.584 1.00 1.00 C ATOM 1228 NE ARG A 78 -0.437 5.996 19.599 1.00 1.30 N ATOM 1229 CZ ARG A 78 -1.447 6.553 20.209 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.662 6.173 19.932 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -1.243 7.488 21.095 1.00 3.20 N ATOM 0 H ARG A 78 1.559 2.117 15.923 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.091 2.839 17.087 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.148 4.354 15.685 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.439 5.072 15.879 1.00 0.43 H new ATOM 0 HG2 ARG A 78 1.206 3.936 18.200 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.197 5.631 17.755 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.509 5.215 17.935 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.964 4.002 19.077 1.00 1.00 H new ATOM 0 HE ARG A 78 0.516 6.288 19.816 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.822 5.441 19.240 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.453 6.607 20.408 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -0.292 7.786 21.313 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -2.034 7.922 21.570 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.445 2.563 15.029 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.281 2.396 13.803 1.00 0.01 C ATOM 1247 C LEU A 79 -4.636 3.065 14.068 1.00 0.01 C ATOM 1248 O LEU A 79 -5.331 2.715 15.002 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.475 0.905 13.518 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.211 0.330 12.861 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.372 -1.187 12.729 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.984 0.961 11.466 1.00 2.61 C ATOM 0 H LEU A 79 -2.963 2.516 15.907 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.799 2.853 12.938 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.688 0.373 14.445 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.334 0.760 12.863 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.345 0.561 13.481 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.481 -1.608 12.264 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.507 -1.626 13.718 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.243 -1.408 12.112 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.084 0.540 11.018 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.841 0.748 10.827 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.867 2.040 11.569 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.991 4.059 13.286 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.278 4.799 13.526 1.00 0.02 C ATOM 1266 C GLY A 80 -7.340 4.518 12.451 1.00 0.02 C ATOM 1267 O GLY A 80 -8.509 4.796 12.658 1.00 0.01 O ATOM 0 H GLY A 80 -4.446 4.392 12.491 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.674 4.521 14.502 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.075 5.869 13.558 1.00 0.02 H new ATOM 1271 N SER A 81 -6.983 3.976 11.313 1.00 0.01 N ATOM 1272 CA SER A 81 -8.039 3.720 10.276 1.00 0.01 C ATOM 1273 C SER A 81 -7.614 2.602 9.332 1.00 0.02 C ATOM 1274 O SER A 81 -6.445 2.320 9.157 1.00 0.01 O ATOM 1275 CB SER A 81 -8.277 4.993 9.467 1.00 0.01 C ATOM 1276 OG SER A 81 -9.148 4.702 8.383 1.00 0.01 O ATOM 0 H SER A 81 -6.033 3.705 11.058 1.00 0.01 H new ATOM 0 HA SER A 81 -8.955 3.420 10.785 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.712 5.765 10.101 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.330 5.383 9.094 1.00 0.01 H new ATOM 0 HG SER A 81 -9.172 5.465 7.769 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.575 1.962 8.712 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.251 0.851 7.767 1.00 0.01 C ATOM 1284 C CYS A 82 -9.249 0.824 6.609 1.00 0.01 C ATOM 1285 O CYS A 82 -10.408 1.161 6.758 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.294 -0.485 8.511 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.084 -0.465 9.858 1.00 0.02 S ATOM 0 H CYS A 82 -9.569 2.162 8.820 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.251 1.015 7.365 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.294 -0.660 8.908 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.076 -1.303 7.824 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.985 -1.656 10.370 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.801 0.409 5.451 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.702 0.335 4.260 1.00 0.01 C ATOM 1295 C ARG A 83 -9.473 -1.000 3.556 1.00 0.01 C ATOM 1296 O ARG A 83 -8.358 -1.457 3.414 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.355 1.455 3.263 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.125 2.777 3.997 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.664 3.832 2.987 1.00 0.01 C ATOM 1300 NE ARG A 83 -7.478 3.323 2.240 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.110 3.902 1.128 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -7.777 4.925 0.676 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -6.074 3.459 0.469 1.00 0.01 N ATOM 0 H ARG A 83 -7.840 0.115 5.278 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.736 0.438 4.590 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.461 1.185 2.701 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.163 1.570 2.541 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.043 3.101 4.487 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.375 2.649 4.777 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.472 4.063 2.293 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.412 4.758 3.503 1.00 0.01 H new ATOM 0 HE ARG A 83 -6.955 2.524 2.597 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.586 5.274 1.190 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.490 5.378 -0.192 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -5.549 2.659 0.822 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -5.789 3.913 -0.399 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.524 -1.626 3.102 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.357 -2.921 2.400 1.00 0.01 C ATOM 1319 C ALA A 84 -9.878 -2.635 0.982 1.00 0.01 C ATOM 1320 O ALA A 84 -10.446 -1.834 0.269 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.698 -3.657 2.335 1.00 0.43 C ATOM 0 H ALA A 84 -11.485 -1.295 3.188 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.637 -3.541 2.934 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.567 -4.607 1.818 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.061 -3.841 3.346 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.422 -3.047 1.795 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.844 -3.305 0.567 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.327 -3.097 -0.818 1.00 0.01 C ATOM 1329 C VAL A 85 -9.041 -4.074 -1.751 1.00 0.01 C ATOM 1330 O VAL A 85 -9.032 -5.270 -1.532 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.817 -3.342 -0.857 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.273 -2.977 -2.238 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.130 -2.477 0.203 1.00 1.12 C ATOM 0 H VAL A 85 -8.331 -3.989 1.124 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.516 -2.072 -1.136 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.618 -4.394 -0.654 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.197 -3.152 -2.263 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.759 -3.593 -2.995 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.474 -1.925 -2.442 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.055 -2.652 0.174 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.332 -1.425 0.001 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.514 -2.737 1.189 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.662 -3.587 -2.791 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.375 -4.497 -3.733 1.00 0.01 C ATOM 1345 C HIS A 86 -9.400 -4.910 -4.832 1.00 0.01 C ATOM 1346 O HIS A 86 -8.686 -4.098 -5.386 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.569 -3.762 -4.352 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.236 -2.920 -3.299 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.278 -3.398 -2.521 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.022 -1.627 -2.886 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.650 -2.408 -1.688 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -12.916 -1.308 -1.870 1.00 1.71 N ATOM 0 H HIS A 86 -9.706 -2.596 -3.029 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.738 -5.378 -3.204 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.235 -3.134 -5.178 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.279 -4.480 -4.763 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -11.274 -0.960 -3.289 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.445 -2.493 -0.962 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -12.994 -0.422 -1.370 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.367 -6.179 -5.147 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.443 -6.677 -6.207 1.00 0.01 C ATOM 1362 C LEU A 87 -9.221 -6.827 -7.512 1.00 0.01 C ATOM 1363 O LEU A 87 -10.339 -7.304 -7.521 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.880 -8.055 -5.794 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.751 -8.148 -4.272 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.143 -9.501 -3.905 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.837 -7.034 -3.767 1.00 1.34 C ATOM 0 H LEU A 87 -9.946 -6.897 -4.711 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.622 -5.972 -6.339 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.536 -8.846 -6.158 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.906 -8.210 -6.257 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.735 -8.045 -3.815 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.048 -9.575 -2.822 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.789 -10.301 -4.268 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.158 -9.594 -4.363 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.746 -7.101 -2.683 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.852 -7.138 -4.221 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.260 -6.066 -4.036 1.00 1.34 H new ATOM 1379 N SER A 88 -8.627 -6.455 -8.618 1.00 0.01 N ATOM 1380 CA SER A 88 -9.298 -6.601 -9.942 1.00 0.01 C ATOM 1381 C SER A 88 -8.550 -7.660 -10.750 1.00 0.01 C ATOM 1382 O SER A 88 -7.365 -7.522 -10.980 1.00 0.01 O ATOM 1383 CB SER A 88 -9.258 -5.268 -10.689 1.00 0.81 C ATOM 1384 OG SER A 88 -7.954 -5.063 -11.214 1.00 1.08 O ATOM 0 H SER A 88 -7.691 -6.050 -8.658 1.00 0.01 H new ATOM 0 HA SER A 88 -10.337 -6.899 -9.802 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.991 -5.268 -11.495 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.524 -4.453 -10.016 1.00 0.81 H new ATOM 0 HG SER A 88 -7.362 -5.782 -10.910 1.00 1.08 H new ATOM 1390 N SER A 89 -9.209 -8.682 -11.233 1.00 0.01 N ATOM 1391 CA SER A 89 -8.496 -9.692 -12.079 1.00 0.01 C ATOM 1392 C SER A 89 -8.875 -9.381 -13.520 1.00 0.01 C ATOM 1393 O SER A 89 -9.272 -8.270 -13.807 1.00 0.01 O ATOM 1394 CB SER A 89 -8.961 -11.106 -11.721 1.00 0.43 C ATOM 1395 OG SER A 89 -8.142 -12.052 -12.395 1.00 1.26 O ATOM 0 H SER A 89 -10.201 -8.862 -11.081 1.00 0.01 H new ATOM 0 HA SER A 89 -7.418 -9.645 -11.924 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.903 -11.259 -10.643 1.00 0.43 H new ATOM 0 HB3 SER A 89 -10.004 -11.242 -12.006 1.00 0.43 H new ATOM 0 HG SER A 89 -8.435 -12.959 -12.167 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.810 -10.322 -14.431 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.225 -10.019 -15.836 1.00 0.00 C ATOM 1403 C GLY A 90 -8.259 -10.610 -16.862 1.00 0.00 C ATOM 1404 O GLY A 90 -8.681 -11.223 -17.822 1.00 0.01 O ATOM 0 H GLY A 90 -8.491 -11.277 -14.265 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.225 -10.415 -16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.281 -8.939 -15.972 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.972 -10.455 -16.688 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.047 -11.048 -17.691 1.00 0.00 C ATOM 1410 C GLY A 91 -4.578 -10.730 -17.390 1.00 0.00 C ATOM 1411 O GLY A 91 -3.951 -11.400 -16.594 1.00 0.01 O ATOM 0 H GLY A 91 -6.532 -9.956 -15.915 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.185 -12.129 -17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.301 -10.673 -18.682 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.018 -9.730 -18.032 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.573 -9.385 -17.797 1.00 2.31 C ATOM 1417 C GLN A 92 -2.427 -7.942 -17.308 1.00 1.91 C ATOM 1418 O GLN A 92 -2.810 -6.998 -17.968 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.803 -9.586 -19.105 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.300 -9.532 -18.824 1.00 2.86 C ATOM 1421 CD GLN A 92 0.460 -9.380 -20.143 1.00 3.70 C ATOM 1422 OE1 GLN A 92 1.445 -10.053 -20.370 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.043 -8.514 -21.027 1.00 4.43 N ATOM 0 H GLN A 92 -4.497 -9.137 -18.709 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.167 -10.037 -17.023 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.066 -10.545 -19.551 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.078 -8.814 -19.824 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.073 -8.696 -18.162 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.018 -10.440 -18.311 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -0.784 -7.949 -20.836 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.545 -8.403 -21.908 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.870 -7.786 -16.131 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.687 -6.421 -15.562 1.00 0.01 C ATOM 1434 C ALA A 93 -0.514 -5.736 -16.267 1.00 0.01 C ATOM 1435 O ALA A 93 0.557 -6.295 -16.396 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.378 -6.532 -14.066 1.00 2.99 C ATOM 0 H ALA A 93 -1.535 -8.548 -15.542 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.597 -5.839 -15.707 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.244 -5.535 -13.647 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.205 -7.030 -13.560 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.465 -7.111 -13.925 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.714 -4.527 -16.728 1.00 0.00 N ATOM 1443 CA LYS A 94 0.374 -3.780 -17.438 1.00 0.01 C ATOM 1444 C LYS A 94 0.473 -2.363 -16.865 1.00 0.01 C ATOM 1445 O LYS A 94 -0.529 -1.730 -16.586 1.00 0.01 O ATOM 1446 CB LYS A 94 0.017 -3.728 -18.927 1.00 2.49 C ATOM 1447 CG LYS A 94 1.184 -3.127 -19.720 1.00 3.43 C ATOM 1448 CD LYS A 94 1.012 -3.445 -21.209 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.248 -2.761 -21.748 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.447 -3.553 -21.360 1.00 6.36 N ATOM 0 H LYS A 94 -1.594 -4.018 -16.643 1.00 0.00 H new ATOM 0 HA LYS A 94 1.336 -4.275 -17.305 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.205 -4.731 -19.292 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.882 -3.129 -19.074 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.221 -2.048 -19.570 1.00 3.43 H new ATOM 0 HG3 LYS A 94 2.129 -3.532 -19.358 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.886 -3.106 -21.765 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.941 -4.523 -21.353 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.323 -1.749 -21.351 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.192 -2.674 -22.833 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.106 -3.602 -22.163 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.156 -4.515 -21.092 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -1.919 -3.096 -20.553 1.00 6.36 H new ATOM 1464 N ILE A 95 1.675 -1.861 -16.678 1.00 0.00 N ATOM 1465 CA ILE A 95 1.847 -0.479 -16.112 1.00 0.01 C ATOM 1466 C ILE A 95 2.759 0.343 -17.025 1.00 0.01 C ATOM 1467 O ILE A 95 3.716 -0.153 -17.590 1.00 0.01 O ATOM 1468 CB ILE A 95 2.466 -0.569 -14.712 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.750 0.842 -14.193 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.772 -1.360 -14.768 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.044 0.785 -12.691 1.00 1.09 C ATOM 0 H ILE A 95 2.545 -2.349 -16.893 1.00 0.00 H new ATOM 0 HA ILE A 95 0.873 0.006 -16.046 1.00 0.01 H new ATOM 0 HB ILE A 95 1.769 -1.076 -14.044 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.599 1.272 -14.724 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.894 1.490 -14.382 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.205 -1.419 -13.769 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.573 -2.366 -15.137 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.472 -0.860 -15.438 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.246 1.790 -12.321 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.182 0.372 -12.167 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.913 0.152 -12.514 1.00 1.09 H new ATOM 1483 N GLN A 96 2.477 1.619 -17.131 1.00 0.01 N ATOM 1484 CA GLN A 96 3.314 2.544 -17.952 1.00 0.01 C ATOM 1485 C GLN A 96 3.790 3.682 -17.043 1.00 0.01 C ATOM 1486 O GLN A 96 3.007 4.247 -16.307 1.00 0.00 O ATOM 1487 CB GLN A 96 2.490 3.106 -19.116 1.00 0.53 C ATOM 1488 CG GLN A 96 1.077 3.442 -18.638 1.00 0.82 C ATOM 1489 CD GLN A 96 0.258 2.157 -18.492 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.066 1.751 -17.393 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.092 1.496 -19.561 1.00 2.05 N ATOM 0 H GLN A 96 1.683 2.066 -16.672 1.00 0.01 H new ATOM 0 HA GLN A 96 4.169 2.012 -18.369 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.970 3.999 -19.515 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.446 2.379 -19.927 1.00 0.53 H new ATOM 0 HG2 GLN A 96 1.122 3.966 -17.683 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.593 4.113 -19.348 1.00 0.82 H new ATOM 0 HE21 GLN A 96 0.180 1.837 -20.483 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.638 0.639 -19.475 1.00 2.05 H new ATOM 1500 N VAL A 97 5.053 4.027 -17.073 1.00 0.01 N ATOM 1501 CA VAL A 97 5.564 5.136 -16.196 1.00 0.01 C ATOM 1502 C VAL A 97 6.270 6.186 -17.056 1.00 0.01 C ATOM 1503 O VAL A 97 6.849 5.879 -18.079 1.00 0.01 O ATOM 1504 CB VAL A 97 6.557 4.562 -15.183 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.819 3.649 -14.204 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.625 3.757 -15.925 1.00 1.03 C ATOM 0 H VAL A 97 5.757 3.590 -17.667 1.00 0.01 H new ATOM 0 HA VAL A 97 4.728 5.599 -15.671 1.00 0.01 H new ATOM 0 HB VAL A 97 7.028 5.376 -14.632 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.527 3.241 -13.483 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.055 4.221 -13.678 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.348 2.833 -14.752 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.335 3.346 -15.207 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.151 2.943 -16.474 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.151 4.408 -16.624 1.00 1.03 H new ATOM 1516 N PHE A 98 6.197 7.436 -16.651 1.00 0.01 N ATOM 1517 CA PHE A 98 6.836 8.540 -17.447 1.00 0.01 C ATOM 1518 C PHE A 98 7.913 9.259 -16.626 1.00 0.01 C ATOM 1519 O PHE A 98 7.790 9.455 -15.433 1.00 0.01 O ATOM 1520 CB PHE A 98 5.759 9.541 -17.861 1.00 0.25 C ATOM 1521 CG PHE A 98 4.859 8.903 -18.893 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.941 7.920 -18.507 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.936 9.299 -20.235 1.00 0.58 C ATOM 1524 CE1 PHE A 98 3.101 7.332 -19.460 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.095 8.712 -21.188 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.178 7.729 -20.801 1.00 0.69 C ATOM 0 H PHE A 98 5.721 7.740 -15.801 1.00 0.01 H new ATOM 0 HA PHE A 98 7.310 8.107 -18.328 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.176 9.847 -16.992 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.219 10.441 -18.269 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.880 7.615 -17.473 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.644 10.057 -20.534 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.394 6.572 -19.161 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.154 9.018 -22.222 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.529 7.276 -21.536 1.00 0.69 H new ATOM 1536 N GLU A 99 8.987 9.614 -17.280 1.00 0.01 N ATOM 1537 CA GLU A 99 10.122 10.286 -16.581 1.00 0.01 C ATOM 1538 C GLU A 99 9.740 11.689 -16.091 1.00 0.01 C ATOM 1539 O GLU A 99 10.263 12.153 -15.096 1.00 0.01 O ATOM 1540 CB GLU A 99 11.313 10.397 -17.536 1.00 0.01 C ATOM 1541 CG GLU A 99 12.469 11.110 -16.829 1.00 0.01 C ATOM 1542 CD GLU A 99 13.760 10.903 -17.622 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.698 10.945 -18.839 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.790 10.706 -16.998 1.00 0.02 O ATOM 0 H GLU A 99 9.128 9.466 -18.279 1.00 0.01 H new ATOM 0 HA GLU A 99 10.382 9.682 -15.712 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.627 9.405 -17.860 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.025 10.948 -18.431 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.252 12.174 -16.739 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.585 10.721 -15.817 1.00 0.01 H new ATOM 1551 N LYS A 100 8.846 12.377 -16.768 1.00 0.01 N ATOM 1552 CA LYS A 100 8.452 13.760 -16.324 1.00 0.01 C ATOM 1553 C LYS A 100 6.975 13.789 -15.929 1.00 0.01 C ATOM 1554 O LYS A 100 6.223 12.871 -16.201 1.00 0.01 O ATOM 1555 CB LYS A 100 8.696 14.761 -17.453 1.00 0.94 C ATOM 1556 CG LYS A 100 10.179 14.757 -17.829 1.00 1.63 C ATOM 1557 CD LYS A 100 10.401 15.646 -19.054 1.00 2.19 C ATOM 1558 CE LYS A 100 11.900 15.750 -19.345 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.108 16.405 -20.667 1.00 3.18 N ATOM 0 H LYS A 100 8.372 12.043 -17.607 1.00 0.01 H new ATOM 0 HA LYS A 100 9.058 14.033 -15.460 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.090 14.501 -18.321 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.392 15.760 -17.139 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.777 15.118 -16.992 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.508 13.740 -18.041 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.880 15.231 -19.917 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.984 16.638 -18.877 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.394 16.325 -18.561 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.351 14.757 -19.345 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.127 16.475 -20.863 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.650 15.840 -21.410 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.692 17.358 -20.651 1.00 3.18 H new ATOM 1573 N GLY A 101 6.563 14.852 -15.293 1.00 0.01 N ATOM 1574 CA GLY A 101 5.143 14.983 -14.848 1.00 0.01 C ATOM 1575 C GLY A 101 4.200 15.091 -16.048 1.00 0.00 C ATOM 1576 O GLY A 101 4.603 15.375 -17.158 1.00 0.01 O ATOM 0 H GLY A 101 7.158 15.647 -15.059 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.867 14.121 -14.241 1.00 0.01 H new ATOM 0 HA3 GLY A 101 5.036 15.865 -14.216 1.00 0.01 H new ATOM 1580 N ASP A 102 2.932 14.884 -15.807 1.00 0.01 N ATOM 1581 CA ASP A 102 1.916 14.983 -16.891 1.00 0.00 C ATOM 1582 C ASP A 102 2.242 14.030 -18.038 1.00 0.00 C ATOM 1583 O ASP A 102 2.032 14.328 -19.197 1.00 0.01 O ATOM 1584 CB ASP A 102 1.865 16.422 -17.411 1.00 0.01 C ATOM 1585 CG ASP A 102 1.701 17.384 -16.232 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.571 17.611 -15.831 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.708 17.877 -15.751 1.00 0.01 O ATOM 0 H ASP A 102 2.554 14.647 -14.890 1.00 0.01 H new ATOM 0 HA ASP A 102 0.945 14.703 -16.482 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.778 16.654 -17.960 1.00 0.01 H new ATOM 0 HB3 ASP A 102 1.035 16.539 -18.108 1.00 0.01 H new ATOM 1592 N PHE A 103 2.718 12.861 -17.708 1.00 0.01 N ATOM 1593 CA PHE A 103 3.026 11.842 -18.746 1.00 0.01 C ATOM 1594 C PHE A 103 3.931 12.423 -19.833 1.00 0.00 C ATOM 1595 O PHE A 103 3.613 12.366 -21.003 1.00 0.01 O ATOM 1596 CB PHE A 103 1.716 11.355 -19.377 1.00 0.01 C ATOM 1597 CG PHE A 103 0.663 11.204 -18.302 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.889 10.346 -17.219 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.541 11.918 -18.390 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.085 10.204 -16.223 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.513 11.777 -17.394 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.287 10.918 -16.311 1.00 0.01 C ATOM 0 H PHE A 103 2.908 12.567 -16.750 1.00 0.01 H new ATOM 0 HA PHE A 103 3.549 11.010 -18.274 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.379 12.064 -20.134 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.875 10.402 -19.881 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.815 9.794 -17.152 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.718 12.577 -19.227 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.091 9.544 -15.387 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.438 12.331 -17.460 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.039 10.806 -15.544 1.00 0.01 H new ATOM 1612 N ASN A 104 5.065 12.960 -19.458 1.00 0.00 N ATOM 1613 CA ASN A 104 6.015 13.525 -20.474 1.00 0.01 C ATOM 1614 C ASN A 104 7.401 12.931 -20.225 1.00 0.01 C ATOM 1615 O ASN A 104 7.657 12.346 -19.191 1.00 0.01 O ATOM 1616 CB ASN A 104 6.078 15.047 -20.331 1.00 1.68 C ATOM 1617 CG ASN A 104 4.819 15.668 -20.937 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.773 15.051 -20.959 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.875 16.873 -21.433 1.00 2.38 N ATOM 0 H ASN A 104 5.378 13.033 -18.490 1.00 0.00 H new ATOM 0 HA ASN A 104 5.675 13.277 -21.480 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.162 15.321 -19.279 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.965 15.434 -20.833 1.00 1.68 H new ATOM 0 HD21 ASN A 104 4.041 17.297 -21.839 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.753 17.392 -21.415 1.00 2.38 H new ATOM 1626 N GLY A 105 8.302 13.060 -21.164 1.00 0.01 N ATOM 1627 CA GLY A 105 9.670 12.491 -20.973 1.00 0.01 C ATOM 1628 C GLY A 105 9.712 11.078 -21.548 1.00 0.01 C ATOM 1629 O GLY A 105 8.844 10.684 -22.302 1.00 0.01 O ATOM 0 H GLY A 105 8.150 13.534 -22.054 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.410 13.120 -21.468 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.924 12.473 -19.913 1.00 0.01 H new ATOM 1633 N GLN A 106 10.700 10.303 -21.198 1.00 0.01 N ATOM 1634 CA GLN A 106 10.771 8.913 -21.726 1.00 0.01 C ATOM 1635 C GLN A 106 9.730 8.061 -21.001 1.00 0.01 C ATOM 1636 O GLN A 106 9.469 8.239 -19.827 1.00 0.01 O ATOM 1637 CB GLN A 106 12.174 8.348 -21.473 1.00 0.01 C ATOM 1638 CG GLN A 106 12.312 6.977 -22.140 1.00 0.01 C ATOM 1639 CD GLN A 106 12.260 7.138 -23.661 1.00 0.01 C ATOM 1640 OE1 GLN A 106 11.201 7.082 -24.254 1.00 0.01 O ATOM 1641 NE2 GLN A 106 13.368 7.339 -24.322 1.00 0.01 N ATOM 0 H GLN A 106 11.459 10.571 -20.571 1.00 0.01 H new ATOM 0 HA GLN A 106 10.571 8.905 -22.797 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.927 9.031 -21.867 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.352 8.260 -20.401 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.252 6.511 -21.846 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.511 6.317 -21.807 1.00 0.01 H new ATOM 0 HE21 GLN A 106 14.257 7.386 -23.825 1.00 0.01 H new ATOM 0 HE22 GLN A 106 13.344 7.449 -25.336 1.00 0.01 H new ATOM 1650 N MET A 107 9.124 7.145 -21.714 1.00 0.01 N ATOM 1651 CA MET A 107 8.078 6.264 -21.106 1.00 0.01 C ATOM 1652 C MET A 107 8.553 4.813 -21.141 1.00 0.01 C ATOM 1653 O MET A 107 9.161 4.368 -22.093 1.00 0.01 O ATOM 1654 CB MET A 107 6.782 6.379 -21.916 1.00 0.00 C ATOM 1655 CG MET A 107 5.711 5.446 -21.334 1.00 0.01 C ATOM 1656 SD MET A 107 5.933 3.777 -21.998 1.00 0.01 S ATOM 1657 CE MET A 107 4.916 3.983 -23.479 1.00 0.01 C ATOM 0 H MET A 107 9.311 6.968 -22.701 1.00 0.01 H new ATOM 0 HA MET A 107 7.901 6.572 -20.076 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.425 7.409 -21.901 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.972 6.122 -22.958 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.782 5.428 -20.246 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.717 5.818 -21.582 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.912 3.054 -24.050 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.896 4.234 -23.188 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.326 4.785 -24.093 1.00 0.01 H new ATOM 1667 N TYR A 108 8.251 4.070 -20.110 1.00 0.01 N ATOM 1668 CA TYR A 108 8.639 2.627 -20.051 1.00 0.00 C ATOM 1669 C TYR A 108 7.408 1.816 -19.631 1.00 0.01 C ATOM 1670 O TYR A 108 6.677 2.193 -18.734 1.00 0.01 O ATOM 1671 CB TYR A 108 9.752 2.430 -19.023 1.00 0.54 C ATOM 1672 CG TYR A 108 11.039 3.015 -19.551 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.815 2.290 -20.463 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.457 4.283 -19.130 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.009 2.832 -20.953 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.650 4.825 -19.620 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.425 4.100 -20.532 1.00 1.82 C ATOM 1678 OH TYR A 108 14.601 4.637 -21.015 1.00 2.48 O ATOM 0 H TYR A 108 7.743 4.406 -19.292 1.00 0.01 H new ATOM 0 HA TYR A 108 8.998 2.297 -21.026 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.481 2.910 -18.083 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.883 1.369 -18.813 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.492 1.312 -20.789 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.858 4.843 -18.427 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.609 2.272 -21.655 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.973 5.803 -19.294 1.00 1.51 H new ATOM 0 HH TYR A 108 14.741 5.524 -20.622 1.00 2.48 H new ATOM 1688 N GLU A 109 7.169 0.713 -20.294 1.00 0.01 N ATOM 1689 CA GLU A 109 5.975 -0.142 -19.984 1.00 0.01 C ATOM 1690 C GLU A 109 6.426 -1.553 -19.606 1.00 0.01 C ATOM 1691 O GLU A 109 7.280 -2.133 -20.248 1.00 0.01 O ATOM 1692 CB GLU A 109 5.088 -0.194 -21.231 1.00 0.01 C ATOM 1693 CG GLU A 109 3.781 -0.923 -20.906 1.00 0.01 C ATOM 1694 CD GLU A 109 2.756 -0.649 -22.009 1.00 0.00 C ATOM 1695 OE1 GLU A 109 2.960 -1.127 -23.112 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.784 0.035 -21.731 1.00 0.00 O ATOM 0 H GLU A 109 7.758 0.361 -21.049 1.00 0.01 H new ATOM 0 HA GLU A 109 5.421 0.278 -19.145 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.875 0.817 -21.580 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.610 -0.706 -22.039 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.961 -1.995 -20.821 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.394 -0.587 -19.944 1.00 0.01 H new ATOM 1703 N THR A 110 5.863 -2.116 -18.564 1.00 0.01 N ATOM 1704 CA THR A 110 6.272 -3.493 -18.151 1.00 0.00 C ATOM 1705 C THR A 110 5.101 -4.228 -17.494 1.00 0.01 C ATOM 1706 O THR A 110 4.198 -3.638 -16.933 1.00 0.01 O ATOM 1707 CB THR A 110 7.440 -3.417 -17.166 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.706 -4.715 -16.653 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.086 -2.476 -16.015 1.00 1.69 C ATOM 0 H THR A 110 5.143 -1.684 -17.986 1.00 0.01 H new ATOM 0 HA THR A 110 6.579 -4.041 -19.041 1.00 0.00 H new ATOM 0 HB THR A 110 8.323 -3.037 -17.680 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.455 -4.670 -16.023 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.921 -2.425 -15.316 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.882 -1.480 -16.409 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.202 -2.850 -15.498 1.00 1.69 H new ATOM 1717 N THR A 111 5.127 -5.532 -17.579 1.00 0.00 N ATOM 1718 CA THR A 111 4.042 -6.377 -16.989 1.00 0.01 C ATOM 1719 C THR A 111 4.580 -7.130 -15.766 1.00 0.01 C ATOM 1720 O THR A 111 3.933 -8.025 -15.256 1.00 0.01 O ATOM 1721 CB THR A 111 3.569 -7.387 -18.037 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.687 -8.115 -18.525 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.892 -6.654 -19.196 1.00 0.01 C ATOM 0 H THR A 111 5.868 -6.059 -18.041 1.00 0.00 H new ATOM 0 HA THR A 111 3.211 -5.741 -16.684 1.00 0.01 H new ATOM 0 HB THR A 111 2.854 -8.072 -17.581 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.749 -8.973 -18.056 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.557 -7.378 -19.939 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.034 -6.095 -18.822 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.601 -5.965 -19.655 1.00 0.01 H new ATOM 1731 N GLU A 112 5.764 -6.796 -15.306 1.00 0.01 N ATOM 1732 CA GLU A 112 6.362 -7.518 -14.130 1.00 0.01 C ATOM 1733 C GLU A 112 6.647 -6.551 -12.972 1.00 0.01 C ATOM 1734 O GLU A 112 6.710 -5.350 -13.145 1.00 0.01 O ATOM 1735 CB GLU A 112 7.680 -8.169 -14.566 1.00 0.85 C ATOM 1736 CG GLU A 112 7.384 -9.384 -15.447 1.00 1.61 C ATOM 1737 CD GLU A 112 6.620 -8.940 -16.695 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.896 -7.856 -17.180 1.00 3.07 O ATOM 1739 OE2 GLU A 112 5.773 -9.695 -17.144 1.00 3.21 O ATOM 0 H GLU A 112 6.345 -6.053 -15.694 1.00 0.01 H new ATOM 0 HA GLU A 112 5.651 -8.270 -13.788 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.289 -7.450 -15.113 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.255 -8.473 -13.691 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.315 -9.873 -15.733 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.798 -10.115 -14.890 1.00 1.61 H new ATOM 1746 N ASP A 113 6.842 -7.083 -11.794 1.00 0.01 N ATOM 1747 CA ASP A 113 7.153 -6.228 -10.609 1.00 0.01 C ATOM 1748 C ASP A 113 8.514 -5.569 -10.837 1.00 0.00 C ATOM 1749 O ASP A 113 9.353 -6.092 -11.544 1.00 0.01 O ATOM 1750 CB ASP A 113 7.228 -7.106 -9.358 1.00 0.01 C ATOM 1751 CG ASP A 113 5.815 -7.514 -8.932 1.00 0.01 C ATOM 1752 OD1 ASP A 113 5.181 -8.242 -9.678 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.393 -7.096 -7.868 1.00 0.00 O ATOM 0 H ASP A 113 6.799 -8.083 -11.600 1.00 0.01 H new ATOM 0 HA ASP A 113 6.380 -5.471 -10.477 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.828 -7.993 -9.559 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.720 -6.564 -8.550 1.00 0.01 H new ATOM 1758 N CYS A 114 8.751 -4.434 -10.218 1.00 0.01 N ATOM 1759 CA CYS A 114 10.071 -3.742 -10.360 1.00 0.01 C ATOM 1760 C CYS A 114 10.680 -3.546 -8.955 1.00 0.01 C ATOM 1761 O CYS A 114 10.176 -2.741 -8.191 1.00 0.01 O ATOM 1762 CB CYS A 114 9.835 -2.366 -10.985 1.00 0.01 C ATOM 1763 SG CYS A 114 11.344 -1.377 -10.861 1.00 0.01 S ATOM 0 H CYS A 114 8.080 -3.956 -9.617 1.00 0.01 H new ATOM 0 HA CYS A 114 10.742 -4.332 -10.984 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.544 -2.475 -12.030 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.014 -1.860 -10.477 1.00 0.01 H new ATOM 0 HG CYS A 114 12.015 -1.468 -11.971 1.00 0.01 H new ATOM 1769 N PRO A 115 11.752 -4.242 -8.596 1.00 0.01 N ATOM 1770 CA PRO A 115 12.361 -4.052 -7.247 1.00 0.01 C ATOM 1771 C PRO A 115 13.186 -2.761 -7.175 1.00 0.01 C ATOM 1772 O PRO A 115 13.269 -2.134 -6.138 1.00 0.01 O ATOM 1773 CB PRO A 115 13.253 -5.298 -7.114 1.00 0.01 C ATOM 1774 CG PRO A 115 13.484 -5.860 -8.528 1.00 0.01 C ATOM 1775 CD PRO A 115 12.422 -5.254 -9.467 1.00 0.01 C ATOM 0 HA PRO A 115 11.626 -3.953 -6.449 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.203 -5.040 -6.645 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.776 -6.044 -6.479 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.486 -5.611 -8.877 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.410 -6.947 -8.522 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.874 -4.795 -10.347 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.721 -6.008 -9.825 1.00 0.01 H new ATOM 1783 N SER A 116 13.802 -2.366 -8.260 1.00 0.01 N ATOM 1784 CA SER A 116 14.627 -1.118 -8.250 1.00 0.02 C ATOM 1785 C SER A 116 14.406 -0.371 -9.563 1.00 0.01 C ATOM 1786 O SER A 116 14.839 -0.789 -10.620 1.00 0.00 O ATOM 1787 CB SER A 116 16.104 -1.486 -8.106 1.00 0.01 C ATOM 1788 OG SER A 116 16.359 -1.888 -6.766 1.00 0.01 O ATOM 0 H SER A 116 13.770 -2.854 -9.155 1.00 0.01 H new ATOM 0 HA SER A 116 14.335 -0.484 -7.413 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.359 -2.292 -8.794 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.730 -0.633 -8.368 1.00 0.01 H new ATOM 0 HG SER A 116 17.305 -2.126 -6.670 1.00 0.01 H new ATOM 1794 N ILE A 117 13.701 0.724 -9.497 1.00 0.01 N ATOM 1795 CA ILE A 117 13.398 1.513 -10.721 1.00 0.01 C ATOM 1796 C ILE A 117 14.682 2.065 -11.343 1.00 0.01 C ATOM 1797 O ILE A 117 14.814 2.110 -12.548 1.00 0.00 O ATOM 1798 CB ILE A 117 12.456 2.662 -10.333 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.043 2.096 -10.132 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.429 3.740 -11.425 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.136 3.164 -9.521 1.00 1.83 C ATOM 0 H ILE A 117 13.317 1.110 -8.634 1.00 0.01 H new ATOM 0 HA ILE A 117 12.922 0.872 -11.463 1.00 0.01 H new ATOM 0 HB ILE A 117 12.815 3.120 -9.411 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.636 1.764 -11.087 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.081 1.223 -9.481 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.755 4.543 -11.127 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.433 4.142 -11.565 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.080 3.302 -12.360 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.135 2.755 -9.381 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.539 3.475 -8.557 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.086 4.024 -10.188 1.00 1.83 H new ATOM 1813 N MET A 118 15.609 2.515 -10.545 1.00 0.02 N ATOM 1814 CA MET A 118 16.848 3.090 -11.130 1.00 0.01 C ATOM 1815 C MET A 118 17.654 1.998 -11.826 1.00 0.01 C ATOM 1816 O MET A 118 18.241 2.224 -12.859 1.00 0.02 O ATOM 1817 CB MET A 118 17.695 3.754 -10.040 1.00 0.24 C ATOM 1818 CG MET A 118 18.928 4.417 -10.663 1.00 0.63 C ATOM 1819 SD MET A 118 20.211 3.171 -10.941 1.00 1.20 S ATOM 1820 CE MET A 118 21.418 4.261 -11.735 1.00 1.34 C ATOM 0 H MET A 118 15.563 2.510 -9.526 1.00 0.02 H new ATOM 0 HA MET A 118 16.568 3.846 -11.863 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.101 4.498 -9.510 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.004 3.011 -9.305 1.00 0.24 H new ATOM 0 HG2 MET A 118 18.660 4.894 -11.606 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.304 5.200 -10.005 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.308 3.689 -11.997 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.983 4.689 -12.638 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.691 5.063 -11.049 1.00 1.34 H new ATOM 1830 N GLU A 119 17.697 0.817 -11.291 1.00 0.01 N ATOM 1831 CA GLU A 119 18.482 -0.252 -11.962 1.00 0.02 C ATOM 1832 C GLU A 119 17.782 -0.673 -13.257 1.00 0.02 C ATOM 1833 O GLU A 119 18.417 -0.980 -14.246 1.00 0.01 O ATOM 1834 CB GLU A 119 18.598 -1.459 -11.030 1.00 0.30 C ATOM 1835 CG GLU A 119 19.381 -1.064 -9.776 1.00 0.99 C ATOM 1836 CD GLU A 119 20.846 -0.824 -10.141 1.00 1.69 C ATOM 1837 OE1 GLU A 119 21.451 -1.723 -10.702 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.338 0.255 -9.855 1.00 2.07 O ATOM 0 H GLU A 119 17.229 0.544 -10.427 1.00 0.01 H new ATOM 0 HA GLU A 119 19.477 0.125 -12.197 1.00 0.02 H new ATOM 0 HB2 GLU A 119 17.605 -1.815 -10.754 1.00 0.30 H new ATOM 0 HB3 GLU A 119 19.101 -2.280 -11.542 1.00 0.30 H new ATOM 0 HG2 GLU A 119 18.953 -0.163 -9.336 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.307 -1.851 -9.026 1.00 0.99 H new ATOM 1845 N GLN A 120 16.480 -0.748 -13.239 1.00 0.00 N ATOM 1846 CA GLN A 120 15.737 -1.217 -14.447 1.00 0.01 C ATOM 1847 C GLN A 120 15.568 -0.113 -15.496 1.00 0.01 C ATOM 1848 O GLN A 120 15.739 -0.346 -16.677 1.00 0.01 O ATOM 1849 CB GLN A 120 14.352 -1.706 -14.018 1.00 0.52 C ATOM 1850 CG GLN A 120 13.717 -2.514 -15.150 1.00 1.07 C ATOM 1851 CD GLN A 120 12.240 -2.755 -14.839 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.771 -2.430 -13.765 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.478 -3.313 -15.739 1.00 2.08 N ATOM 0 H GLN A 120 15.896 -0.505 -12.439 1.00 0.00 H new ATOM 0 HA GLN A 120 16.318 -2.019 -14.901 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.434 -2.321 -13.122 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.718 -0.856 -13.765 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.818 -1.979 -16.094 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.235 -3.466 -15.266 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.870 -3.586 -16.640 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.491 -3.476 -15.541 1.00 2.08 H new ATOM 1862 N PHE A 121 15.153 1.061 -15.083 1.00 0.02 N ATOM 1863 CA PHE A 121 14.876 2.161 -16.067 1.00 0.01 C ATOM 1864 C PHE A 121 15.882 3.309 -15.967 1.00 0.01 C ATOM 1865 O PHE A 121 15.809 4.265 -16.713 1.00 0.01 O ATOM 1866 CB PHE A 121 13.463 2.684 -15.802 1.00 0.01 C ATOM 1867 CG PHE A 121 12.491 1.530 -15.908 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.212 0.966 -17.158 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.872 1.020 -14.757 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.317 -0.105 -17.258 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.977 -0.053 -14.860 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.699 -0.615 -16.111 1.00 0.01 C ATOM 0 H PHE A 121 14.993 1.307 -14.106 1.00 0.02 H new ATOM 0 HA PHE A 121 14.968 1.755 -17.075 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.407 3.136 -14.812 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.207 3.461 -16.522 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.687 1.357 -18.045 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.085 1.454 -13.792 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.103 -0.539 -18.223 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.502 -0.446 -13.974 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.008 -1.441 -16.191 1.00 0.01 H new ATOM 1882 N HIS A 122 16.821 3.234 -15.068 1.00 0.01 N ATOM 1883 CA HIS A 122 17.818 4.333 -14.944 1.00 0.01 C ATOM 1884 C HIS A 122 17.107 5.640 -14.575 1.00 0.01 C ATOM 1885 O HIS A 122 17.517 6.710 -14.977 1.00 0.02 O ATOM 1886 CB HIS A 122 18.566 4.487 -16.276 1.00 0.01 C ATOM 1887 CG HIS A 122 18.773 3.131 -16.893 1.00 0.01 C ATOM 1888 ND1 HIS A 122 17.856 2.568 -17.767 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.787 2.215 -16.772 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.331 1.364 -18.133 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.507 1.099 -17.555 1.00 0.01 N ATOM 0 H HIS A 122 16.942 2.461 -14.414 1.00 0.01 H new ATOM 0 HA HIS A 122 18.534 4.095 -14.157 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.997 5.124 -16.953 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.527 4.974 -16.112 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.669 2.341 -16.162 1.00 0.01 H new ATOM 0 HE1 HIS A 122 17.824 0.693 -18.811 1.00 0.00 H new ATOM 0 HE2 HIS A 122 20.076 0.260 -17.664 1.00 0.01 H new ATOM 1899 N LEU A 123 16.042 5.555 -13.807 1.00 0.01 N ATOM 1900 CA LEU A 123 15.290 6.791 -13.395 1.00 0.01 C ATOM 1901 C LEU A 123 15.419 6.979 -11.883 1.00 0.02 C ATOM 1902 O LEU A 123 15.301 6.043 -11.119 1.00 0.01 O ATOM 1903 CB LEU A 123 13.811 6.640 -13.765 1.00 0.01 C ATOM 1904 CG LEU A 123 13.682 6.208 -15.227 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.202 6.068 -15.586 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.337 7.257 -16.137 1.00 0.01 C ATOM 0 H LEU A 123 15.660 4.681 -13.446 1.00 0.01 H new ATOM 0 HA LEU A 123 15.704 7.658 -13.910 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.338 5.903 -13.116 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.290 7.584 -13.608 1.00 0.01 H new ATOM 0 HG LEU A 123 14.183 5.250 -15.367 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.108 5.760 -16.627 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.741 5.318 -14.943 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.701 7.026 -15.444 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.243 6.946 -17.177 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.841 8.218 -16.000 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.392 7.353 -15.881 1.00 0.01 H new ATOM 1918 N ARG A 124 15.680 8.184 -11.445 1.00 0.01 N ATOM 1919 CA ARG A 124 15.840 8.435 -9.981 1.00 0.00 C ATOM 1920 C ARG A 124 14.497 8.798 -9.336 1.00 0.01 C ATOM 1921 O ARG A 124 14.324 8.669 -8.140 1.00 0.01 O ATOM 1922 CB ARG A 124 16.819 9.596 -9.777 1.00 1.67 C ATOM 1923 CG ARG A 124 16.480 10.727 -10.756 1.00 1.98 C ATOM 1924 CD ARG A 124 17.139 12.029 -10.293 1.00 2.92 C ATOM 1925 NE ARG A 124 16.353 12.608 -9.167 1.00 3.54 N ATOM 1926 CZ ARG A 124 16.872 13.549 -8.424 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.080 13.981 -8.664 1.00 5.25 N ATOM 1928 NH2 ARG A 124 16.180 14.057 -7.440 1.00 5.32 N ATOM 0 H ARG A 124 15.789 9.006 -12.039 1.00 0.01 H new ATOM 0 HA ARG A 124 16.218 7.526 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.761 9.959 -8.751 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.842 9.256 -9.937 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.826 10.470 -11.757 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.399 10.857 -10.816 1.00 1.98 H new ATOM 0 HD2 ARG A 124 18.164 11.838 -9.975 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.189 12.738 -11.119 1.00 2.92 H new ATOM 0 HE ARG A 124 15.410 12.270 -8.976 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.620 13.584 -9.433 1.00 5.25 H new ATOM 0 HH12 ARG A 124 18.484 14.716 -8.083 1.00 5.25 H new ATOM 0 HH21 ARG A 124 15.236 13.719 -7.253 1.00 5.32 H new ATOM 0 HH22 ARG A 124 16.583 14.792 -6.859 1.00 5.32 H new ATOM 1942 N GLU A 125 13.551 9.269 -10.106 1.00 0.01 N ATOM 1943 CA GLU A 125 12.232 9.662 -9.520 1.00 0.01 C ATOM 1944 C GLU A 125 11.120 9.426 -10.545 1.00 0.01 C ATOM 1945 O GLU A 125 11.371 9.296 -11.727 1.00 0.01 O ATOM 1946 CB GLU A 125 12.261 11.152 -9.163 1.00 0.01 C ATOM 1947 CG GLU A 125 13.161 11.371 -7.944 1.00 0.01 C ATOM 1948 CD GLU A 125 13.014 12.812 -7.454 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.665 13.660 -8.260 1.00 0.01 O ATOM 1950 OE2 GLU A 125 13.252 13.045 -6.280 1.00 0.02 O ATOM 0 H GLU A 125 13.633 9.399 -11.114 1.00 0.01 H new ATOM 0 HA GLU A 125 12.044 9.064 -8.628 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.630 11.732 -10.009 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.252 11.505 -8.951 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.890 10.676 -7.149 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.200 11.168 -8.204 1.00 0.01 H new ATOM 1957 N ILE A 126 9.886 9.410 -10.103 1.00 0.01 N ATOM 1958 CA ILE A 126 8.730 9.228 -11.039 1.00 0.01 C ATOM 1959 C ILE A 126 7.739 10.358 -10.759 1.00 0.01 C ATOM 1960 O ILE A 126 7.353 10.570 -9.626 1.00 0.01 O ATOM 1961 CB ILE A 126 8.041 7.886 -10.762 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.069 6.739 -10.792 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.947 7.635 -11.808 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.767 6.630 -12.163 1.00 1.70 C ATOM 0 H ILE A 126 9.627 9.516 -9.122 1.00 0.01 H new ATOM 0 HA ILE A 126 9.071 9.243 -12.074 1.00 0.01 H new ATOM 0 HB ILE A 126 7.588 7.923 -9.771 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.817 6.901 -10.016 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.570 5.798 -10.563 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.462 6.680 -11.605 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.208 8.435 -11.761 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.393 7.611 -12.802 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.484 5.809 -12.142 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.022 6.442 -12.936 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.289 7.562 -12.381 1.00 1.70 H new ATOM 1976 N HIS A 127 7.365 11.121 -11.762 1.00 0.01 N ATOM 1977 CA HIS A 127 6.444 12.284 -11.520 1.00 0.01 C ATOM 1978 C HIS A 127 5.038 12.046 -12.077 1.00 0.01 C ATOM 1979 O HIS A 127 4.107 12.742 -11.728 1.00 0.01 O ATOM 1980 CB HIS A 127 7.038 13.541 -12.160 1.00 0.02 C ATOM 1981 CG HIS A 127 8.513 13.592 -11.883 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.366 12.561 -12.246 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.303 14.539 -11.282 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.608 12.910 -11.863 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.625 14.107 -11.270 1.00 0.02 N ATOM 0 H HIS A 127 7.655 10.991 -12.731 1.00 0.01 H new ATOM 0 HA HIS A 127 6.350 12.407 -10.441 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.859 13.535 -13.235 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.551 14.431 -11.761 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.952 15.478 -10.879 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.484 12.297 -12.016 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.434 14.599 -10.890 1.00 0.02 H new ATOM 1993 N SER A 128 4.855 11.059 -12.909 1.00 0.01 N ATOM 1994 CA SER A 128 3.487 10.784 -13.436 1.00 0.01 C ATOM 1995 C SER A 128 3.436 9.355 -13.969 1.00 0.01 C ATOM 1996 O SER A 128 4.438 8.790 -14.368 1.00 0.01 O ATOM 1997 CB SER A 128 3.163 11.759 -14.568 1.00 0.01 C ATOM 1998 OG SER A 128 4.252 11.800 -15.477 1.00 0.01 O ATOM 0 H SER A 128 5.587 10.434 -13.246 1.00 0.01 H new ATOM 0 HA SER A 128 2.757 10.908 -12.636 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.255 11.447 -15.084 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.974 12.754 -14.164 1.00 0.01 H new ATOM 0 HG SER A 128 5.005 12.273 -15.065 1.00 0.01 H new ATOM 2004 N CYS A 129 2.274 8.765 -13.976 1.00 0.01 N ATOM 2005 CA CYS A 129 2.145 7.371 -14.476 1.00 0.01 C ATOM 2006 C CYS A 129 0.660 7.076 -14.683 1.00 0.00 C ATOM 2007 O CYS A 129 -0.165 7.479 -13.887 1.00 0.01 O ATOM 2008 CB CYS A 129 2.730 6.402 -13.443 1.00 0.69 C ATOM 2009 SG CYS A 129 2.167 4.716 -13.788 1.00 1.22 S ATOM 0 H CYS A 129 1.405 9.191 -13.655 1.00 0.01 H new ATOM 0 HA CYS A 129 2.685 7.250 -15.415 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.819 6.443 -13.469 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.424 6.698 -12.440 1.00 0.69 H new ATOM 0 HG CYS A 129 2.696 4.301 -14.901 1.00 1.22 H new ATOM 2015 N LYS A 130 0.308 6.380 -15.737 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.137 6.063 -15.986 1.00 0.01 C ATOM 2017 C LYS A 130 -1.309 4.541 -15.999 1.00 0.01 C ATOM 2018 O LYS A 130 -1.066 3.868 -16.978 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.576 6.669 -17.343 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.348 6.924 -18.224 1.00 0.80 C ATOM 2021 CD LYS A 130 -0.788 7.127 -19.677 1.00 0.29 C ATOM 2022 CE LYS A 130 -1.642 8.391 -19.783 1.00 0.33 C ATOM 2023 NZ LYS A 130 -1.754 8.795 -21.214 1.00 1.41 N ATOM 0 H LYS A 130 0.957 6.017 -16.436 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.758 6.491 -15.200 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -2.262 5.990 -17.849 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.115 7.602 -17.177 1.00 0.55 H new ATOM 0 HG2 LYS A 130 0.189 7.804 -17.870 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.341 6.082 -18.157 1.00 0.80 H new ATOM 0 HD2 LYS A 130 0.085 7.211 -20.324 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -1.356 6.262 -20.020 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -2.633 8.210 -19.366 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -1.194 9.196 -19.201 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -2.335 9.655 -21.288 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -0.806 8.984 -21.597 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -2.200 8.028 -21.757 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.749 4.019 -14.890 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.982 2.555 -14.738 1.00 0.01 C ATOM 2039 C VAL A 131 -3.486 2.307 -14.729 1.00 0.01 C ATOM 2040 O VAL A 131 -4.212 3.000 -14.046 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.373 2.072 -13.419 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.105 2.719 -12.243 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.505 0.548 -13.326 1.00 0.01 C ATOM 0 H VAL A 131 -1.964 4.564 -14.055 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.517 2.013 -15.561 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.320 2.352 -13.384 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.668 2.372 -11.307 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.011 3.803 -12.308 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.159 2.444 -12.275 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.072 0.202 -12.388 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.559 0.271 -13.363 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.978 0.086 -14.161 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.063 -1.996 -7.751 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.608 -1.622 -7.853 1.00 0.01 C ATOM 2107 C TRP A 136 -0.158 -0.877 -6.596 1.00 0.01 C ATOM 2108 O TRP A 136 -0.828 0.018 -6.116 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.385 -0.734 -9.079 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.489 -1.567 -10.312 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.646 -1.912 -10.915 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.580 -2.171 -11.098 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.359 -2.691 -12.019 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.001 -2.878 -12.177 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.981 -2.174 -10.981 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.781 -3.564 -13.108 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.770 -2.865 -11.916 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.171 -3.557 -12.977 1.00 0.01 C ATOM 0 HA TRP A 136 -0.021 -2.535 -7.952 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.125 0.066 -9.103 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.595 -0.261 -9.027 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.635 -1.626 -10.588 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.066 -3.081 -12.642 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.453 -1.642 -10.168 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.314 -4.096 -13.924 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.845 -2.863 -11.816 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.784 -4.084 -13.693 1.00 0.01 H new ATOM 2129 N ILE A 137 0.993 -1.233 -6.073 1.00 0.01 N ATOM 2130 CA ILE A 137 1.536 -0.551 -4.857 1.00 0.00 C ATOM 2131 C ILE A 137 2.875 0.083 -5.228 1.00 0.01 C ATOM 2132 O ILE A 137 3.689 -0.516 -5.899 1.00 0.01 O ATOM 2133 CB ILE A 137 1.785 -1.575 -3.741 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.570 -2.488 -3.568 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.048 -0.838 -2.428 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.970 -3.695 -2.716 1.00 1.69 C ATOM 0 H ILE A 137 1.585 -1.977 -6.443 1.00 0.01 H new ATOM 0 HA ILE A 137 0.822 0.196 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 137 2.648 -2.183 -4.011 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.245 -1.944 -3.091 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.206 -2.818 -4.541 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.225 -1.563 -1.633 1.00 1.37 H new ATOM 0 HG22 ILE A 137 2.924 -0.199 -2.539 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.182 -0.226 -2.175 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.109 -4.351 -2.588 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.772 -4.241 -3.213 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.314 -3.353 -1.740 1.00 1.69 H new ATOM 2148 N PHE A 138 3.112 1.284 -4.772 1.00 0.01 N ATOM 2149 CA PHE A 138 4.407 1.983 -5.055 1.00 0.01 C ATOM 2150 C PHE A 138 5.167 2.075 -3.723 1.00 0.01 C ATOM 2151 O PHE A 138 4.572 2.314 -2.694 1.00 0.00 O ATOM 2152 CB PHE A 138 4.108 3.400 -5.589 1.00 1.11 C ATOM 2153 CG PHE A 138 3.996 3.432 -7.108 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.587 2.307 -7.847 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.303 4.620 -7.779 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.492 2.382 -9.242 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.207 4.692 -9.174 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.803 3.571 -9.905 1.00 2.49 C ATOM 0 H PHE A 138 2.455 1.821 -4.206 1.00 0.01 H new ATOM 0 HA PHE A 138 4.997 1.447 -5.799 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.178 3.763 -5.150 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.898 4.080 -5.270 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.346 1.385 -7.338 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.616 5.488 -7.217 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.177 1.517 -9.807 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.445 5.613 -9.685 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.731 3.624 -10.981 1.00 2.49 H new ATOM 2168 N TYR A 139 6.473 1.899 -3.729 1.00 0.01 N ATOM 2169 CA TYR A 139 7.265 1.990 -2.454 1.00 0.01 C ATOM 2170 C TYR A 139 8.357 3.051 -2.603 1.00 0.01 C ATOM 2171 O TYR A 139 8.919 3.240 -3.668 1.00 0.01 O ATOM 2172 CB TYR A 139 7.918 0.641 -2.143 1.00 0.01 C ATOM 2173 CG TYR A 139 6.865 -0.440 -2.110 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.342 -0.928 -3.308 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.420 -0.959 -0.889 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.371 -1.936 -3.292 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.449 -1.967 -0.870 1.00 0.02 C ATOM 2178 CZ TYR A 139 4.924 -2.457 -2.071 1.00 0.02 C ATOM 2179 OH TYR A 139 3.966 -3.451 -2.054 1.00 0.00 O ATOM 0 H TYR A 139 7.024 1.696 -4.563 1.00 0.01 H new ATOM 0 HA TYR A 139 6.592 2.262 -1.641 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.669 0.407 -2.898 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.434 0.689 -1.184 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.687 -0.527 -4.250 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.826 -0.582 0.038 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.967 -2.312 -4.220 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.105 -2.367 0.072 1.00 0.02 H new ATOM 0 HH TYR A 139 3.432 -3.377 -1.235 1.00 0.00 H new ATOM 2189 N GLU A 140 8.629 3.773 -1.547 1.00 0.01 N ATOM 2190 CA GLU A 140 9.634 4.872 -1.612 1.00 0.02 C ATOM 2191 C GLU A 140 11.066 4.323 -1.645 1.00 0.01 C ATOM 2192 O GLU A 140 11.939 4.946 -2.215 1.00 0.01 O ATOM 2193 CB GLU A 140 9.457 5.733 -0.361 1.00 0.01 C ATOM 2194 CG GLU A 140 10.180 7.069 -0.545 1.00 0.02 C ATOM 2195 CD GLU A 140 9.856 7.988 0.633 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.780 8.563 0.632 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.690 8.103 1.517 1.00 0.02 O ATOM 0 H GLU A 140 8.192 3.646 -0.634 1.00 0.01 H new ATOM 0 HA GLU A 140 9.478 5.449 -2.523 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.397 5.905 -0.174 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.854 5.211 0.510 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.256 6.907 -0.609 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.872 7.536 -1.480 1.00 0.02 H new ATOM 2204 N LEU A 141 11.335 3.184 -1.042 1.00 0.01 N ATOM 2205 CA LEU A 141 12.734 2.635 -1.046 1.00 0.02 C ATOM 2206 C LEU A 141 12.750 1.308 -1.829 1.00 0.01 C ATOM 2207 O LEU A 141 11.745 0.622 -1.897 1.00 0.01 O ATOM 2208 CB LEU A 141 13.142 2.378 0.414 1.00 0.57 C ATOM 2209 CG LEU A 141 13.254 3.710 1.171 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.412 3.426 2.667 1.00 1.48 C ATOM 2211 CD2 LEU A 141 14.466 4.519 0.665 1.00 1.24 C ATOM 0 H LEU A 141 10.649 2.613 -0.549 1.00 0.01 H new ATOM 0 HA LEU A 141 13.426 3.335 -1.515 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.406 1.736 0.898 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.095 1.851 0.446 1.00 0.57 H new ATOM 0 HG LEU A 141 12.351 4.295 0.998 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.492 4.368 3.210 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.544 2.873 3.026 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.313 2.835 2.832 1.00 1.48 H new ATOM 0 HD21 LEU A 141 14.530 5.459 1.212 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.379 3.944 0.823 1.00 1.24 H new ATOM 0 HD23 LEU A 141 14.347 4.726 -0.399 1.00 1.24 H new ATOM 2223 N PRO A 142 13.876 0.935 -2.418 1.00 0.01 N ATOM 2224 CA PRO A 142 13.954 -0.336 -3.197 1.00 0.01 C ATOM 2225 C PRO A 142 13.538 -1.566 -2.382 1.00 0.01 C ATOM 2226 O PRO A 142 13.412 -1.537 -1.175 1.00 0.01 O ATOM 2227 CB PRO A 142 15.443 -0.404 -3.603 1.00 0.01 C ATOM 2228 CG PRO A 142 16.184 0.766 -2.929 1.00 0.02 C ATOM 2229 CD PRO A 142 15.137 1.738 -2.364 1.00 0.01 C ATOM 0 HA PRO A 142 13.268 -0.341 -4.044 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.877 -1.355 -3.295 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.544 -0.343 -4.687 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.830 0.398 -2.132 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.825 1.275 -3.649 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.378 2.045 -1.346 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.064 2.646 -2.962 1.00 0.01 H new ATOM 2237 N ASN A 143 13.352 -2.649 -3.081 1.00 0.01 N ATOM 2238 CA ASN A 143 12.971 -3.937 -2.441 1.00 0.01 C ATOM 2239 C ASN A 143 11.652 -3.809 -1.679 1.00 0.01 C ATOM 2240 O ASN A 143 11.405 -4.502 -0.712 1.00 0.01 O ATOM 2241 CB ASN A 143 14.075 -4.372 -1.473 1.00 0.23 C ATOM 2242 CG ASN A 143 13.812 -5.808 -1.013 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.230 -6.026 0.031 1.00 0.75 O ATOM 2244 ND2 ASN A 143 14.219 -6.803 -1.754 1.00 0.56 N ATOM 0 H ASN A 143 13.451 -2.696 -4.095 1.00 0.01 H new ATOM 0 HA ASN A 143 12.843 -4.683 -3.226 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.048 -4.307 -1.961 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.104 -3.703 -0.613 1.00 0.23 H new ATOM 0 HD21 ASN A 143 14.048 -7.764 -1.456 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.708 -6.620 -2.630 1.00 0.56 H new ATOM 2251 N TYR A 144 10.783 -2.954 -2.146 1.00 0.01 N ATOM 2252 CA TYR A 144 9.447 -2.794 -1.504 1.00 0.02 C ATOM 2253 C TYR A 144 9.588 -2.396 -0.030 1.00 0.01 C ATOM 2254 O TYR A 144 9.009 -3.013 0.843 1.00 0.01 O ATOM 2255 CB TYR A 144 8.678 -4.124 -1.627 1.00 0.01 C ATOM 2256 CG TYR A 144 9.119 -4.832 -2.894 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.983 -4.191 -4.132 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.680 -6.115 -2.830 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.403 -4.833 -5.305 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.102 -6.755 -4.001 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.964 -6.115 -5.239 1.00 0.01 C ATOM 2262 OH TYR A 144 10.381 -6.750 -6.393 1.00 0.01 O ATOM 0 H TYR A 144 10.944 -2.353 -2.954 1.00 0.01 H new ATOM 0 HA TYR A 144 8.899 -1.998 -2.009 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.871 -4.753 -0.758 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.604 -3.937 -1.654 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.554 -3.201 -4.183 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.787 -6.610 -1.876 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.294 -4.340 -6.259 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.534 -7.743 -3.950 1.00 0.01 H new ATOM 0 HH TYR A 144 10.747 -7.631 -6.168 1.00 0.01 H new ATOM 2272 N ARG A 145 10.351 -1.365 0.248 1.00 0.02 N ATOM 2273 CA ARG A 145 10.535 -0.911 1.668 1.00 0.01 C ATOM 2274 C ARG A 145 10.220 0.582 1.789 1.00 0.01 C ATOM 2275 O ARG A 145 10.118 1.288 0.806 1.00 0.01 O ATOM 2276 CB ARG A 145 11.989 -1.142 2.088 1.00 0.01 C ATOM 2277 CG ARG A 145 12.322 -2.642 2.033 1.00 0.02 C ATOM 2278 CD ARG A 145 11.669 -3.397 3.205 1.00 0.01 C ATOM 2279 NE ARG A 145 11.849 -2.636 4.475 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.122 -2.921 5.522 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.234 -3.876 5.462 1.00 0.02 N ATOM 2282 NH2 ARG A 145 11.282 -2.251 6.630 1.00 0.01 N ATOM 0 H ARG A 145 10.856 -0.816 -0.448 1.00 0.02 H new ATOM 0 HA ARG A 145 9.861 -1.478 2.310 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.658 -0.588 1.430 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.149 -0.763 3.097 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.975 -3.060 1.088 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.403 -2.779 2.065 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.607 -3.541 3.007 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.113 -4.388 3.301 1.00 0.01 H new ATOM 0 HE ARG A 145 12.543 -1.890 4.526 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.107 -4.401 4.597 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.667 -4.097 6.281 1.00 0.02 H new ATOM 0 HH21 ARG A 145 11.975 -1.504 6.679 1.00 0.01 H new ATOM 0 HH22 ARG A 145 10.714 -2.474 7.447 1.00 0.01 H new ATOM 2296 N GLY A 146 10.050 1.066 2.996 1.00 0.01 N ATOM 2297 CA GLY A 146 9.737 2.513 3.194 1.00 0.02 C ATOM 2298 C GLY A 146 8.226 2.740 3.133 1.00 0.01 C ATOM 2299 O GLY A 146 7.442 1.813 3.209 1.00 0.02 O ATOM 0 H GLY A 146 10.115 0.518 3.854 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.124 2.848 4.157 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.233 3.108 2.427 1.00 0.02 H new ATOM 2303 N ARG A 147 7.816 3.971 2.996 1.00 0.01 N ATOM 2304 CA ARG A 147 6.359 4.276 2.926 1.00 0.01 C ATOM 2305 C ARG A 147 5.805 3.741 1.609 1.00 0.01 C ATOM 2306 O ARG A 147 6.454 3.776 0.582 1.00 0.01 O ATOM 2307 CB ARG A 147 6.152 5.791 2.989 1.00 0.01 C ATOM 2308 CG ARG A 147 4.656 6.096 3.076 1.00 0.01 C ATOM 2309 CD ARG A 147 4.445 7.609 3.107 1.00 0.01 C ATOM 2310 NE ARG A 147 2.986 7.909 3.082 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.558 9.103 3.390 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.408 10.036 3.719 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.281 9.365 3.369 1.00 0.02 N ATOM 0 H ARG A 147 8.430 4.782 2.929 1.00 0.01 H new ATOM 0 HA ARG A 147 5.842 3.807 3.763 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.670 6.204 3.855 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.580 6.265 2.106 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.136 5.663 2.222 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.233 5.641 3.971 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.898 8.032 4.004 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.937 8.073 2.252 1.00 0.01 H new ATOM 0 HE ARG A 147 2.321 7.180 2.824 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.407 9.833 3.736 1.00 0.01 H new ATOM 0 HH12 ARG A 147 3.073 10.969 3.960 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.615 8.636 3.112 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.948 10.298 3.610 1.00 0.02 H new ATOM 2327 N GLN A 148 4.606 3.210 1.654 1.00 0.01 N ATOM 2328 CA GLN A 148 3.978 2.615 0.436 1.00 0.01 C ATOM 2329 C GLN A 148 2.764 3.455 0.024 1.00 0.01 C ATOM 2330 O GLN A 148 2.085 4.026 0.852 1.00 0.01 O ATOM 2331 CB GLN A 148 3.515 1.190 0.794 1.00 0.00 C ATOM 2332 CG GLN A 148 4.472 0.572 1.819 1.00 0.02 C ATOM 2333 CD GLN A 148 4.142 -0.911 1.998 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.161 -1.397 1.472 1.00 0.02 O ATOM 2335 NE2 GLN A 148 4.930 -1.659 2.722 1.00 0.01 N ATOM 0 H GLN A 148 4.030 3.164 2.495 1.00 0.01 H new ATOM 0 HA GLN A 148 4.690 2.592 -0.389 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.503 1.218 1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.482 0.573 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.503 0.688 1.485 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.385 1.092 2.773 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.754 -1.253 3.164 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.721 -2.650 2.845 1.00 0.01 H new ATOM 2344 N TYR A 149 2.481 3.511 -1.253 1.00 0.01 N ATOM 2345 CA TYR A 149 1.300 4.285 -1.752 1.00 0.01 C ATOM 2346 C TYR A 149 0.407 3.343 -2.559 1.00 0.01 C ATOM 2347 O TYR A 149 0.888 2.585 -3.376 1.00 0.01 O ATOM 2348 CB TYR A 149 1.772 5.444 -2.634 1.00 0.01 C ATOM 2349 CG TYR A 149 2.942 6.136 -1.975 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.240 5.640 -2.152 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.729 7.273 -1.184 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.323 6.281 -1.540 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.813 7.913 -0.572 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.110 7.417 -0.750 1.00 0.01 C ATOM 2355 OH TYR A 149 6.179 8.049 -0.148 1.00 0.01 O ATOM 0 H TYR A 149 3.024 3.048 -1.981 1.00 0.01 H new ATOM 0 HA TYR A 149 0.741 4.695 -0.911 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.062 5.072 -3.617 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.958 6.152 -2.789 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.405 4.763 -2.761 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.728 7.655 -1.047 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.324 5.899 -1.677 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.649 8.789 0.037 1.00 0.01 H new ATOM 0 HH TYR A 149 7.009 7.587 -0.388 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.881 3.358 -2.334 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.779 2.430 -3.087 1.00 0.01 C ATOM 2367 C LEU A 150 -2.358 3.160 -4.296 1.00 0.01 C ATOM 2368 O LEU A 150 -3.008 4.178 -4.171 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.912 1.989 -2.148 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.768 0.891 -2.818 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.125 -0.485 -2.603 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.171 0.884 -2.202 1.00 0.01 C ATOM 0 H LEU A 150 -1.349 3.969 -1.665 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.225 1.558 -3.434 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.494 1.614 -1.214 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.538 2.845 -1.896 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.831 1.100 -3.886 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.737 -1.251 -3.079 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.127 -0.493 -3.042 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -3.053 -0.690 -1.535 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.773 0.109 -2.676 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.098 0.684 -1.133 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.642 1.855 -2.358 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.133 2.635 -5.471 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.674 3.280 -6.702 1.00 0.01 C ATOM 2386 C LEU A 151 -4.046 2.677 -7.010 1.00 0.01 C ATOM 2387 O LEU A 151 -4.309 1.532 -6.702 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.722 3.019 -7.875 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.528 3.975 -7.798 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.229 3.752 -6.484 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.409 3.707 -8.979 1.00 0.01 C ATOM 0 H LEU A 151 -1.595 1.783 -5.631 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.768 4.355 -6.550 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.375 1.986 -7.850 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.248 3.156 -8.820 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.884 5.005 -7.837 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.078 4.434 -6.433 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.439 3.940 -5.643 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.587 2.723 -6.440 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.261 4.385 -8.929 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.762 2.677 -8.937 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.128 3.868 -9.914 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.924 3.443 -7.612 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.291 2.927 -7.943 1.00 0.01 C ATOM 2405 C ASP A 152 -6.411 2.733 -9.455 1.00 0.00 C ATOM 2406 O ASP A 152 -5.469 2.934 -10.195 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.338 3.942 -7.476 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.169 4.192 -5.975 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.128 4.700 -5.593 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -8.083 3.868 -5.235 1.00 1.57 O ATOM 0 H ASP A 152 -4.752 4.409 -7.890 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.454 1.973 -7.441 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.226 4.876 -8.026 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.341 3.568 -7.683 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.566 2.340 -9.918 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.754 2.128 -11.381 1.00 0.01 C ATOM 2417 C LYS A 153 -7.844 3.481 -12.091 1.00 0.01 C ATOM 2418 O LYS A 153 -8.489 3.610 -13.112 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.046 1.342 -11.615 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.171 1.951 -10.776 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.524 1.441 -11.279 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.562 -0.087 -11.194 1.00 1.09 C ATOM 2423 NZ LYS A 153 -10.997 -0.529 -9.889 1.00 1.84 N ATOM 0 H LYS A 153 -8.389 2.156 -9.345 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.907 1.569 -11.779 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.312 1.365 -12.672 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.902 0.296 -11.345 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -10.039 1.687 -9.727 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.136 3.039 -10.838 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -12.330 1.868 -10.682 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.685 1.762 -12.308 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.588 -0.442 -11.296 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -10.991 -0.521 -12.015 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -11.386 -1.461 -9.640 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -9.962 -0.595 -9.963 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.248 0.159 -9.151 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.200 4.490 -11.556 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.238 5.849 -12.189 1.00 0.01 C ATOM 2439 C LYS A 154 -5.845 6.207 -12.715 1.00 0.01 C ATOM 2440 O LYS A 154 -4.892 5.477 -12.527 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.660 6.884 -11.144 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.918 6.399 -10.417 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.499 7.539 -9.579 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.737 7.041 -8.835 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.843 6.819 -9.808 1.00 2.28 N ATOM 0 H LYS A 154 -6.645 4.431 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.951 5.845 -13.013 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.853 7.043 -10.429 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.853 7.843 -11.625 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.657 6.052 -11.140 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.676 5.551 -9.777 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.755 7.899 -8.869 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.761 8.380 -10.221 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.510 6.114 -8.308 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.040 7.769 -8.083 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.744 6.729 -9.295 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.896 7.625 -10.463 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.663 5.947 -10.346 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.724 7.335 -13.369 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.398 7.770 -13.914 1.00 0.01 C ATOM 2461 C GLU A 155 -3.856 8.904 -13.046 1.00 0.01 C ATOM 2462 O GLU A 155 -4.573 9.816 -12.688 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.576 8.270 -15.350 1.00 0.01 C ATOM 2464 CG GLU A 155 -4.802 7.077 -16.279 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.031 6.293 -15.815 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -7.131 6.729 -16.107 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -5.850 5.268 -15.176 1.00 0.01 O ATOM 0 H GLU A 155 -6.493 7.980 -13.551 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.702 6.931 -13.908 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.423 8.954 -15.406 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.694 8.828 -15.664 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -4.943 7.422 -17.303 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -3.924 6.431 -16.278 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.597 8.850 -12.691 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.007 9.918 -11.827 1.00 0.01 C ATOM 2476 C TYR A 156 -1.221 10.916 -12.679 1.00 0.01 C ATOM 2477 O TYR A 156 -0.221 10.581 -13.291 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.091 9.261 -10.792 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.923 8.384 -9.889 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.144 7.044 -10.224 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.478 8.914 -8.717 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.922 6.233 -9.390 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.255 8.103 -7.883 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.477 6.763 -8.217 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.245 5.964 -7.396 1.00 0.01 O ATOM 0 H TYR A 156 -1.950 8.110 -12.963 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.803 10.463 -11.319 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.324 8.668 -11.290 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.576 10.023 -10.207 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.714 6.635 -11.126 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.306 9.948 -8.457 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.095 5.199 -9.650 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.684 8.512 -6.980 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.552 6.486 -6.625 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.697 12.133 -12.775 1.00 0.01 N ATOM 2496 CA ARG A 157 -1.020 13.144 -13.636 1.00 0.01 C ATOM 2497 C ARG A 157 0.065 13.894 -12.858 1.00 0.00 C ATOM 2498 O ARG A 157 1.052 14.320 -13.427 1.00 0.01 O ATOM 2499 CB ARG A 157 -2.079 14.142 -14.123 1.00 0.01 C ATOM 2500 CG ARG A 157 -1.554 14.914 -15.333 1.00 0.01 C ATOM 2501 CD ARG A 157 -2.645 15.854 -15.852 1.00 0.00 C ATOM 2502 NE ARG A 157 -3.675 15.060 -16.576 1.00 0.01 N ATOM 2503 CZ ARG A 157 -4.835 15.590 -16.847 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.094 16.818 -16.485 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -5.737 14.894 -17.479 1.00 0.01 N ATOM 0 H ARG A 157 -2.530 12.468 -12.291 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.543 12.639 -14.476 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.994 13.613 -14.388 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.333 14.835 -13.321 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -0.668 15.486 -15.057 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.253 14.220 -16.118 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.102 16.393 -15.022 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -2.211 16.601 -16.517 1.00 0.00 H new ATOM 0 HE ARG A 157 -3.473 14.101 -16.860 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.388 17.363 -15.990 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.002 17.232 -16.698 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -5.536 13.935 -17.762 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -6.645 15.308 -17.691 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.090 14.049 -11.564 1.00 0.01 N ATOM 2520 CA LYS A 158 0.946 14.758 -10.745 1.00 0.01 C ATOM 2521 C LYS A 158 1.416 13.800 -9.638 1.00 0.01 C ATOM 2522 O LYS A 158 0.673 12.931 -9.232 1.00 0.01 O ATOM 2523 CB LYS A 158 0.311 16.008 -10.112 1.00 0.58 C ATOM 2524 CG LYS A 158 0.339 17.173 -11.109 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.392 18.376 -10.507 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.037 19.640 -11.295 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.035 19.316 -12.747 1.00 2.54 N ATOM 0 H LYS A 158 -0.895 13.712 -11.036 1.00 0.01 H new ATOM 0 HA LYS A 158 1.791 15.058 -11.364 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.717 15.795 -9.818 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.851 16.281 -9.206 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.369 17.440 -11.344 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -0.135 16.877 -12.045 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.469 18.210 -10.533 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.113 18.497 -9.460 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.786 20.413 -11.121 1.00 2.13 H new ATOM 0 HE3 LYS A 158 0.918 20.039 -10.953 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -0.029 20.193 -13.302 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 0.937 18.842 -12.953 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -0.753 18.687 -13.002 1.00 2.54 H new ATOM 2541 N PRO A 159 2.613 13.949 -9.124 1.00 0.01 N ATOM 2542 CA PRO A 159 3.072 13.044 -8.035 1.00 0.02 C ATOM 2543 C PRO A 159 2.173 13.189 -6.799 1.00 0.01 C ATOM 2544 O PRO A 159 1.808 12.215 -6.174 1.00 0.01 O ATOM 2545 CB PRO A 159 4.510 13.535 -7.778 1.00 0.41 C ATOM 2546 CG PRO A 159 4.698 14.873 -8.521 1.00 0.70 C ATOM 2547 CD PRO A 159 3.576 14.997 -9.565 1.00 0.28 C ATOM 0 HA PRO A 159 3.031 11.984 -8.284 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.683 13.665 -6.710 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.232 12.799 -8.130 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.660 15.707 -7.820 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.674 14.907 -9.005 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.126 15.990 -9.562 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.940 14.815 -10.576 1.00 0.28 H new ATOM 2555 N VAL A 160 1.819 14.382 -6.434 1.00 0.01 N ATOM 2556 CA VAL A 160 0.952 14.558 -5.235 1.00 0.02 C ATOM 2557 C VAL A 160 -0.380 13.835 -5.458 1.00 0.02 C ATOM 2558 O VAL A 160 -1.108 13.560 -4.525 1.00 0.02 O ATOM 2559 CB VAL A 160 0.700 16.049 -5.013 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.024 16.252 -3.681 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.039 16.789 -4.980 1.00 0.74 C ATOM 0 H VAL A 160 2.089 15.243 -6.909 1.00 0.01 H new ATOM 0 HA VAL A 160 1.445 14.138 -4.358 1.00 0.02 H new ATOM 0 HB VAL A 160 0.085 16.439 -5.824 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.204 17.315 -3.523 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.976 15.722 -3.700 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.591 15.863 -2.870 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.863 17.853 -4.822 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.651 16.398 -4.167 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.558 16.644 -5.927 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.719 13.536 -6.679 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.017 12.851 -6.931 1.00 0.01 C ATOM 2573 C ASP A 161 -2.041 11.434 -6.327 1.00 0.01 C ATOM 2574 O ASP A 161 -3.104 10.880 -6.125 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.257 12.757 -8.439 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.649 12.180 -8.703 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.392 12.018 -7.750 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.949 11.911 -9.855 1.00 0.00 O ATOM 0 H ASP A 161 -0.159 13.734 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.803 13.437 -6.454 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -2.169 13.744 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.497 12.125 -8.900 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.899 10.846 -6.003 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.924 9.470 -5.376 1.00 0.01 C ATOM 2585 C TRP A 162 -0.711 9.575 -3.857 1.00 0.01 C ATOM 2586 O TRP A 162 -0.482 8.588 -3.187 1.00 0.01 O ATOM 2587 CB TRP A 162 0.100 8.508 -6.009 1.00 0.01 C ATOM 2588 CG TRP A 162 1.445 9.130 -6.204 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.146 9.813 -5.274 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.282 9.084 -7.394 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.356 10.203 -5.826 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.484 9.777 -7.132 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.108 8.520 -8.670 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.485 9.901 -8.095 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.111 8.643 -9.644 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.296 9.334 -9.357 1.00 0.01 C ATOM 0 H TRP A 162 0.028 11.248 -6.142 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.908 9.045 -5.571 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.202 7.627 -5.375 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.279 8.166 -6.972 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.818 10.021 -4.266 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.066 10.740 -5.327 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.197 7.989 -8.902 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.398 10.431 -7.867 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.969 8.203 -10.620 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.063 9.428 -10.112 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.857 10.754 -3.302 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.745 10.916 -1.817 1.00 0.01 C ATOM 2609 C GLY A 163 0.700 11.113 -1.344 1.00 0.01 C ATOM 2610 O GLY A 163 0.975 11.062 -0.162 1.00 0.01 O ATOM 0 H GLY A 163 -1.050 11.614 -3.815 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.344 11.771 -1.504 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.165 10.037 -1.328 1.00 0.01 H new ATOM 2614 N ALA A 164 1.626 11.330 -2.238 1.00 0.01 N ATOM 2615 CA ALA A 164 3.053 11.518 -1.812 1.00 0.02 C ATOM 2616 C ALA A 164 3.405 13.005 -1.805 1.00 0.01 C ATOM 2617 O ALA A 164 3.009 13.759 -2.669 1.00 0.02 O ATOM 2618 CB ALA A 164 3.975 10.829 -2.811 1.00 0.01 C ATOM 0 H ALA A 164 1.462 11.386 -3.243 1.00 0.01 H new ATOM 0 HA ALA A 164 3.176 11.096 -0.815 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.012 10.965 -2.503 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.743 9.765 -2.846 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.830 11.264 -3.800 1.00 0.01 H new ATOM 2624 N ALA A 165 4.162 13.421 -0.827 1.00 0.02 N ATOM 2625 CA ALA A 165 4.571 14.852 -0.741 1.00 0.01 C ATOM 2626 C ALA A 165 5.810 15.085 -1.608 1.00 0.02 C ATOM 2627 O ALA A 165 6.243 16.206 -1.792 1.00 0.01 O ATOM 2628 CB ALA A 165 4.904 15.211 0.710 1.00 0.59 C ATOM 0 H ALA A 165 4.517 12.827 -0.078 1.00 0.02 H new ATOM 0 HA ALA A 165 3.750 15.477 -1.093 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.202 16.258 0.767 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.026 15.049 1.335 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.721 14.581 1.062 1.00 0.59 H new ATOM 2634 N SER A 166 6.385 14.039 -2.151 1.00 0.01 N ATOM 2635 CA SER A 166 7.598 14.196 -3.015 1.00 0.01 C ATOM 2636 C SER A 166 7.498 13.225 -4.210 1.00 0.02 C ATOM 2637 O SER A 166 6.918 12.165 -4.082 1.00 0.01 O ATOM 2638 CB SER A 166 8.842 13.860 -2.192 1.00 0.72 C ATOM 2639 OG SER A 166 8.910 14.726 -1.069 1.00 0.87 O ATOM 0 H SER A 166 6.065 13.078 -2.032 1.00 0.01 H new ATOM 0 HA SER A 166 7.664 15.221 -3.381 1.00 0.01 H new ATOM 0 HB2 SER A 166 8.805 12.821 -1.863 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.737 13.969 -2.804 1.00 0.72 H new ATOM 0 HG SER A 166 9.706 14.512 -0.539 1.00 0.87 H new ATOM 2645 N PRO A 167 8.062 13.551 -5.361 1.00 0.02 N ATOM 2646 CA PRO A 167 7.998 12.622 -6.528 1.00 0.01 C ATOM 2647 C PRO A 167 8.952 11.429 -6.364 1.00 0.01 C ATOM 2648 O PRO A 167 9.279 10.749 -7.322 1.00 0.01 O ATOM 2649 CB PRO A 167 8.463 13.528 -7.679 1.00 0.38 C ATOM 2650 CG PRO A 167 9.258 14.683 -7.056 1.00 0.35 C ATOM 2651 CD PRO A 167 8.784 14.839 -5.601 1.00 0.22 C ATOM 0 HA PRO A 167 7.013 12.178 -6.670 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.082 12.970 -8.382 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.608 13.908 -8.239 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.327 14.475 -7.091 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.095 15.605 -7.613 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.619 14.971 -4.913 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.129 15.702 -5.477 1.00 0.22 H new ATOM 2659 N ALA A 168 9.427 11.186 -5.170 1.00 0.01 N ATOM 2660 CA ALA A 168 10.385 10.059 -4.983 1.00 0.01 C ATOM 2661 C ALA A 168 9.642 8.730 -4.851 1.00 0.01 C ATOM 2662 O ALA A 168 8.849 8.516 -3.958 1.00 0.02 O ATOM 2663 CB ALA A 168 11.211 10.299 -3.717 1.00 0.18 C ATOM 0 H ALA A 168 9.196 11.712 -4.327 1.00 0.01 H new ATOM 0 HA ALA A 168 11.037 10.011 -5.855 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.912 9.476 -3.579 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.763 11.234 -3.815 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.547 10.359 -2.855 1.00 0.18 H new ATOM 2669 N ILE A 169 9.952 7.839 -5.750 1.00 0.01 N ATOM 2670 CA ILE A 169 9.352 6.473 -5.776 1.00 0.01 C ATOM 2671 C ILE A 169 10.425 5.568 -6.395 1.00 0.01 C ATOM 2672 O ILE A 169 10.923 5.853 -7.466 1.00 0.01 O ATOM 2673 CB ILE A 169 8.068 6.517 -6.643 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.823 6.821 -5.761 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.862 5.187 -7.381 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.824 7.699 -6.529 1.00 3.99 C ATOM 0 H ILE A 169 10.624 8.008 -6.498 1.00 0.01 H new ATOM 0 HA ILE A 169 9.067 6.104 -4.791 1.00 0.01 H new ATOM 0 HB ILE A 169 8.189 7.313 -7.378 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.344 5.888 -5.464 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.132 7.326 -4.846 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.955 5.242 -7.983 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.717 4.995 -8.029 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.768 4.379 -6.655 1.00 2.24 H new ATOM 0 HD11 ILE A 169 4.959 7.903 -5.898 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.302 8.639 -6.804 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.501 7.179 -7.431 1.00 3.99 H new ATOM 2688 N GLN A 170 10.826 4.517 -5.712 1.00 0.01 N ATOM 2689 CA GLN A 170 11.921 3.640 -6.247 1.00 0.01 C ATOM 2690 C GLN A 170 11.452 2.219 -6.585 1.00 0.02 C ATOM 2691 O GLN A 170 12.191 1.481 -7.207 1.00 0.01 O ATOM 2692 CB GLN A 170 13.037 3.573 -5.205 1.00 2.62 C ATOM 2693 CG GLN A 170 13.590 4.984 -4.977 1.00 3.39 C ATOM 2694 CD GLN A 170 14.884 4.909 -4.169 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.850 4.312 -4.600 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.943 5.493 -3.004 1.00 5.17 N ATOM 0 H GLN A 170 10.444 4.230 -4.811 1.00 0.01 H new ATOM 0 HA GLN A 170 12.269 4.081 -7.181 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.655 3.162 -4.270 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.831 2.908 -5.545 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.776 5.470 -5.934 1.00 3.39 H new ATOM 0 HG3 GLN A 170 12.855 5.591 -4.448 1.00 3.39 H new ATOM 0 HE21 GLN A 170 14.131 5.994 -2.643 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.801 5.449 -2.454 1.00 5.17 H new ATOM 2705 N SER A 171 10.272 1.782 -6.215 1.00 0.01 N ATOM 2706 CA SER A 171 9.893 0.375 -6.581 1.00 0.01 C ATOM 2707 C SER A 171 8.369 0.230 -6.606 1.00 0.01 C ATOM 2708 O SER A 171 7.654 0.992 -5.989 1.00 0.01 O ATOM 2709 CB SER A 171 10.485 -0.590 -5.554 1.00 0.01 C ATOM 2710 OG SER A 171 10.009 -1.904 -5.813 1.00 0.02 O ATOM 0 H SER A 171 9.575 2.314 -5.694 1.00 0.01 H new ATOM 0 HA SER A 171 10.285 0.143 -7.571 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.574 -0.569 -5.604 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.206 -0.282 -4.546 1.00 0.01 H new ATOM 0 HG SER A 171 10.424 -2.247 -6.632 1.00 0.02 H new ATOM 2716 N PHE A 172 7.865 -0.761 -7.303 1.00 0.01 N ATOM 2717 CA PHE A 172 6.383 -0.965 -7.347 1.00 0.01 C ATOM 2718 C PHE A 172 6.057 -2.445 -7.570 1.00 0.01 C ATOM 2719 O PHE A 172 6.848 -3.191 -8.117 1.00 0.01 O ATOM 2720 CB PHE A 172 5.755 -0.114 -8.457 1.00 1.06 C ATOM 2721 CG PHE A 172 6.339 -0.464 -9.807 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.934 -1.631 -10.470 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.275 0.388 -10.405 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.465 -1.941 -11.727 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.804 0.079 -11.662 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.399 -1.086 -12.323 1.00 1.92 C ATOM 0 H PHE A 172 8.413 -1.433 -7.840 1.00 0.01 H new ATOM 0 HA PHE A 172 5.964 -0.652 -6.391 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.676 -0.269 -8.473 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.922 0.943 -8.248 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.212 -2.290 -10.011 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.589 1.286 -9.894 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.154 -2.840 -12.237 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.524 0.739 -12.122 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.807 -1.325 -13.294 1.00 1.92 H new ATOM 2736 N ARG A 173 4.905 -2.881 -7.121 1.00 0.01 N ATOM 2737 CA ARG A 173 4.529 -4.323 -7.274 1.00 0.01 C ATOM 2738 C ARG A 173 3.032 -4.451 -7.563 1.00 0.01 C ATOM 2739 O ARG A 173 2.221 -3.668 -7.105 1.00 0.01 O ATOM 2740 CB ARG A 173 4.801 -5.066 -5.959 1.00 0.01 C ATOM 2741 CG ARG A 173 6.298 -5.250 -5.728 1.00 0.01 C ATOM 2742 CD ARG A 173 6.493 -6.230 -4.566 1.00 0.01 C ATOM 2743 NE ARG A 173 5.878 -5.667 -3.331 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.645 -6.443 -2.307 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.949 -7.710 -2.369 1.00 0.01 N ATOM 2746 NH2 ARG A 173 5.106 -5.954 -1.222 1.00 0.01 N ATOM 0 H ARG A 173 4.208 -2.301 -6.655 1.00 0.01 H new ATOM 0 HA ARG A 173 5.114 -4.743 -8.093 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.368 -4.510 -5.128 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.311 -6.040 -5.980 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.776 -5.632 -6.630 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.767 -4.293 -5.499 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.037 -7.191 -4.806 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.555 -6.413 -4.405 1.00 0.01 H new ATOM 0 HE ARG A 173 5.639 -4.676 -3.286 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.368 -8.093 -3.216 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.768 -8.318 -1.570 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.866 -4.964 -1.173 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.925 -6.562 -0.424 1.00 0.01 H new ATOM 2760 N ARG A 174 2.664 -5.469 -8.299 1.00 0.01 N ATOM 2761 CA ARG A 174 1.227 -5.706 -8.604 1.00 0.01 C ATOM 2762 C ARG A 174 0.630 -6.558 -7.480 1.00 0.01 C ATOM 2763 O ARG A 174 1.281 -7.436 -6.948 1.00 0.01 O ATOM 2764 CB ARG A 174 1.088 -6.456 -9.931 1.00 0.01 C ATOM 2765 CG ARG A 174 2.092 -7.609 -9.976 1.00 0.01 C ATOM 2766 CD ARG A 174 1.832 -8.463 -11.218 1.00 0.01 C ATOM 2767 NE ARG A 174 0.417 -8.929 -11.218 1.00 0.01 N ATOM 2768 CZ ARG A 174 -0.112 -9.404 -12.313 1.00 0.01 C ATOM 2769 NH1 ARG A 174 0.596 -9.459 -13.408 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -1.349 -9.820 -12.316 1.00 0.01 N ATOM 0 H ARG A 174 3.306 -6.150 -8.704 1.00 0.01 H new ATOM 0 HA ARG A 174 0.705 -4.752 -8.681 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.073 -6.839 -10.039 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.262 -5.776 -10.765 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.110 -7.219 -9.996 1.00 0.01 H new ATOM 0 HG3 ARG A 174 2.002 -8.219 -9.077 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.034 -7.884 -12.119 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.507 -9.319 -11.231 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.138 -8.877 -10.364 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.562 -9.131 -13.408 1.00 0.01 H new ATOM 0 HH12 ARG A 174 0.183 -9.830 -14.264 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.904 -9.774 -11.462 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.760 -10.191 -13.173 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.599 -6.312 -7.117 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.233 -7.119 -6.025 1.00 0.01 C ATOM 2786 C ILE A 175 -2.040 -8.267 -6.633 1.00 0.00 C ATOM 2787 O ILE A 175 -2.858 -8.059 -7.506 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.161 -6.230 -5.188 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.502 -4.867 -4.991 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.401 -6.877 -3.824 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.350 -4.010 -4.048 1.00 3.04 C ATOM 0 H ILE A 175 -1.193 -5.591 -7.525 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.450 -7.525 -5.384 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.114 -6.111 -5.703 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.501 -4.994 -4.580 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.391 -4.365 -5.952 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.061 -6.243 -3.232 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.864 -7.854 -3.961 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.450 -6.996 -3.305 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.874 -3.039 -3.912 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.342 -3.871 -4.477 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.438 -4.509 -3.083 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.819 -9.480 -6.184 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.577 -10.646 -6.739 1.00 0.00 C ATOM 2805 C VAL A 176 -2.988 -11.588 -5.602 1.00 0.01 C ATOM 2806 O VAL A 176 -2.278 -11.752 -4.632 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.687 -11.419 -7.714 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.203 -10.476 -8.817 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.480 -11.984 -6.961 1.00 1.89 C ATOM 0 H VAL A 176 -1.144 -9.713 -5.455 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.464 -10.277 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.255 -12.237 -8.157 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.569 -11.025 -9.513 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.062 -10.070 -9.352 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.633 -9.659 -8.373 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.156 -12.535 -7.654 1.00 1.89 H new ATOM 0 HG22 VAL A 176 0.089 -11.166 -6.519 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.824 -12.654 -6.173 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.125 -12.218 -5.736 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.607 -13.170 -4.691 1.00 0.01 C ATOM 2821 C GLU A 177 -5.944 -13.769 -5.137 1.00 0.01 C ATOM 2822 O GLU A 177 -6.089 -14.226 -6.253 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.789 -12.438 -3.350 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.501 -13.352 -2.335 1.00 3.19 C ATOM 2825 CD GLU A 177 -7.019 -13.269 -2.526 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -7.519 -12.165 -2.667 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -7.654 -14.311 -2.524 1.00 4.77 O ATOM 0 H GLU A 177 -4.749 -12.112 -6.536 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.872 -13.964 -4.560 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -3.818 -12.135 -2.958 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -5.370 -11.528 -3.500 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.166 -14.381 -2.463 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -5.238 -13.056 -1.320 1.00 3.19 H new