USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1074 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 96 SER OG : rot 70:sc= 1.16 USER MOD Set 1.2: A 128 SER OG : rot 71:sc= 1.26 USER MOD Set 2.1: A 87 TYR OH : rot 164:sc= 1.86 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.664 K(o=2.5,f=1.2) USER MOD Set 3.1: A 82 GLN : amide:sc= 1.99 K(o=3.8,f=-4.1!) USER MOD Set 3.2: A 114 GLN : amide:sc= 1.81 K(o=3.8,f=-6) USER MOD Set 4.1: A 73 GLN : amide:sc= 0.754 K(o=1.7,f=-2.9) USER MOD Set 4.2: A 76 LYS NZ :NH3+ -165:sc= 0.908 (180deg=0) USER MOD Set 5.1: A 29 GLN : amide:sc= 1.4 K(o=2.9,f=2.3) USER MOD Set 5.2: A 31 HIS : +bothHN:sc= 1.55 K(o=2.9,f=-5.5!) USER MOD Set 6.1: A 10 THR OG1 : rot 96:sc= 0.485 USER MOD Set 6.2: A 15 SER OG : rot 152:sc= 0.544 USER MOD Single : A 11 MET CE :methyl -178:sc= 0 (180deg=-0.0134) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 27 THR OG1 : rot 89:sc= 1.32 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.000112 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.735 K(o=0.73,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.2) USER MOD Single : A 51 TYR OH : rot 133:sc= 0.343 USER MOD Single : A 56 THR OG1 : rot 170:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 168:sc= 1.59 USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.252 USER MOD Single : A 67 SER OG : rot 113:sc= 1.25 USER MOD Single : A 78 SER OG : rot 59:sc= 1.25 USER MOD Single : A 84 ASN : amide:sc= 0.277 K(o=0.28,f=-2.9!) USER MOD Single : A 95 SER OG : rot -137:sc= 1.22 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot 92:sc= 0.741 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.93 K(o=0.93,f=-2.3) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 1.76 K(o=1.8,f=0) USER MOD Single : A 122 MET CE :methyl -148:sc= -0.503 (180deg=-1.39) USER MOD Single : A 130 ASN : amide:sc= 1.59 K(o=1.6,f=-4.7!) USER MOD Single : A 135 THR OG1 : rot -90:sc= 1.2 USER MOD Single : A 137 SER OG : rot 160:sc= -0.0792 USER MOD Single : A 138 ASN : amide:sc= 1.89 K(o=1.9,f=-0.12) USER MOD Single : A 143 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 146 THR OG1 : rot -45:sc= 1.25 USER MOD Single : A 149 SER OG : rot 16:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.850 -0.118 -0.842 1.00 0.00 N ATOM 21 CA ALA A 2 6.093 1.320 -1.011 1.00 0.00 C ATOM 22 C ALA A 2 5.782 1.834 -2.436 1.00 0.00 C ATOM 23 O ALA A 2 5.431 1.062 -3.329 1.00 0.00 O ATOM 24 CB ALA A 2 7.561 1.561 -0.625 1.00 0.00 C ATOM 0 HA ALA A 2 5.415 1.885 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.797 2.620 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.720 1.258 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.209 0.977 -1.278 1.00 0.00 H new ATOM 30 N GLU A 3 5.940 3.145 -2.652 1.00 0.00 N ATOM 31 CA GLU A 3 5.784 3.827 -3.946 1.00 0.00 C ATOM 32 C GLU A 3 7.053 4.649 -4.249 1.00 0.00 C ATOM 33 O GLU A 3 7.449 5.490 -3.436 1.00 0.00 O ATOM 34 CB GLU A 3 4.524 4.715 -3.924 1.00 0.00 C ATOM 35 CG GLU A 3 4.231 5.346 -5.292 1.00 0.00 C ATOM 36 CD GLU A 3 3.060 6.348 -5.219 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.307 7.546 -4.946 1.00 0.00 O1- ATOM 38 OE2 GLU A 3 1.894 5.951 -5.459 1.00 0.00 O ATOM 0 H GLU A 3 6.190 3.788 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 3 5.657 3.092 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.667 4.118 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.651 5.504 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.123 5.855 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.995 4.562 -6.011 1.00 0.00 H new ATOM 45 N ILE A 4 7.696 4.399 -5.400 1.00 0.00 N ATOM 46 CA ILE A 4 9.025 4.932 -5.746 1.00 0.00 C ATOM 47 C ILE A 4 8.985 5.833 -6.991 1.00 0.00 C ATOM 48 O ILE A 4 8.598 5.393 -8.077 1.00 0.00 O ATOM 49 CB ILE A 4 10.058 3.799 -6.009 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.979 2.575 -5.069 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.482 4.383 -6.010 1.00 0.00 C ATOM 52 CD1 ILE A 4 10.156 2.841 -3.577 1.00 0.00 C ATOM 0 H ILE A 4 7.300 3.809 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 4 9.332 5.519 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 4 9.793 3.401 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.011 2.096 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.740 1.859 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.202 3.586 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.566 5.136 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.688 4.841 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.079 1.902 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.135 3.285 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.380 3.526 -3.235 1.00 0.00 H new ATOM 64 N GLY A 5 9.453 7.075 -6.860 1.00 0.00 N ATOM 65 CA GLY A 5 9.694 7.948 -8.013 1.00 0.00 C ATOM 66 C GLY A 5 11.086 7.632 -8.576 1.00 0.00 C ATOM 67 O GLY A 5 12.057 7.617 -7.818 1.00 0.00 O ATOM 0 H GLY A 5 9.674 7.503 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.931 7.789 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.634 8.995 -7.715 1.00 0.00 H new ATOM 71 N ILE A 6 11.202 7.338 -9.875 1.00 0.00 N ATOM 72 CA ILE A 6 12.451 6.863 -10.492 1.00 0.00 C ATOM 73 C ILE A 6 12.917 7.886 -11.528 1.00 0.00 C ATOM 74 O ILE A 6 12.298 8.056 -12.578 1.00 0.00 O ATOM 75 CB ILE A 6 12.297 5.438 -11.072 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.958 4.445 -9.938 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.579 5.047 -11.835 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.831 2.987 -10.387 1.00 0.00 C ATOM 0 H ILE A 6 10.429 7.422 -10.535 1.00 0.00 H new ATOM 0 HA ILE A 6 13.225 6.778 -9.729 1.00 0.00 H new ATOM 0 HB ILE A 6 11.472 5.409 -11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.731 4.510 -9.172 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.021 4.751 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.468 4.042 -12.243 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.747 5.752 -12.649 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.429 5.070 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.592 2.361 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.037 2.903 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.773 2.658 -10.825 1.00 0.00 H new ATOM 90 N PHE A 7 14.026 8.561 -11.245 1.00 0.00 N ATOM 91 CA PHE A 7 14.487 9.719 -12.011 1.00 0.00 C ATOM 92 C PHE A 7 15.773 9.395 -12.759 1.00 0.00 C ATOM 93 O PHE A 7 16.716 8.826 -12.197 1.00 0.00 O ATOM 94 CB PHE A 7 14.654 10.912 -11.066 1.00 0.00 C ATOM 95 CG PHE A 7 13.393 11.172 -10.270 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.360 11.966 -10.799 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.223 10.544 -9.024 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.163 12.124 -10.079 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.046 10.735 -8.290 1.00 0.00 C ATOM 100 CZ PHE A 7 11.005 11.513 -8.825 1.00 0.00 C ATOM 0 H PHE A 7 14.640 8.318 -10.467 1.00 0.00 H new ATOM 0 HA PHE A 7 13.745 9.981 -12.766 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.483 10.724 -10.384 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.911 11.801 -11.643 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.486 12.453 -11.755 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.004 9.911 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.361 12.718 -10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.938 10.285 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.086 11.641 -8.273 1.00 0.00 H new ATOM 110 N VAL A 8 15.799 9.766 -14.040 1.00 0.00 N ATOM 111 CA VAL A 8 16.846 9.345 -14.972 1.00 0.00 C ATOM 112 C VAL A 8 17.667 10.526 -15.476 1.00 0.00 C ATOM 113 O VAL A 8 17.144 11.609 -15.744 1.00 0.00 O ATOM 114 CB VAL A 8 16.227 8.570 -16.147 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.287 7.995 -17.092 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.375 7.397 -15.641 1.00 0.00 C ATOM 0 H VAL A 8 15.092 10.369 -14.462 1.00 0.00 H new ATOM 0 HA VAL A 8 17.528 8.687 -14.433 1.00 0.00 H new ATOM 0 HB VAL A 8 15.614 9.291 -16.688 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.797 7.457 -17.904 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.886 8.807 -17.504 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.933 7.311 -16.541 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.948 6.864 -16.491 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.000 6.716 -15.063 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.572 7.777 -15.010 1.00 0.00 H new ATOM 126 N GLY A 9 18.960 10.272 -15.665 1.00 0.00 N ATOM 127 CA GLY A 9 19.903 11.179 -16.308 1.00 0.00 C ATOM 128 C GLY A 9 20.698 10.399 -17.352 1.00 0.00 C ATOM 129 O GLY A 9 21.419 9.457 -17.029 1.00 0.00 O ATOM 0 H GLY A 9 19.393 9.399 -15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.371 12.006 -16.778 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.575 11.613 -15.567 1.00 0.00 H new ATOM 133 N THR A 10 20.535 10.745 -18.627 1.00 0.00 N ATOM 134 CA THR A 10 21.137 10.008 -19.752 1.00 0.00 C ATOM 135 C THR A 10 21.258 10.891 -20.999 1.00 0.00 C ATOM 136 O THR A 10 20.565 11.903 -21.104 1.00 0.00 O ATOM 137 CB THR A 10 20.288 8.756 -20.036 1.00 0.00 C ATOM 138 OG1 THR A 10 21.013 7.847 -20.822 1.00 0.00 O ATOM 139 CG2 THR A 10 18.963 8.990 -20.733 1.00 0.00 C ATOM 0 H THR A 10 19.979 11.549 -18.918 1.00 0.00 H new ATOM 0 HA THR A 10 22.149 9.706 -19.483 1.00 0.00 H new ATOM 0 HB THR A 10 20.057 8.375 -19.041 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.438 7.180 -20.243 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.455 8.037 -20.879 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.340 9.643 -20.121 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.139 9.459 -21.701 1.00 0.00 H new ATOM 147 N MET A 11 22.094 10.479 -21.953 1.00 0.00 N ATOM 148 CA MET A 11 22.223 11.106 -23.281 1.00 0.00 C ATOM 149 C MET A 11 21.917 10.120 -24.427 1.00 0.00 C ATOM 150 O MET A 11 21.581 10.559 -25.529 1.00 0.00 O ATOM 151 CB MET A 11 23.634 11.694 -23.453 1.00 0.00 C ATOM 152 CG MET A 11 24.041 12.707 -22.373 1.00 0.00 C ATOM 153 SD MET A 11 22.987 14.183 -22.201 1.00 0.00 S ATOM 154 CE MET A 11 23.286 15.014 -23.785 1.00 0.00 C ATOM 0 H MET A 11 22.717 9.682 -21.827 1.00 0.00 H new ATOM 0 HA MET A 11 21.484 11.905 -23.335 1.00 0.00 H new ATOM 0 HB2 MET A 11 24.356 10.877 -23.457 1.00 0.00 H new ATOM 0 HB3 MET A 11 23.695 12.178 -24.428 1.00 0.00 H new ATOM 0 HG2 MET A 11 24.064 12.191 -21.413 1.00 0.00 H new ATOM 0 HG3 MET A 11 25.059 13.037 -22.582 1.00 0.00 H new ATOM 0 HE1 MET A 11 22.735 15.954 -23.813 1.00 0.00 H new ATOM 0 HE2 MET A 11 24.352 15.215 -23.895 1.00 0.00 H new ATOM 0 HE3 MET A 11 22.952 14.373 -24.601 1.00 0.00 H new ATOM 164 N TYR A 12 21.974 8.805 -24.162 1.00 0.00 N ATOM 165 CA TYR A 12 21.798 7.733 -25.157 1.00 0.00 C ATOM 166 C TYR A 12 20.865 6.585 -24.709 1.00 0.00 C ATOM 167 O TYR A 12 20.539 5.720 -25.525 1.00 0.00 O ATOM 168 CB TYR A 12 23.181 7.180 -25.543 1.00 0.00 C ATOM 169 CG TYR A 12 24.141 8.215 -26.099 1.00 0.00 C ATOM 170 CD1 TYR A 12 24.068 8.600 -27.452 1.00 0.00 C ATOM 171 CD2 TYR A 12 25.098 8.804 -25.254 1.00 0.00 C ATOM 172 CE1 TYR A 12 24.950 9.574 -27.958 1.00 0.00 C ATOM 173 CE2 TYR A 12 25.980 9.781 -25.751 1.00 0.00 C ATOM 174 CZ TYR A 12 25.908 10.170 -27.105 1.00 0.00 C ATOM 175 OH TYR A 12 26.760 11.116 -27.585 1.00 0.00 O ATOM 0 H TYR A 12 22.149 8.447 -23.223 1.00 0.00 H new ATOM 0 HA TYR A 12 21.300 8.183 -26.016 1.00 0.00 H new ATOM 0 HB2 TYR A 12 23.632 6.720 -24.664 1.00 0.00 H new ATOM 0 HB3 TYR A 12 23.049 6.391 -26.283 1.00 0.00 H new ATOM 0 HD1 TYR A 12 23.334 8.147 -28.102 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.156 8.505 -24.218 1.00 0.00 H new ATOM 0 HE1 TYR A 12 24.895 9.866 -28.996 1.00 0.00 H new ATOM 0 HE2 TYR A 12 26.711 10.232 -25.097 1.00 0.00 H new ATOM 0 HH TYR A 12 27.351 11.420 -26.865 1.00 0.00 H new ATOM 185 N GLY A 13 20.409 6.554 -23.446 1.00 0.00 N ATOM 186 CA GLY A 13 19.357 5.631 -22.981 1.00 0.00 C ATOM 187 C GLY A 13 19.828 4.421 -22.164 1.00 0.00 C ATOM 188 O GLY A 13 18.999 3.655 -21.680 1.00 0.00 O ATOM 0 H GLY A 13 20.761 7.171 -22.714 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.648 6.197 -22.377 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.813 5.265 -23.852 1.00 0.00 H new ATOM 192 N ASN A 14 21.136 4.239 -21.959 1.00 0.00 N ATOM 193 CA ASN A 14 21.679 3.085 -21.218 1.00 0.00 C ATOM 194 C ASN A 14 21.240 3.073 -19.739 1.00 0.00 C ATOM 195 O ASN A 14 20.740 2.068 -19.237 1.00 0.00 O ATOM 196 CB ASN A 14 23.215 3.071 -21.363 1.00 0.00 C ATOM 197 CG ASN A 14 23.689 2.685 -22.762 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.036 1.972 -23.508 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.852 3.146 -23.168 1.00 0.00 N ATOM 0 H ASN A 14 21.851 4.883 -22.299 1.00 0.00 H new ATOM 0 HA ASN A 14 21.270 2.172 -21.650 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.605 4.058 -21.115 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.634 2.372 -20.640 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.199 2.907 -24.097 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.407 3.742 -22.554 1.00 0.00 H new ATOM 206 N SER A 15 21.361 4.212 -19.048 1.00 0.00 N ATOM 207 CA SER A 15 20.841 4.408 -17.683 1.00 0.00 C ATOM 208 C SER A 15 19.299 4.407 -17.626 1.00 0.00 C ATOM 209 O SER A 15 18.722 3.916 -16.659 1.00 0.00 O ATOM 210 CB SER A 15 21.476 5.669 -17.073 1.00 0.00 C ATOM 211 OG SER A 15 21.485 6.727 -18.014 1.00 0.00 O ATOM 0 H SER A 15 21.829 5.037 -19.423 1.00 0.00 H new ATOM 0 HA SER A 15 21.132 3.555 -17.070 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.920 5.970 -16.185 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.495 5.451 -16.753 1.00 0.00 H new ATOM 0 HG SER A 15 21.458 7.585 -17.542 1.00 0.00 H new ATOM 217 N LEU A 16 18.607 4.841 -18.687 1.00 0.00 N ATOM 218 CA LEU A 16 17.142 4.706 -18.800 1.00 0.00 C ATOM 219 C LEU A 16 16.674 3.239 -18.854 1.00 0.00 C ATOM 220 O LEU A 16 15.738 2.879 -18.143 1.00 0.00 O ATOM 221 CB LEU A 16 16.662 5.503 -20.025 1.00 0.00 C ATOM 222 CG LEU A 16 15.156 5.406 -20.335 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.296 5.968 -19.206 1.00 0.00 C ATOM 224 CD2 LEU A 16 14.881 6.204 -21.608 1.00 0.00 C ATOM 0 H LEU A 16 19.041 5.295 -19.491 1.00 0.00 H new ATOM 0 HA LEU A 16 16.691 5.116 -17.896 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.917 6.552 -19.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.217 5.161 -20.899 1.00 0.00 H new ATOM 0 HG LEU A 16 14.898 4.354 -20.454 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.243 5.877 -19.471 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.489 5.410 -18.290 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.542 7.018 -19.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.819 6.150 -21.849 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.166 7.245 -21.454 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.461 5.787 -22.431 1.00 0.00 H new ATOM 236 N LEU A 17 17.333 2.376 -19.635 1.00 0.00 N ATOM 237 CA LEU A 17 17.043 0.932 -19.664 1.00 0.00 C ATOM 238 C LEU A 17 17.155 0.312 -18.260 1.00 0.00 C ATOM 239 O LEU A 17 16.292 -0.460 -17.839 1.00 0.00 O ATOM 240 CB LEU A 17 17.978 0.270 -20.696 1.00 0.00 C ATOM 241 CG LEU A 17 17.802 -1.254 -20.877 1.00 0.00 C ATOM 242 CD1 LEU A 17 18.295 -1.659 -22.269 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.611 -2.082 -19.868 1.00 0.00 C ATOM 0 H LEU A 17 18.084 2.656 -20.266 1.00 0.00 H new ATOM 0 HA LEU A 17 16.012 0.758 -19.973 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.824 0.752 -21.661 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.009 0.466 -20.403 1.00 0.00 H new ATOM 0 HG LEU A 17 16.741 -1.456 -20.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.172 -2.734 -22.400 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.716 -1.133 -23.028 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.349 -1.399 -22.372 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.443 -3.143 -20.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.672 -1.858 -19.981 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.294 -1.833 -18.855 1.00 0.00 H new ATOM 255 N VAL A 18 18.193 0.694 -17.509 1.00 0.00 N ATOM 256 CA VAL A 18 18.385 0.272 -16.111 1.00 0.00 C ATOM 257 C VAL A 18 17.260 0.778 -15.190 1.00 0.00 C ATOM 258 O VAL A 18 16.803 0.037 -14.319 1.00 0.00 O ATOM 259 CB VAL A 18 19.781 0.711 -15.629 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.990 0.476 -14.137 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.872 -0.074 -16.373 1.00 0.00 C ATOM 0 H VAL A 18 18.930 1.309 -17.853 1.00 0.00 H new ATOM 0 HA VAL A 18 18.331 -0.816 -16.065 1.00 0.00 H new ATOM 0 HB VAL A 18 19.847 1.780 -15.833 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.990 0.804 -13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.249 1.042 -13.572 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.880 -0.586 -13.917 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.853 0.246 -16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.748 -1.140 -16.181 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.790 0.114 -17.443 1.00 0.00 H new ATOM 271 N ALA A 19 16.760 2.000 -15.395 1.00 0.00 N ATOM 272 CA ALA A 19 15.587 2.516 -14.683 1.00 0.00 C ATOM 273 C ALA A 19 14.290 1.748 -15.002 1.00 0.00 C ATOM 274 O ALA A 19 13.503 1.460 -14.099 1.00 0.00 O ATOM 275 CB ALA A 19 15.444 4.003 -15.011 1.00 0.00 C ATOM 0 H ALA A 19 17.159 2.661 -16.061 1.00 0.00 H new ATOM 0 HA ALA A 19 15.746 2.373 -13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.576 4.408 -14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.340 4.534 -14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.314 4.128 -16.086 1.00 0.00 H new ATOM 281 N GLU A 20 14.071 1.371 -16.263 1.00 0.00 N ATOM 282 CA GLU A 20 12.945 0.513 -16.668 1.00 0.00 C ATOM 283 C GLU A 20 13.018 -0.890 -16.025 1.00 0.00 C ATOM 284 O GLU A 20 11.998 -1.409 -15.568 1.00 0.00 O ATOM 285 CB GLU A 20 12.871 0.419 -18.203 1.00 0.00 C ATOM 286 CG GLU A 20 12.428 1.739 -18.841 1.00 0.00 C ATOM 287 CD GLU A 20 12.244 1.574 -20.361 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.243 1.661 -21.119 1.00 0.00 O1- ATOM 289 OE2 GLU A 20 11.091 1.358 -20.813 1.00 0.00 O ATOM 0 H GLU A 20 14.670 1.651 -17.039 1.00 0.00 H new ATOM 0 HA GLU A 20 12.029 0.976 -16.301 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.848 0.137 -18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.174 -0.371 -18.484 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.493 2.071 -18.390 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.170 2.512 -18.641 1.00 0.00 H new ATOM 296 N GLU A 21 14.216 -1.482 -15.912 1.00 0.00 N ATOM 297 CA GLU A 21 14.440 -2.708 -15.127 1.00 0.00 C ATOM 298 C GLU A 21 14.118 -2.511 -13.637 1.00 0.00 C ATOM 299 O GLU A 21 13.430 -3.347 -13.049 1.00 0.00 O ATOM 300 CB GLU A 21 15.893 -3.190 -15.282 1.00 0.00 C ATOM 301 CG GLU A 21 16.139 -3.948 -16.589 1.00 0.00 C ATOM 302 CD GLU A 21 15.527 -5.362 -16.540 1.00 0.00 C ATOM 303 OE1 GLU A 21 16.112 -6.253 -15.875 1.00 0.00 O ATOM 304 OE2 GLU A 21 14.451 -5.581 -17.147 1.00 0.00 O1- ATOM 0 H GLU A 21 15.059 -1.125 -16.362 1.00 0.00 H new ATOM 0 HA GLU A 21 13.759 -3.464 -15.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.561 -2.330 -15.237 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.147 -3.836 -14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.708 -3.392 -17.421 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.211 -4.019 -16.774 1.00 0.00 H new ATOM 311 N ALA A 22 14.552 -1.405 -13.022 1.00 0.00 N ATOM 312 CA ALA A 22 14.232 -1.103 -11.627 1.00 0.00 C ATOM 313 C ALA A 22 12.713 -1.005 -11.375 1.00 0.00 C ATOM 314 O ALA A 22 12.198 -1.628 -10.446 1.00 0.00 O ATOM 315 CB ALA A 22 14.977 0.169 -11.198 1.00 0.00 C ATOM 0 H ALA A 22 15.132 -0.699 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 22 14.572 -1.933 -11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.740 0.396 -10.159 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.051 0.013 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.669 1.002 -11.831 1.00 0.00 H new ATOM 321 N GLU A 23 11.977 -0.290 -12.234 1.00 0.00 N ATOM 322 CA GLU A 23 10.509 -0.217 -12.189 1.00 0.00 C ATOM 323 C GLU A 23 9.860 -1.610 -12.270 1.00 0.00 C ATOM 324 O GLU A 23 8.987 -1.931 -11.457 1.00 0.00 O ATOM 325 CB GLU A 23 10.023 0.687 -13.332 1.00 0.00 C ATOM 326 CG GLU A 23 8.530 1.026 -13.254 1.00 0.00 C ATOM 327 CD GLU A 23 8.053 1.794 -14.506 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.838 1.151 -15.562 1.00 0.00 O ATOM 329 OE2 GLU A 23 7.873 3.034 -14.437 1.00 0.00 O1- ATOM 0 H GLU A 23 12.387 0.261 -12.989 1.00 0.00 H new ATOM 0 HA GLU A 23 10.208 0.207 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.598 1.613 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.226 0.196 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.953 0.107 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.339 1.626 -12.364 1.00 0.00 H new ATOM 336 N ALA A 24 10.312 -2.456 -13.200 1.00 0.00 N ATOM 337 CA ALA A 24 9.819 -3.822 -13.360 1.00 0.00 C ATOM 338 C ALA A 24 10.064 -4.688 -12.108 1.00 0.00 C ATOM 339 O ALA A 24 9.131 -5.322 -11.616 1.00 0.00 O ATOM 340 CB ALA A 24 10.458 -4.435 -14.612 1.00 0.00 C ATOM 0 H ALA A 24 11.039 -2.206 -13.870 1.00 0.00 H new ATOM 0 HA ALA A 24 8.737 -3.791 -13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.097 -5.455 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.189 -3.841 -15.486 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.542 -4.445 -14.499 1.00 0.00 H new ATOM 346 N ILE A 25 11.276 -4.677 -11.542 1.00 0.00 N ATOM 347 CA ILE A 25 11.625 -5.403 -10.315 1.00 0.00 C ATOM 348 C ILE A 25 10.787 -4.958 -9.109 1.00 0.00 C ATOM 349 O ILE A 25 10.317 -5.801 -8.346 1.00 0.00 O ATOM 350 CB ILE A 25 13.130 -5.204 -10.045 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.971 -5.925 -11.125 1.00 0.00 C ATOM 352 CG2 ILE A 25 13.516 -5.720 -8.652 1.00 0.00 C ATOM 353 CD1 ILE A 25 15.407 -5.399 -11.197 1.00 0.00 C ATOM 0 H ILE A 25 12.059 -4.152 -11.932 1.00 0.00 H new ATOM 0 HA ILE A 25 11.403 -6.460 -10.460 1.00 0.00 H new ATOM 0 HB ILE A 25 13.338 -4.135 -10.085 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.989 -6.994 -10.913 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.493 -5.801 -12.097 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.583 -5.566 -8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.952 -5.177 -7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.288 -6.784 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.954 -5.938 -11.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.393 -4.336 -11.437 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.898 -5.548 -10.235 1.00 0.00 H new ATOM 365 N LEU A 26 10.563 -3.652 -8.933 1.00 0.00 N ATOM 366 CA LEU A 26 9.805 -3.118 -7.796 1.00 0.00 C ATOM 367 C LEU A 26 8.337 -3.538 -7.908 1.00 0.00 C ATOM 368 O LEU A 26 7.754 -4.045 -6.949 1.00 0.00 O ATOM 369 CB LEU A 26 9.965 -1.584 -7.766 1.00 0.00 C ATOM 370 CG LEU A 26 11.345 -1.140 -7.243 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.630 0.289 -7.695 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.416 -1.198 -5.713 1.00 0.00 C ATOM 0 H LEU A 26 10.902 -2.935 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 26 10.188 -3.521 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.817 -1.188 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.187 -1.154 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 26 12.088 -1.825 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.606 0.600 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.625 0.334 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.863 0.955 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.404 -0.878 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.660 -0.538 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.235 -2.220 -5.379 1.00 0.00 H new ATOM 384 N THR A 27 7.794 -3.419 -9.120 1.00 0.00 N ATOM 385 CA THR A 27 6.464 -3.902 -9.500 1.00 0.00 C ATOM 386 C THR A 27 6.302 -5.406 -9.242 1.00 0.00 C ATOM 387 O THR A 27 5.310 -5.825 -8.642 1.00 0.00 O ATOM 388 CB THR A 27 6.214 -3.567 -10.981 1.00 0.00 C ATOM 389 OG1 THR A 27 6.317 -2.176 -11.199 1.00 0.00 O ATOM 390 CG2 THR A 27 4.830 -3.987 -11.443 1.00 0.00 C ATOM 0 H THR A 27 8.285 -2.968 -9.892 1.00 0.00 H new ATOM 0 HA THR A 27 5.722 -3.400 -8.879 1.00 0.00 H new ATOM 0 HB THR A 27 6.969 -4.116 -11.544 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.247 -1.945 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.703 -3.729 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.716 -5.064 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.076 -3.470 -10.849 1.00 0.00 H new ATOM 398 N ALA A 28 7.285 -6.225 -9.638 1.00 0.00 N ATOM 399 CA ALA A 28 7.280 -7.677 -9.434 1.00 0.00 C ATOM 400 C ALA A 28 7.362 -8.083 -7.949 1.00 0.00 C ATOM 401 O ALA A 28 6.664 -9.009 -7.525 1.00 0.00 O ATOM 402 CB ALA A 28 8.446 -8.280 -10.228 1.00 0.00 C ATOM 0 H ALA A 28 8.120 -5.890 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 28 6.327 -8.067 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.460 -9.361 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.322 -8.051 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.386 -7.857 -9.873 1.00 0.00 H new ATOM 408 N GLN A 29 8.173 -7.377 -7.148 1.00 0.00 N ATOM 409 CA GLN A 29 8.290 -7.606 -5.703 1.00 0.00 C ATOM 410 C GLN A 29 7.004 -7.228 -4.934 1.00 0.00 C ATOM 411 O GLN A 29 6.702 -7.832 -3.903 1.00 0.00 O ATOM 412 CB GLN A 29 9.524 -6.843 -5.183 1.00 0.00 C ATOM 413 CG GLN A 29 9.862 -7.183 -3.722 1.00 0.00 C ATOM 414 CD GLN A 29 11.248 -6.682 -3.323 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.408 -5.635 -2.711 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.292 -7.409 -3.655 1.00 0.00 N ATOM 0 H GLN A 29 8.771 -6.624 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 29 8.423 -8.673 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.382 -7.076 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.346 -5.771 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.114 -6.740 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.812 -8.263 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.164 -8.283 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.230 -7.099 -3.402 1.00 0.00 H new ATOM 425 N GLY A 30 6.235 -6.261 -5.450 1.00 0.00 N ATOM 426 CA GLY A 30 4.897 -5.887 -4.962 1.00 0.00 C ATOM 427 C GLY A 30 4.708 -4.385 -4.711 1.00 0.00 C ATOM 428 O GLY A 30 3.603 -3.948 -4.388 1.00 0.00 O ATOM 0 H GLY A 30 6.535 -5.697 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.154 -6.218 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.699 -6.425 -4.035 1.00 0.00 H new ATOM 432 N HIS A 31 5.776 -3.593 -4.833 1.00 0.00 N ATOM 433 CA HIS A 31 5.766 -2.129 -4.717 1.00 0.00 C ATOM 434 C HIS A 31 5.130 -1.469 -5.956 1.00 0.00 C ATOM 435 O HIS A 31 4.774 -2.134 -6.934 1.00 0.00 O ATOM 436 CB HIS A 31 7.213 -1.637 -4.526 1.00 0.00 C ATOM 437 CG HIS A 31 7.956 -2.319 -3.408 1.00 0.00 C ATOM 438 ND1 HIS A 31 7.695 -2.181 -2.043 1.00 0.00 N ATOM 439 CD2 HIS A 31 9.000 -3.178 -3.576 1.00 0.00 C ATOM 440 CE1 HIS A 31 8.605 -2.955 -1.421 1.00 0.00 C ATOM 441 NE2 HIS A 31 9.392 -3.571 -2.318 1.00 0.00 N ATOM 0 H HIS A 31 6.707 -3.965 -5.022 1.00 0.00 H new ATOM 0 HA HIS A 31 5.161 -1.846 -3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.761 -1.787 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.197 -0.564 -4.335 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.968 -1.613 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.435 -3.490 -4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.690 -3.065 -0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.150 -4.219 -2.103 1.00 0.00 H new ATOM 449 N LYS A 32 5.051 -0.136 -5.938 1.00 0.00 N ATOM 450 CA LYS A 32 4.637 0.709 -7.072 1.00 0.00 C ATOM 451 C LYS A 32 5.796 1.625 -7.473 1.00 0.00 C ATOM 452 O LYS A 32 6.552 2.079 -6.618 1.00 0.00 O ATOM 453 CB LYS A 32 3.367 1.462 -6.640 1.00 0.00 C ATOM 454 CG LYS A 32 2.755 2.346 -7.733 1.00 0.00 C ATOM 455 CD LYS A 32 1.494 3.025 -7.184 1.00 0.00 C ATOM 456 CE LYS A 32 1.008 4.126 -8.134 1.00 0.00 C ATOM 457 NZ LYS A 32 0.105 5.073 -7.429 1.00 0.00 N1+ ATOM 0 H LYS A 32 5.281 0.408 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 32 4.397 0.128 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.621 0.736 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.603 2.084 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.476 3.097 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.507 1.745 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.707 2.283 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.704 3.452 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.864 4.666 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.484 3.678 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.211 5.809 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.721 4.558 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.615 5.515 -6.638 1.00 0.00 H new ATOM 471 N ALA A 33 5.959 1.898 -8.764 1.00 0.00 N ATOM 472 CA ALA A 33 7.051 2.732 -9.267 1.00 0.00 C ATOM 473 C ALA A 33 6.653 3.535 -10.521 1.00 0.00 C ATOM 474 O ALA A 33 5.650 3.242 -11.173 1.00 0.00 O ATOM 475 CB ALA A 33 8.261 1.821 -9.507 1.00 0.00 C ATOM 0 H ALA A 33 5.338 1.548 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 33 7.305 3.491 -8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.094 2.414 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.549 1.344 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.001 1.056 -10.238 1.00 0.00 H new ATOM 481 N THR A 34 7.429 4.570 -10.865 1.00 0.00 N ATOM 482 CA THR A 34 7.241 5.375 -12.089 1.00 0.00 C ATOM 483 C THR A 34 8.563 5.993 -12.547 1.00 0.00 C ATOM 484 O THR A 34 9.145 6.806 -11.829 1.00 0.00 O ATOM 485 CB THR A 34 6.207 6.495 -11.866 1.00 0.00 C ATOM 486 OG1 THR A 34 4.962 5.931 -11.499 1.00 0.00 O ATOM 487 CG2 THR A 34 5.955 7.332 -13.125 1.00 0.00 C ATOM 0 H THR A 34 8.217 4.880 -10.297 1.00 0.00 H new ATOM 0 HA THR A 34 6.873 4.702 -12.863 1.00 0.00 H new ATOM 0 HB THR A 34 6.619 7.135 -11.086 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.308 6.647 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.218 8.105 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.887 7.799 -13.444 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.581 6.688 -13.921 1.00 0.00 H new ATOM 495 N VAL A 35 9.034 5.605 -13.737 1.00 0.00 N ATOM 496 CA VAL A 35 10.194 6.203 -14.419 1.00 0.00 C ATOM 497 C VAL A 35 9.842 7.569 -15.016 1.00 0.00 C ATOM 498 O VAL A 35 8.794 7.736 -15.646 1.00 0.00 O ATOM 499 CB VAL A 35 10.723 5.266 -15.526 1.00 0.00 C ATOM 500 CG1 VAL A 35 11.876 5.870 -16.342 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.270 3.971 -14.921 1.00 0.00 C ATOM 0 H VAL A 35 8.609 4.846 -14.270 1.00 0.00 H new ATOM 0 HA VAL A 35 10.976 6.344 -13.673 1.00 0.00 H new ATOM 0 HB VAL A 35 9.866 5.094 -16.177 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.197 5.157 -17.101 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.538 6.787 -16.825 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.712 6.095 -15.679 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.638 3.324 -15.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.086 4.205 -14.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.476 3.460 -14.376 1.00 0.00 H new ATOM 511 N PHE A 36 10.783 8.506 -14.900 1.00 0.00 N ATOM 512 CA PHE A 36 10.781 9.817 -15.545 1.00 0.00 C ATOM 513 C PHE A 36 12.093 9.988 -16.336 1.00 0.00 C ATOM 514 O PHE A 36 13.171 10.104 -15.749 1.00 0.00 O ATOM 515 CB PHE A 36 10.607 10.916 -14.483 1.00 0.00 C ATOM 516 CG PHE A 36 9.366 10.791 -13.615 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.125 11.262 -14.085 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.453 10.218 -12.331 1.00 0.00 C ATOM 519 CE1 PHE A 36 6.979 11.161 -13.274 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.308 10.118 -11.521 1.00 0.00 C ATOM 521 CZ PHE A 36 7.071 10.590 -11.992 1.00 0.00 C ATOM 0 H PHE A 36 11.611 8.362 -14.322 1.00 0.00 H new ATOM 0 HA PHE A 36 9.947 9.898 -16.243 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.484 10.915 -13.836 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.583 11.883 -14.985 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.052 11.701 -15.069 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.403 9.854 -11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.028 11.522 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.379 9.679 -10.537 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.191 10.514 -11.370 1.00 0.00 H new ATOM 531 N GLU A 37 12.015 9.935 -17.672 1.00 0.00 N ATOM 532 CA GLU A 37 13.192 9.909 -18.567 1.00 0.00 C ATOM 533 C GLU A 37 13.861 11.281 -18.817 1.00 0.00 C ATOM 534 O GLU A 37 15.031 11.336 -19.199 1.00 0.00 O ATOM 535 CB GLU A 37 12.819 9.227 -19.898 1.00 0.00 C ATOM 536 CG GLU A 37 11.841 10.022 -20.773 1.00 0.00 C ATOM 537 CD GLU A 37 11.491 9.250 -22.060 1.00 0.00 C ATOM 538 OE1 GLU A 37 10.519 8.454 -22.050 1.00 0.00 O1- ATOM 539 OE2 GLU A 37 12.172 9.443 -23.098 1.00 0.00 O ATOM 0 H GLU A 37 11.127 9.909 -18.172 1.00 0.00 H new ATOM 0 HA GLU A 37 13.951 9.330 -18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.731 9.048 -20.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.382 8.252 -19.681 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.930 10.228 -20.210 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.281 10.985 -21.032 1.00 0.00 H new ATOM 546 N ASP A 38 13.130 12.379 -18.590 1.00 0.00 N ATOM 547 CA ASP A 38 13.586 13.770 -18.760 1.00 0.00 C ATOM 548 C ASP A 38 12.935 14.683 -17.687 1.00 0.00 C ATOM 549 O ASP A 38 12.129 15.565 -18.014 1.00 0.00 O ATOM 550 CB ASP A 38 13.276 14.206 -20.208 1.00 0.00 C ATOM 551 CG ASP A 38 13.749 15.634 -20.539 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.877 16.013 -20.145 1.00 0.00 O1- ATOM 553 OD2 ASP A 38 13.011 16.361 -21.248 1.00 0.00 O ATOM 0 H ASP A 38 12.163 12.324 -18.269 1.00 0.00 H new ATOM 0 HA ASP A 38 14.662 13.855 -18.608 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.749 13.507 -20.898 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.201 14.141 -20.375 1.00 0.00 H new ATOM 558 N PRO A 39 13.188 14.419 -16.387 1.00 0.00 N ATOM 559 CA PRO A 39 12.480 15.046 -15.270 1.00 0.00 C ATOM 560 C PRO A 39 12.857 16.513 -15.002 1.00 0.00 C ATOM 561 O PRO A 39 13.939 16.997 -15.348 1.00 0.00 O ATOM 562 CB PRO A 39 12.829 14.180 -14.054 1.00 0.00 C ATOM 563 CG PRO A 39 14.237 13.678 -14.371 1.00 0.00 C ATOM 564 CD PRO A 39 14.176 13.473 -15.882 1.00 0.00 C ATOM 0 HA PRO A 39 11.415 15.090 -15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.807 14.757 -13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.126 13.356 -13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.000 14.403 -14.089 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.467 12.752 -13.844 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.151 13.649 -16.337 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.892 12.449 -16.124 1.00 0.00 H new ATOM 572 N GLU A 40 11.972 17.187 -14.270 1.00 0.00 N ATOM 573 CA GLU A 40 12.143 18.520 -13.679 1.00 0.00 C ATOM 574 C GLU A 40 11.630 18.505 -12.221 1.00 0.00 C ATOM 575 O GLU A 40 11.027 17.524 -11.778 1.00 0.00 O ATOM 576 CB GLU A 40 11.390 19.580 -14.506 1.00 0.00 C ATOM 577 CG GLU A 40 11.907 19.720 -15.944 1.00 0.00 C ATOM 578 CD GLU A 40 11.235 20.910 -16.654 1.00 0.00 C ATOM 579 OE1 GLU A 40 10.158 20.729 -17.271 1.00 0.00 O ATOM 580 OE2 GLU A 40 11.778 22.040 -16.601 1.00 0.00 O1- ATOM 0 H GLU A 40 11.055 16.794 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 40 13.202 18.780 -13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.331 19.322 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.471 20.544 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.988 19.860 -15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.709 18.802 -16.497 1.00 0.00 H new ATOM 587 N LEU A 41 11.863 19.583 -11.455 1.00 0.00 N ATOM 588 CA LEU A 41 11.552 19.664 -10.011 1.00 0.00 C ATOM 589 C LEU A 41 10.141 19.145 -9.670 1.00 0.00 C ATOM 590 O LEU A 41 9.995 18.298 -8.793 1.00 0.00 O ATOM 591 CB LEU A 41 11.765 21.123 -9.551 1.00 0.00 C ATOM 592 CG LEU A 41 11.946 21.368 -8.037 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.067 22.873 -7.805 1.00 0.00 C ATOM 594 CD2 LEU A 41 10.804 20.886 -7.143 1.00 0.00 C ATOM 0 H LEU A 41 12.279 20.438 -11.823 1.00 0.00 H new ATOM 0 HA LEU A 41 12.228 19.005 -9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.644 21.514 -10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.912 21.711 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 41 12.830 20.792 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.196 23.068 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.929 23.257 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.163 23.369 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.038 21.109 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.882 21.394 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.677 19.810 -7.264 1.00 0.00 H new ATOM 606 N SER A 42 9.112 19.586 -10.398 1.00 0.00 N ATOM 607 CA SER A 42 7.706 19.197 -10.178 1.00 0.00 C ATOM 608 C SER A 42 7.422 17.688 -10.293 1.00 0.00 C ATOM 609 O SER A 42 6.403 17.231 -9.772 1.00 0.00 O ATOM 610 CB SER A 42 6.796 19.941 -11.167 1.00 0.00 C ATOM 611 OG SER A 42 7.023 21.342 -11.130 1.00 0.00 O ATOM 0 H SER A 42 9.229 20.237 -11.174 1.00 0.00 H new ATOM 0 HA SER A 42 7.496 19.473 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.973 19.569 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.753 19.734 -10.929 1.00 0.00 H new ATOM 0 HG SER A 42 6.430 21.786 -11.771 1.00 0.00 H new ATOM 617 N ASP A 43 8.292 16.901 -10.936 1.00 0.00 N ATOM 618 CA ASP A 43 8.180 15.435 -10.969 1.00 0.00 C ATOM 619 C ASP A 43 8.693 14.791 -9.666 1.00 0.00 C ATOM 620 O ASP A 43 8.120 13.808 -9.197 1.00 0.00 O ATOM 621 CB ASP A 43 8.950 14.859 -12.164 1.00 0.00 C ATOM 622 CG ASP A 43 8.441 15.407 -13.508 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.237 15.229 -13.822 1.00 0.00 O ATOM 624 OD2 ASP A 43 9.250 15.998 -14.265 1.00 0.00 O1- ATOM 0 H ASP A 43 9.096 17.262 -11.450 1.00 0.00 H new ATOM 0 HA ASP A 43 7.121 15.198 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.009 15.093 -12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.861 13.773 -12.161 1.00 0.00 H new ATOM 629 N TRP A 44 9.742 15.365 -9.064 1.00 0.00 N ATOM 630 CA TRP A 44 10.317 14.944 -7.778 1.00 0.00 C ATOM 631 C TRP A 44 9.504 15.446 -6.577 1.00 0.00 C ATOM 632 O TRP A 44 9.312 14.729 -5.592 1.00 0.00 O ATOM 633 CB TRP A 44 11.763 15.455 -7.725 1.00 0.00 C ATOM 634 CG TRP A 44 12.567 15.064 -6.530 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.491 15.618 -5.298 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.596 14.033 -6.450 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.388 14.982 -4.462 1.00 0.00 N ATOM 638 CE2 TRP A 44 14.101 14.005 -5.121 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.145 13.111 -7.365 1.00 0.00 C ATOM 640 CZ2 TRP A 44 15.093 13.101 -4.726 1.00 0.00 C ATOM 641 CZ3 TRP A 44 15.116 12.174 -6.964 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.603 12.177 -5.649 1.00 0.00 C ATOM 0 H TRP A 44 10.231 16.162 -9.471 1.00 0.00 H new ATOM 0 HA TRP A 44 10.292 13.856 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.282 15.101 -8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.742 16.543 -7.780 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.835 16.427 -5.014 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.508 15.209 -3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.814 13.124 -8.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.465 13.115 -3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.488 11.449 -7.673 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.365 11.473 -5.349 1.00 0.00 H new ATOM 653 N LEU A 45 8.981 16.670 -6.691 1.00 0.00 N ATOM 654 CA LEU A 45 8.240 17.442 -5.689 1.00 0.00 C ATOM 655 C LEU A 45 7.254 16.643 -4.796 1.00 0.00 C ATOM 656 O LEU A 45 7.360 16.782 -3.573 1.00 0.00 O ATOM 657 CB LEU A 45 7.589 18.616 -6.456 1.00 0.00 C ATOM 658 CG LEU A 45 6.749 19.610 -5.642 1.00 0.00 C ATOM 659 CD1 LEU A 45 7.588 20.326 -4.585 1.00 0.00 C ATOM 660 CD2 LEU A 45 6.159 20.670 -6.573 1.00 0.00 C ATOM 0 H LEU A 45 9.073 17.192 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 45 8.934 17.798 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.382 19.174 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.954 18.198 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 45 5.962 19.041 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.958 21.021 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.012 19.593 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.394 20.876 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.563 21.374 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.966 21.205 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.526 20.188 -7.318 1.00 0.00 H new ATOM 672 N PRO A 46 6.337 15.795 -5.318 1.00 0.00 N ATOM 673 CA PRO A 46 5.362 15.072 -4.490 1.00 0.00 C ATOM 674 C PRO A 46 5.921 13.854 -3.728 1.00 0.00 C ATOM 675 O PRO A 46 5.272 13.374 -2.797 1.00 0.00 O ATOM 676 CB PRO A 46 4.256 14.645 -5.462 1.00 0.00 C ATOM 677 CG PRO A 46 5.000 14.459 -6.779 1.00 0.00 C ATOM 678 CD PRO A 46 6.027 15.586 -6.730 1.00 0.00 C ATOM 0 HA PRO A 46 5.016 15.727 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.771 13.723 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.477 15.403 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.473 13.479 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.336 14.550 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.924 15.320 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.628 16.495 -7.180 1.00 0.00 H new ATOM 686 N TYR A 47 7.106 13.336 -4.081 1.00 0.00 N ATOM 687 CA TYR A 47 7.673 12.122 -3.464 1.00 0.00 C ATOM 688 C TYR A 47 8.449 12.370 -2.156 1.00 0.00 C ATOM 689 O TYR A 47 8.886 11.413 -1.520 1.00 0.00 O ATOM 690 CB TYR A 47 8.551 11.378 -4.477 1.00 0.00 C ATOM 691 CG TYR A 47 7.784 10.736 -5.615 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.204 9.464 -5.435 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.659 11.399 -6.848 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.498 8.857 -6.492 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.960 10.792 -7.909 1.00 0.00 C ATOM 696 CZ TYR A 47 6.375 9.520 -7.734 1.00 0.00 C ATOM 697 OH TYR A 47 5.704 8.936 -8.764 1.00 0.00 O ATOM 0 H TYR A 47 7.701 13.745 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 47 6.819 11.507 -3.180 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.277 12.077 -4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.115 10.606 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.301 8.955 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.100 12.376 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.050 7.884 -6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.872 11.301 -8.858 1.00 0.00 H new ATOM 0 HH TYR A 47 5.716 9.532 -9.542 1.00 0.00 H new ATOM 707 N GLN A 48 8.584 13.622 -1.705 1.00 0.00 N ATOM 708 CA GLN A 48 9.239 13.966 -0.429 1.00 0.00 C ATOM 709 C GLN A 48 8.582 13.291 0.797 1.00 0.00 C ATOM 710 O GLN A 48 9.269 12.911 1.742 1.00 0.00 O ATOM 711 CB GLN A 48 9.245 15.491 -0.255 1.00 0.00 C ATOM 712 CG GLN A 48 10.094 16.211 -1.314 1.00 0.00 C ATOM 713 CD GLN A 48 9.992 17.725 -1.155 1.00 0.00 C ATOM 714 OE1 GLN A 48 10.814 18.370 -0.518 1.00 0.00 O ATOM 715 NE2 GLN A 48 8.965 18.341 -1.699 1.00 0.00 N ATOM 0 H GLN A 48 8.240 14.435 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 48 10.259 13.584 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.221 15.861 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.625 15.737 0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.135 15.901 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.761 15.923 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.276 17.810 -2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.858 19.349 -1.588 1.00 0.00 H new ATOM 724 N ASP A 49 7.258 13.090 0.771 1.00 0.00 N ATOM 725 CA ASP A 49 6.507 12.371 1.816 1.00 0.00 C ATOM 726 C ASP A 49 6.647 10.832 1.729 1.00 0.00 C ATOM 727 O ASP A 49 6.163 10.099 2.595 1.00 0.00 O ATOM 728 CB ASP A 49 5.033 12.792 1.712 1.00 0.00 C ATOM 729 CG ASP A 49 4.181 12.326 2.905 1.00 0.00 C ATOM 730 OD1 ASP A 49 4.498 12.702 4.060 1.00 0.00 O1- ATOM 731 OD2 ASP A 49 3.158 11.632 2.686 1.00 0.00 O ATOM 0 H ASP A 49 6.666 13.427 0.012 1.00 0.00 H new ATOM 0 HA ASP A 49 6.925 12.642 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.977 13.878 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.611 12.387 0.793 1.00 0.00 H new ATOM 736 N LYS A 50 7.314 10.343 0.676 1.00 0.00 N ATOM 737 CA LYS A 50 7.410 8.943 0.238 1.00 0.00 C ATOM 738 C LYS A 50 8.881 8.600 -0.068 1.00 0.00 C ATOM 739 O LYS A 50 9.758 8.923 0.739 1.00 0.00 O ATOM 740 CB LYS A 50 6.438 8.736 -0.947 1.00 0.00 C ATOM 741 CG LYS A 50 4.966 8.988 -0.555 1.00 0.00 C ATOM 742 CD LYS A 50 3.998 8.906 -1.741 1.00 0.00 C ATOM 743 CE LYS A 50 4.178 10.085 -2.711 1.00 0.00 C ATOM 744 NZ LYS A 50 3.161 10.044 -3.794 1.00 0.00 N1+ ATOM 0 H LYS A 50 7.841 10.962 0.060 1.00 0.00 H new ATOM 0 HA LYS A 50 7.105 8.246 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.714 9.407 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.541 7.718 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.668 8.259 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.884 9.973 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.157 7.969 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.972 8.893 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.096 11.025 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.178 10.054 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.261 10.886 -4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.300 9.189 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.209 10.028 -3.376 1.00 0.00 H new ATOM 758 N TYR A 51 9.161 7.932 -1.192 1.00 0.00 N ATOM 759 CA TYR A 51 10.490 7.422 -1.532 1.00 0.00 C ATOM 760 C TYR A 51 10.817 7.607 -3.023 1.00 0.00 C ATOM 761 O TYR A 51 9.929 7.746 -3.869 1.00 0.00 O ATOM 762 CB TYR A 51 10.611 5.934 -1.164 1.00 0.00 C ATOM 763 CG TYR A 51 9.940 5.450 0.115 1.00 0.00 C ATOM 764 CD1 TYR A 51 8.550 5.213 0.135 1.00 0.00 C ATOM 765 CD2 TYR A 51 10.719 5.134 1.245 1.00 0.00 C ATOM 766 CE1 TYR A 51 7.939 4.675 1.285 1.00 0.00 C ATOM 767 CE2 TYR A 51 10.118 4.562 2.381 1.00 0.00 C ATOM 768 CZ TYR A 51 8.726 4.327 2.402 1.00 0.00 C ATOM 769 OH TYR A 51 8.145 3.737 3.481 1.00 0.00 O ATOM 0 H TYR A 51 8.457 7.728 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 51 11.208 8.003 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.206 5.353 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.672 5.694 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.952 5.445 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.781 5.331 1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.869 4.529 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.722 4.302 3.238 1.00 0.00 H new ATOM 0 HH TYR A 51 8.680 2.965 3.759 1.00 0.00 H new ATOM 779 N VAL A 52 12.111 7.591 -3.342 1.00 0.00 N ATOM 780 CA VAL A 52 12.658 7.893 -4.678 1.00 0.00 C ATOM 781 C VAL A 52 13.898 7.047 -4.993 1.00 0.00 C ATOM 782 O VAL A 52 14.420 6.360 -4.118 1.00 0.00 O ATOM 783 CB VAL A 52 12.981 9.394 -4.823 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.749 10.290 -4.663 1.00 0.00 C ATOM 785 CG2 VAL A 52 14.024 9.861 -3.817 1.00 0.00 C ATOM 0 H VAL A 52 12.835 7.361 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 52 11.885 7.634 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 52 13.369 9.490 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.041 11.334 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.012 10.035 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.315 10.139 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.217 10.924 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.655 9.692 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.948 9.302 -3.965 1.00 0.00 H new ATOM 795 N LEU A 53 14.378 7.078 -6.236 1.00 0.00 N ATOM 796 CA LEU A 53 15.609 6.419 -6.687 1.00 0.00 C ATOM 797 C LEU A 53 16.136 7.086 -7.964 1.00 0.00 C ATOM 798 O LEU A 53 15.376 7.610 -8.783 1.00 0.00 O ATOM 799 CB LEU A 53 15.315 4.904 -6.781 1.00 0.00 C ATOM 800 CG LEU A 53 16.148 3.883 -7.595 1.00 0.00 C ATOM 801 CD1 LEU A 53 16.002 4.001 -9.108 1.00 0.00 C ATOM 802 CD2 LEU A 53 17.622 3.809 -7.231 1.00 0.00 C ATOM 0 H LEU A 53 13.904 7.581 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 53 16.433 6.534 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.312 4.536 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.294 4.820 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 53 15.689 2.944 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.621 3.247 -9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.959 3.848 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.321 4.993 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.115 3.066 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.085 4.783 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.724 3.526 -6.183 1.00 0.00 H new ATOM 814 N VAL A 54 17.459 7.071 -8.110 1.00 0.00 N ATOM 815 CA VAL A 54 18.214 7.810 -9.129 1.00 0.00 C ATOM 816 C VAL A 54 18.940 6.830 -10.048 1.00 0.00 C ATOM 817 O VAL A 54 19.572 5.891 -9.555 1.00 0.00 O ATOM 818 CB VAL A 54 19.249 8.714 -8.436 1.00 0.00 C ATOM 819 CG1 VAL A 54 19.983 9.609 -9.437 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.622 9.609 -7.355 1.00 0.00 C ATOM 0 H VAL A 54 18.063 6.522 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 54 17.526 8.416 -9.718 1.00 0.00 H new ATOM 0 HB VAL A 54 19.956 8.032 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.705 10.231 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.505 8.988 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.263 10.246 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.397 10.225 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.867 10.251 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.158 8.986 -6.591 1.00 0.00 H new ATOM 830 N VAL A 55 18.892 7.064 -11.365 1.00 0.00 N ATOM 831 CA VAL A 55 19.622 6.275 -12.378 1.00 0.00 C ATOM 832 C VAL A 55 20.277 7.218 -13.393 1.00 0.00 C ATOM 833 O VAL A 55 19.641 7.658 -14.351 1.00 0.00 O ATOM 834 CB VAL A 55 18.742 5.206 -13.053 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.650 4.151 -13.694 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.821 4.463 -12.075 1.00 0.00 C ATOM 0 H VAL A 55 18.337 7.819 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 55 20.406 5.715 -11.868 1.00 0.00 H new ATOM 0 HB VAL A 55 18.121 5.733 -13.777 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.038 3.388 -14.175 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.290 4.625 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.269 3.688 -12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.231 3.726 -12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.424 3.959 -11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.154 5.176 -11.591 1.00 0.00 H new ATOM 846 N THR A 56 21.563 7.531 -13.195 1.00 0.00 N ATOM 847 CA THR A 56 22.249 8.610 -13.943 1.00 0.00 C ATOM 848 C THR A 56 23.679 8.247 -14.376 1.00 0.00 C ATOM 849 O THR A 56 24.348 7.447 -13.720 1.00 0.00 O ATOM 850 CB THR A 56 22.254 9.871 -13.052 1.00 0.00 C ATOM 851 OG1 THR A 56 20.923 10.261 -12.805 1.00 0.00 O ATOM 852 CG2 THR A 56 22.935 11.105 -13.637 1.00 0.00 C ATOM 0 H THR A 56 22.159 7.053 -12.520 1.00 0.00 H new ATOM 0 HA THR A 56 21.704 8.781 -14.871 1.00 0.00 H new ATOM 0 HB THR A 56 22.818 9.569 -12.170 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.909 10.957 -12.115 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.876 11.926 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.981 10.879 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.435 11.392 -14.562 1.00 0.00 H new ATOM 860 N SER A 57 24.162 8.856 -15.468 1.00 0.00 N ATOM 861 CA SER A 57 25.526 8.674 -16.002 1.00 0.00 C ATOM 862 C SER A 57 26.439 9.904 -15.794 1.00 0.00 C ATOM 863 O SER A 57 26.175 10.730 -14.919 1.00 0.00 O ATOM 864 CB SER A 57 25.425 8.235 -17.469 1.00 0.00 C ATOM 865 OG SER A 57 24.870 9.288 -18.235 1.00 0.00 O ATOM 0 H SER A 57 23.603 9.506 -16.021 1.00 0.00 H new ATOM 0 HA SER A 57 26.022 7.888 -15.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 26.412 7.973 -17.851 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.804 7.343 -17.552 1.00 0.00 H new ATOM 0 HG SER A 57 24.806 9.012 -19.173 1.00 0.00 H new ATOM 871 N THR A 58 27.525 10.030 -16.567 1.00 0.00 N ATOM 872 CA THR A 58 28.532 11.112 -16.486 1.00 0.00 C ATOM 873 C THR A 58 28.631 11.811 -17.852 1.00 0.00 C ATOM 874 O THR A 58 28.320 11.218 -18.884 1.00 0.00 O ATOM 875 CB THR A 58 29.887 10.545 -16.013 1.00 0.00 C ATOM 876 OG1 THR A 58 29.787 10.055 -14.694 1.00 0.00 O ATOM 877 CG2 THR A 58 31.040 11.553 -15.969 1.00 0.00 C ATOM 0 H THR A 58 27.741 9.355 -17.300 1.00 0.00 H new ATOM 0 HA THR A 58 28.229 11.856 -15.750 1.00 0.00 H new ATOM 0 HB THR A 58 30.109 9.779 -16.756 1.00 0.00 H new ATOM 0 HG1 THR A 58 30.583 9.525 -14.481 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.946 11.055 -15.624 1.00 0.00 H new ATOM 0 HG22 THR A 58 31.207 11.959 -16.967 1.00 0.00 H new ATOM 0 HG23 THR A 58 30.789 12.363 -15.285 1.00 0.00 H new ATOM 885 N THR A 59 28.986 13.099 -17.888 1.00 0.00 N ATOM 886 CA THR A 59 28.924 13.975 -19.083 1.00 0.00 C ATOM 887 C THR A 59 29.889 15.157 -18.880 1.00 0.00 C ATOM 888 O THR A 59 30.574 15.203 -17.867 1.00 0.00 O ATOM 889 CB THR A 59 27.475 14.483 -19.295 1.00 0.00 C ATOM 890 OG1 THR A 59 26.530 13.488 -18.980 1.00 0.00 O ATOM 891 CG2 THR A 59 27.115 14.854 -20.730 1.00 0.00 C ATOM 0 H THR A 59 29.337 13.586 -17.063 1.00 0.00 H new ATOM 0 HA THR A 59 29.219 13.415 -19.971 1.00 0.00 H new ATOM 0 HB THR A 59 27.444 15.362 -18.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 25.887 13.403 -19.715 1.00 0.00 H new ATOM 0 HG21 THR A 59 26.081 15.197 -20.769 1.00 0.00 H new ATOM 0 HG22 THR A 59 27.774 15.650 -21.076 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.232 13.981 -21.372 1.00 0.00 H new ATOM 930 N ASP A 63 30.924 16.086 -15.246 1.00 0.00 N ATOM 931 CA ASP A 63 29.599 16.509 -14.784 1.00 0.00 C ATOM 932 C ASP A 63 28.491 15.460 -15.074 1.00 0.00 C ATOM 933 O ASP A 63 28.788 14.280 -15.287 1.00 0.00 O ATOM 934 CB ASP A 63 29.294 17.874 -15.421 1.00 0.00 C ATOM 935 CG ASP A 63 28.345 18.677 -14.521 1.00 0.00 C ATOM 936 OD1 ASP A 63 28.798 19.175 -13.464 1.00 0.00 O ATOM 937 OD2 ASP A 63 27.146 18.784 -14.867 1.00 0.00 O1- ATOM 0 HA ASP A 63 29.608 16.599 -13.698 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.220 18.428 -15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.843 17.733 -16.403 1.00 0.00 H new ATOM 942 N LEU A 64 27.219 15.874 -15.115 1.00 0.00 N ATOM 943 CA LEU A 64 26.044 15.016 -15.305 1.00 0.00 C ATOM 944 C LEU A 64 25.212 15.371 -16.569 1.00 0.00 C ATOM 945 O LEU A 64 25.405 16.447 -17.150 1.00 0.00 O ATOM 946 CB LEU A 64 25.224 14.977 -13.995 1.00 0.00 C ATOM 947 CG LEU A 64 24.759 16.311 -13.372 1.00 0.00 C ATOM 948 CD1 LEU A 64 23.794 17.102 -14.256 1.00 0.00 C ATOM 949 CD2 LEU A 64 24.029 16.012 -12.062 1.00 0.00 C ATOM 0 H LEU A 64 26.970 16.858 -15.012 1.00 0.00 H new ATOM 0 HA LEU A 64 26.385 14.002 -15.516 1.00 0.00 H new ATOM 0 HB2 LEU A 64 24.337 14.371 -14.178 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.820 14.453 -13.248 1.00 0.00 H new ATOM 0 HG LEU A 64 25.656 16.914 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.512 18.026 -13.751 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.279 17.339 -15.203 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.902 16.505 -14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.695 16.946 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 64 23.166 15.377 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.705 15.500 -11.377 1.00 0.00 H new ATOM 961 N PRO A 65 24.330 14.466 -17.044 1.00 0.00 N ATOM 962 CA PRO A 65 23.605 14.597 -18.308 1.00 0.00 C ATOM 963 C PRO A 65 22.638 15.774 -18.329 1.00 0.00 C ATOM 964 O PRO A 65 21.928 16.036 -17.354 1.00 0.00 O ATOM 965 CB PRO A 65 22.852 13.275 -18.509 1.00 0.00 C ATOM 966 CG PRO A 65 23.665 12.292 -17.673 1.00 0.00 C ATOM 967 CD PRO A 65 24.039 13.162 -16.485 1.00 0.00 C ATOM 0 HA PRO A 65 24.311 14.797 -19.114 1.00 0.00 H new ATOM 0 HB2 PRO A 65 21.820 13.341 -18.165 1.00 0.00 H new ATOM 0 HB3 PRO A 65 22.820 12.983 -19.559 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.081 11.420 -17.378 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.541 11.923 -18.206 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.223 13.216 -15.764 1.00 0.00 H new ATOM 0 HD3 PRO A 65 24.903 12.758 -15.958 1.00 0.00 H new ATOM 975 N ASP A 66 22.522 16.440 -19.476 1.00 0.00 N ATOM 976 CA ASP A 66 21.619 17.584 -19.613 1.00 0.00 C ATOM 977 C ASP A 66 20.145 17.219 -19.339 1.00 0.00 C ATOM 978 O ASP A 66 19.391 18.036 -18.815 1.00 0.00 O ATOM 979 CB ASP A 66 21.800 18.218 -20.996 1.00 0.00 C ATOM 980 CG ASP A 66 21.011 19.530 -21.132 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.390 20.532 -20.478 1.00 0.00 O1- ATOM 982 OD2 ASP A 66 20.027 19.570 -21.908 1.00 0.00 O ATOM 0 H ASP A 66 23.040 16.209 -20.323 1.00 0.00 H new ATOM 0 HA ASP A 66 21.885 18.315 -18.849 1.00 0.00 H new ATOM 0 HB2 ASP A 66 22.858 18.411 -21.171 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.473 17.516 -21.763 1.00 0.00 H new ATOM 987 N SER A 67 19.770 15.959 -19.589 1.00 0.00 N ATOM 988 CA SER A 67 18.452 15.385 -19.266 1.00 0.00 C ATOM 989 C SER A 67 18.103 15.362 -17.761 1.00 0.00 C ATOM 990 O SER A 67 16.955 15.081 -17.422 1.00 0.00 O ATOM 991 CB SER A 67 18.351 13.954 -19.816 1.00 0.00 C ATOM 992 OG SER A 67 18.743 13.892 -21.179 1.00 0.00 O ATOM 0 H SER A 67 20.393 15.287 -20.036 1.00 0.00 H new ATOM 0 HA SER A 67 17.731 16.051 -19.741 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.982 13.290 -19.224 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.327 13.595 -19.714 1.00 0.00 H new ATOM 0 HG SER A 67 19.573 13.376 -21.258 1.00 0.00 H new ATOM 998 N ILE A 68 19.055 15.651 -16.857 1.00 0.00 N ATOM 999 CA ILE A 68 18.816 15.758 -15.401 1.00 0.00 C ATOM 1000 C ILE A 68 19.343 17.073 -14.793 1.00 0.00 C ATOM 1001 O ILE A 68 19.023 17.380 -13.646 1.00 0.00 O ATOM 1002 CB ILE A 68 19.303 14.485 -14.667 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.545 14.260 -13.340 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.824 14.486 -14.449 1.00 0.00 C ATOM 1005 CD1 ILE A 68 18.841 12.919 -12.655 1.00 0.00 C ATOM 0 H ILE A 68 20.027 15.820 -17.117 1.00 0.00 H new ATOM 0 HA ILE A 68 17.738 15.813 -15.249 1.00 0.00 H new ATOM 0 HB ILE A 68 19.074 13.644 -15.321 1.00 0.00 H new ATOM 0 HG12 ILE A 68 18.796 15.068 -12.652 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.474 14.326 -13.533 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.118 13.573 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.330 14.535 -15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.105 15.351 -13.848 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.266 12.847 -11.732 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.563 12.101 -13.320 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.905 12.854 -12.426 1.00 0.00 H new ATOM 1017 N VAL A 69 20.064 17.908 -15.553 1.00 0.00 N ATOM 1018 CA VAL A 69 20.430 19.281 -15.142 1.00 0.00 C ATOM 1019 C VAL A 69 19.231 20.074 -14.589 1.00 0.00 C ATOM 1020 O VAL A 69 19.339 20.549 -13.458 1.00 0.00 O ATOM 1021 CB VAL A 69 21.148 20.042 -16.283 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.299 21.547 -16.018 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.561 19.489 -16.484 1.00 0.00 C ATOM 0 H VAL A 69 20.414 17.654 -16.477 1.00 0.00 H new ATOM 0 HA VAL A 69 21.136 19.183 -14.318 1.00 0.00 H new ATOM 0 HB VAL A 69 20.519 19.898 -17.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 21.811 22.015 -16.859 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.313 21.996 -15.898 1.00 0.00 H new ATOM 0 HG13 VAL A 69 21.881 21.700 -15.109 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.054 20.034 -17.289 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.132 19.607 -15.563 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.505 18.432 -16.743 1.00 0.00 H new ATOM 1033 N PRO A 70 18.057 20.164 -15.255 1.00 0.00 N ATOM 1034 CA PRO A 70 16.912 20.919 -14.727 1.00 0.00 C ATOM 1035 C PRO A 70 16.218 20.255 -13.519 1.00 0.00 C ATOM 1036 O PRO A 70 15.298 20.842 -12.948 1.00 0.00 O ATOM 1037 CB PRO A 70 15.966 21.102 -15.919 1.00 0.00 C ATOM 1038 CG PRO A 70 16.226 19.860 -16.764 1.00 0.00 C ATOM 1039 CD PRO A 70 17.729 19.643 -16.580 1.00 0.00 C ATOM 0 HA PRO A 70 17.245 21.873 -14.317 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.925 21.162 -15.601 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.185 22.017 -16.470 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.647 19.004 -16.417 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.964 20.019 -17.810 1.00 0.00 H new ATOM 0 HD2 PRO A 70 17.982 18.585 -16.656 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.295 20.162 -17.353 1.00 0.00 H new ATOM 1047 N LEU A 71 16.668 19.067 -13.088 1.00 0.00 N ATOM 1048 CA LEU A 71 16.247 18.438 -11.835 1.00 0.00 C ATOM 1049 C LEU A 71 17.283 18.707 -10.735 1.00 0.00 C ATOM 1050 O LEU A 71 16.921 19.104 -9.630 1.00 0.00 O ATOM 1051 CB LEU A 71 16.016 16.926 -12.066 1.00 0.00 C ATOM 1052 CG LEU A 71 15.516 16.217 -10.793 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.159 16.744 -10.339 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.379 14.714 -11.011 1.00 0.00 C ATOM 0 H LEU A 71 17.345 18.511 -13.611 1.00 0.00 H new ATOM 0 HA LEU A 71 15.304 18.870 -11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.289 16.789 -12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.946 16.464 -12.397 1.00 0.00 H new ATOM 0 HG LEU A 71 16.264 16.422 -10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.846 16.215 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.236 17.810 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.424 16.584 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.024 14.244 -10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.666 14.526 -11.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.349 14.296 -11.281 1.00 0.00 H new ATOM 1066 N PHE A 72 18.572 18.571 -11.064 1.00 0.00 N ATOM 1067 CA PHE A 72 19.679 18.850 -10.161 1.00 0.00 C ATOM 1068 C PHE A 72 19.691 20.324 -9.720 1.00 0.00 C ATOM 1069 O PHE A 72 19.747 20.607 -8.525 1.00 0.00 O ATOM 1070 CB PHE A 72 20.962 18.419 -10.881 1.00 0.00 C ATOM 1071 CG PHE A 72 22.229 18.727 -10.118 1.00 0.00 C ATOM 1072 CD1 PHE A 72 22.724 17.834 -9.151 1.00 0.00 C ATOM 1073 CD2 PHE A 72 22.913 19.922 -10.384 1.00 0.00 C ATOM 1074 CE1 PHE A 72 23.895 18.153 -8.438 1.00 0.00 C ATOM 1075 CE2 PHE A 72 24.086 20.238 -9.677 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.574 19.356 -8.698 1.00 0.00 C ATOM 0 H PHE A 72 18.875 18.257 -11.986 1.00 0.00 H new ATOM 0 HA PHE A 72 19.582 18.289 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 72 20.917 17.347 -11.071 1.00 0.00 H new ATOM 0 HB3 PHE A 72 21.005 18.914 -11.851 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.207 16.906 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.537 20.602 -11.135 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.273 17.472 -7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.612 21.158 -9.886 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.469 19.602 -8.146 1.00 0.00 H new ATOM 1086 N GLN A 73 19.542 21.274 -10.656 1.00 0.00 N ATOM 1087 CA GLN A 73 19.423 22.701 -10.311 1.00 0.00 C ATOM 1088 C GLN A 73 18.156 22.988 -9.493 1.00 0.00 C ATOM 1089 O GLN A 73 18.226 23.680 -8.482 1.00 0.00 O ATOM 1090 CB GLN A 73 19.449 23.597 -11.564 1.00 0.00 C ATOM 1091 CG GLN A 73 20.711 23.489 -12.438 1.00 0.00 C ATOM 1092 CD GLN A 73 22.035 23.675 -11.700 1.00 0.00 C ATOM 1093 OE1 GLN A 73 22.171 24.438 -10.750 1.00 0.00 O ATOM 1094 NE2 GLN A 73 23.059 22.951 -12.095 1.00 0.00 N ATOM 0 H GLN A 73 19.501 21.081 -11.657 1.00 0.00 H new ATOM 0 HA GLN A 73 20.291 22.940 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.582 23.355 -12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 73 19.336 24.634 -11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.717 22.511 -12.919 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.648 24.234 -13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 73 22.958 22.313 -12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 73 23.954 23.028 -11.612 1.00 0.00 H new ATOM 1103 N GLY A 74 17.006 22.427 -9.885 1.00 0.00 N ATOM 1104 CA GLY A 74 15.705 22.699 -9.260 1.00 0.00 C ATOM 1105 C GLY A 74 15.630 22.257 -7.799 1.00 0.00 C ATOM 1106 O GLY A 74 15.208 23.034 -6.946 1.00 0.00 O ATOM 0 H GLY A 74 16.952 21.762 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.498 23.767 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.925 22.191 -9.826 1.00 0.00 H new ATOM 1110 N ILE A 75 16.097 21.045 -7.478 1.00 0.00 N ATOM 1111 CA ILE A 75 16.144 20.549 -6.093 1.00 0.00 C ATOM 1112 C ILE A 75 17.100 21.403 -5.245 1.00 0.00 C ATOM 1113 O ILE A 75 16.771 21.774 -4.116 1.00 0.00 O ATOM 1114 CB ILE A 75 16.549 19.054 -6.114 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.420 18.178 -6.709 1.00 0.00 C ATOM 1116 CG2 ILE A 75 16.955 18.553 -4.711 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.854 16.739 -7.014 1.00 0.00 C ATOM 0 H ILE A 75 16.452 20.381 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 75 15.162 20.633 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 75 17.423 18.964 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.583 18.156 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.058 18.641 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.232 17.500 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.804 19.133 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.116 18.671 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 75 15.012 16.185 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.671 16.751 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.189 16.257 -6.095 1.00 0.00 H new ATOM 1129 N LYS A 76 18.278 21.743 -5.788 1.00 0.00 N ATOM 1130 CA LYS A 76 19.299 22.565 -5.113 1.00 0.00 C ATOM 1131 C LYS A 76 18.801 23.986 -4.798 1.00 0.00 C ATOM 1132 O LYS A 76 18.996 24.483 -3.691 1.00 0.00 O ATOM 1133 CB LYS A 76 20.547 22.584 -6.011 1.00 0.00 C ATOM 1134 CG LYS A 76 21.757 23.288 -5.382 1.00 0.00 C ATOM 1135 CD LYS A 76 23.060 22.983 -6.142 1.00 0.00 C ATOM 1136 CE LYS A 76 23.025 23.265 -7.656 1.00 0.00 C ATOM 1137 NZ LYS A 76 22.908 24.718 -7.981 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.555 21.450 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 76 19.536 22.127 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.823 21.558 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.299 23.079 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.586 24.364 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.861 22.973 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.865 23.570 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.311 21.933 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.931 22.869 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.184 22.731 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.636 24.830 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.184 25.152 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.823 25.185 -7.817 1.00 0.00 H new ATOM 1151 N ASP A 77 18.145 24.618 -5.769 1.00 0.00 N ATOM 1152 CA ASP A 77 17.695 26.014 -5.714 1.00 0.00 C ATOM 1153 C ASP A 77 16.349 26.223 -4.999 1.00 0.00 C ATOM 1154 O ASP A 77 16.211 27.189 -4.244 1.00 0.00 O ATOM 1155 CB ASP A 77 17.569 26.510 -7.164 1.00 0.00 C ATOM 1156 CG ASP A 77 16.895 27.888 -7.264 1.00 0.00 C ATOM 1157 OD1 ASP A 77 17.607 28.920 -7.197 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 15.649 27.929 -7.411 1.00 0.00 O ATOM 0 H ASP A 77 17.902 24.160 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 77 18.429 26.570 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.561 26.562 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.995 25.786 -7.742 1.00 0.00 H new ATOM 1163 N SER A 78 15.381 25.319 -5.203 1.00 0.00 N ATOM 1164 CA SER A 78 13.985 25.533 -4.775 1.00 0.00 C ATOM 1165 C SER A 78 13.386 24.494 -3.807 1.00 0.00 C ATOM 1166 O SER A 78 12.210 24.616 -3.458 1.00 0.00 O ATOM 1167 CB SER A 78 13.112 25.762 -6.022 1.00 0.00 C ATOM 1168 OG SER A 78 13.237 27.095 -6.496 1.00 0.00 O ATOM 0 H SER A 78 15.538 24.424 -5.666 1.00 0.00 H new ATOM 0 HA SER A 78 13.998 26.424 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.404 25.065 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.069 25.554 -5.783 1.00 0.00 H new ATOM 0 HG SER A 78 14.174 27.278 -6.716 1.00 0.00 H new ATOM 1174 N LEU A 79 14.163 23.512 -3.318 1.00 0.00 N ATOM 1175 CA LEU A 79 13.738 22.625 -2.210 1.00 0.00 C ATOM 1176 C LEU A 79 14.600 22.861 -0.960 1.00 0.00 C ATOM 1177 O LEU A 79 14.051 23.071 0.120 1.00 0.00 O ATOM 1178 CB LEU A 79 13.733 21.135 -2.615 1.00 0.00 C ATOM 1179 CG LEU A 79 12.669 20.733 -3.653 1.00 0.00 C ATOM 1180 CD1 LEU A 79 12.732 19.221 -3.881 1.00 0.00 C ATOM 1181 CD2 LEU A 79 11.244 21.061 -3.209 1.00 0.00 C ATOM 0 H LEU A 79 15.097 23.308 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 79 12.707 22.885 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.716 20.881 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.586 20.533 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 79 12.891 21.301 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.980 18.932 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.722 18.949 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.539 18.703 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.542 20.753 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.020 20.530 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.153 22.134 -3.042 1.00 0.00 H new ATOM 1193 N GLY A 80 15.931 22.887 -1.106 1.00 0.00 N ATOM 1194 CA GLY A 80 16.907 23.308 -0.082 1.00 0.00 C ATOM 1195 C GLY A 80 17.063 22.425 1.172 1.00 0.00 C ATOM 1196 O GLY A 80 18.141 22.410 1.766 1.00 0.00 O ATOM 0 H GLY A 80 16.380 22.604 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.883 23.384 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.635 24.311 0.247 1.00 0.00 H new ATOM 1200 N PHE A 81 16.033 21.678 1.573 1.00 0.00 N ATOM 1201 CA PHE A 81 16.001 20.822 2.769 1.00 0.00 C ATOM 1202 C PHE A 81 14.967 19.692 2.588 1.00 0.00 C ATOM 1203 O PHE A 81 13.869 19.933 2.084 1.00 0.00 O ATOM 1204 CB PHE A 81 15.665 21.706 3.983 1.00 0.00 C ATOM 1205 CG PHE A 81 15.688 21.027 5.342 1.00 0.00 C ATOM 1206 CD1 PHE A 81 16.808 20.271 5.750 1.00 0.00 C ATOM 1207 CD2 PHE A 81 14.611 21.206 6.232 1.00 0.00 C ATOM 1208 CE1 PHE A 81 16.838 19.688 7.030 1.00 0.00 C ATOM 1209 CE2 PHE A 81 14.650 20.633 7.517 1.00 0.00 C ATOM 1210 CZ PHE A 81 15.763 19.873 7.917 1.00 0.00 C ATOM 0 H PHE A 81 15.157 21.649 1.052 1.00 0.00 H new ATOM 0 HA PHE A 81 16.970 20.349 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 81 16.369 22.538 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.673 22.132 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.643 20.140 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 81 13.752 21.785 5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 81 17.690 19.096 7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.823 20.777 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 81 15.792 19.433 8.903 1.00 0.00 H new ATOM 1220 N GLN A 82 15.324 18.461 2.977 1.00 0.00 N ATOM 1221 CA GLN A 82 14.570 17.228 2.691 1.00 0.00 C ATOM 1222 C GLN A 82 14.724 16.163 3.814 1.00 0.00 C ATOM 1223 O GLN A 82 15.152 15.033 3.560 1.00 0.00 O ATOM 1224 CB GLN A 82 14.974 16.738 1.274 1.00 0.00 C ATOM 1225 CG GLN A 82 13.842 16.982 0.266 1.00 0.00 C ATOM 1226 CD GLN A 82 14.245 16.652 -1.166 1.00 0.00 C ATOM 1227 OE1 GLN A 82 13.702 15.754 -1.785 1.00 0.00 O ATOM 1228 NE2 GLN A 82 15.198 17.338 -1.761 1.00 0.00 N ATOM 0 H GLN A 82 16.172 18.288 3.517 1.00 0.00 H new ATOM 0 HA GLN A 82 13.499 17.429 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.875 17.258 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.214 15.675 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.978 16.378 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.532 18.026 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.668 18.095 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.466 17.113 -2.719 1.00 0.00 H new ATOM 1237 N PRO A 83 14.351 16.478 5.076 1.00 0.00 N ATOM 1238 CA PRO A 83 14.544 15.605 6.249 1.00 0.00 C ATOM 1239 C PRO A 83 13.702 14.310 6.251 1.00 0.00 C ATOM 1240 O PRO A 83 13.833 13.483 7.155 1.00 0.00 O ATOM 1241 CB PRO A 83 14.188 16.484 7.454 1.00 0.00 C ATOM 1242 CG PRO A 83 13.134 17.431 6.889 1.00 0.00 C ATOM 1243 CD PRO A 83 13.657 17.696 5.480 1.00 0.00 C ATOM 0 HA PRO A 83 15.570 15.236 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.797 15.894 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.057 17.025 7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.144 16.976 6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.056 18.348 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.839 17.925 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.331 18.552 5.468 1.00 0.00 H new ATOM 1251 N ASN A 84 12.853 14.124 5.239 1.00 0.00 N ATOM 1252 CA ASN A 84 11.918 13.011 5.047 1.00 0.00 C ATOM 1253 C ASN A 84 12.193 12.196 3.763 1.00 0.00 C ATOM 1254 O ASN A 84 11.577 11.147 3.550 1.00 0.00 O ATOM 1255 CB ASN A 84 10.490 13.599 5.071 1.00 0.00 C ATOM 1256 CG ASN A 84 10.244 14.767 4.114 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.084 15.177 3.321 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.093 15.393 4.211 1.00 0.00 N ATOM 0 H ASN A 84 12.796 14.797 4.475 1.00 0.00 H new ATOM 0 HA ASN A 84 12.046 12.289 5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.784 12.803 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.269 13.930 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.907 16.210 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.386 15.062 4.867 1.00 0.00 H new ATOM 1265 N LEU A 85 13.133 12.641 2.920 1.00 0.00 N ATOM 1266 CA LEU A 85 13.491 11.979 1.665 1.00 0.00 C ATOM 1267 C LEU A 85 14.314 10.703 1.952 1.00 0.00 C ATOM 1268 O LEU A 85 15.396 10.778 2.536 1.00 0.00 O ATOM 1269 CB LEU A 85 14.250 13.000 0.791 1.00 0.00 C ATOM 1270 CG LEU A 85 14.413 12.687 -0.712 1.00 0.00 C ATOM 1271 CD1 LEU A 85 15.263 11.454 -1.001 1.00 0.00 C ATOM 1272 CD2 LEU A 85 13.060 12.537 -1.409 1.00 0.00 C ATOM 0 H LEU A 85 13.675 13.487 3.097 1.00 0.00 H new ATOM 0 HA LEU A 85 12.604 11.651 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.740 13.959 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.246 13.128 1.215 1.00 0.00 H new ATOM 0 HG LEU A 85 14.944 13.550 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.329 11.302 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.263 11.598 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.805 10.580 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.217 12.317 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.502 11.722 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.496 13.464 -1.311 1.00 0.00 H new ATOM 1284 N ARG A 86 13.828 9.536 1.506 1.00 0.00 N ATOM 1285 CA ARG A 86 14.519 8.234 1.562 1.00 0.00 C ATOM 1286 C ARG A 86 14.624 7.643 0.164 1.00 0.00 C ATOM 1287 O ARG A 86 13.697 7.769 -0.636 1.00 0.00 O ATOM 1288 CB ARG A 86 13.760 7.278 2.488 1.00 0.00 C ATOM 1289 CG ARG A 86 13.967 7.634 3.967 1.00 0.00 C ATOM 1290 CD ARG A 86 12.686 7.384 4.778 1.00 0.00 C ATOM 1291 NE ARG A 86 11.603 8.292 4.338 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.318 8.240 4.638 1.00 0.00 C ATOM 1293 NH1 ARG A 86 9.815 7.315 5.404 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.523 9.150 4.157 1.00 0.00 N ATOM 0 H ARG A 86 12.905 9.468 1.078 1.00 0.00 H new ATOM 0 HA ARG A 86 15.524 8.380 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.696 7.311 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.095 6.256 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.783 7.039 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.259 8.680 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.370 6.348 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.886 7.535 5.839 1.00 0.00 H new ATOM 0 HE ARG A 86 11.886 9.056 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.420 6.594 5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.816 7.311 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.895 9.888 3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.527 9.126 4.378 1.00 0.00 H new ATOM 1308 N TYR A 87 15.767 7.023 -0.130 1.00 0.00 N ATOM 1309 CA TYR A 87 16.098 6.631 -1.503 1.00 0.00 C ATOM 1310 C TYR A 87 17.223 5.600 -1.665 1.00 0.00 C ATOM 1311 O TYR A 87 17.651 4.963 -0.704 1.00 0.00 O ATOM 1312 CB TYR A 87 16.426 7.929 -2.269 1.00 0.00 C ATOM 1313 CG TYR A 87 17.761 8.555 -1.952 1.00 0.00 C ATOM 1314 CD1 TYR A 87 17.986 9.179 -0.709 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.772 8.506 -2.924 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.247 9.723 -0.416 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.027 9.070 -2.633 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.272 9.657 -1.377 1.00 0.00 C ATOM 1319 OH TYR A 87 21.502 10.134 -1.076 1.00 0.00 O ATOM 0 H TYR A 87 16.478 6.781 0.560 1.00 0.00 H new ATOM 0 HA TYR A 87 15.232 6.105 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.389 7.718 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.644 8.659 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.189 9.239 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.589 8.042 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.429 10.189 0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.808 9.053 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 87 22.153 9.793 -1.725 1.00 0.00 H new ATOM 1329 N GLY A 88 17.692 5.441 -2.903 1.00 0.00 N ATOM 1330 CA GLY A 88 18.873 4.684 -3.320 1.00 0.00 C ATOM 1331 C GLY A 88 19.387 5.208 -4.666 1.00 0.00 C ATOM 1332 O GLY A 88 18.717 6.026 -5.299 1.00 0.00 O ATOM 0 H GLY A 88 17.221 5.870 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.655 4.770 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.625 3.626 -3.404 1.00 0.00 H new ATOM 1336 N VAL A 89 20.570 4.771 -5.115 1.00 0.00 N ATOM 1337 CA VAL A 89 21.202 5.299 -6.342 1.00 0.00 C ATOM 1338 C VAL A 89 21.906 4.213 -7.140 1.00 0.00 C ATOM 1339 O VAL A 89 22.722 3.454 -6.620 1.00 0.00 O ATOM 1340 CB VAL A 89 22.246 6.404 -6.045 1.00 0.00 C ATOM 1341 CG1 VAL A 89 22.858 7.019 -7.315 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.628 7.546 -5.246 1.00 0.00 C ATOM 0 H VAL A 89 21.116 4.048 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 89 20.377 5.715 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 89 23.030 5.903 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.581 7.786 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.359 6.241 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.069 7.467 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.385 8.306 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.809 7.986 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.248 7.163 -4.299 1.00 0.00 H new ATOM 1352 N ILE A 90 21.636 4.220 -8.438 1.00 0.00 N ATOM 1353 CA ILE A 90 22.353 3.444 -9.442 1.00 0.00 C ATOM 1354 C ILE A 90 23.062 4.456 -10.358 1.00 0.00 C ATOM 1355 O ILE A 90 22.451 5.404 -10.848 1.00 0.00 O ATOM 1356 CB ILE A 90 21.376 2.530 -10.202 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.739 1.499 -9.241 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.131 1.850 -11.357 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.588 0.704 -9.853 1.00 0.00 C ATOM 0 H ILE A 90 20.886 4.786 -8.835 1.00 0.00 H new ATOM 0 HA ILE A 90 23.094 2.780 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 90 20.559 3.119 -10.619 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.510 0.804 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.376 2.020 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.449 1.199 -11.904 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.526 2.610 -12.031 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.954 1.258 -10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.197 0.004 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 90 18.796 1.388 -10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 90 19.948 0.152 -10.722 1.00 0.00 H new ATOM 1371 N ALA A 91 24.354 4.261 -10.603 1.00 0.00 N ATOM 1372 CA ALA A 91 25.147 5.088 -11.504 1.00 0.00 C ATOM 1373 C ALA A 91 25.817 4.222 -12.577 1.00 0.00 C ATOM 1374 O ALA A 91 26.059 3.030 -12.369 1.00 0.00 O ATOM 1375 CB ALA A 91 26.140 5.917 -10.686 1.00 0.00 C ATOM 0 H ALA A 91 24.889 3.508 -10.171 1.00 0.00 H new ATOM 0 HA ALA A 91 24.505 5.787 -12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.735 6.537 -11.356 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.595 6.555 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.798 5.250 -10.128 1.00 0.00 H new ATOM 1381 N LEU A 92 26.080 4.816 -13.742 1.00 0.00 N ATOM 1382 CA LEU A 92 26.514 4.089 -14.937 1.00 0.00 C ATOM 1383 C LEU A 92 27.546 4.882 -15.741 1.00 0.00 C ATOM 1384 O LEU A 92 27.394 6.082 -15.959 1.00 0.00 O ATOM 1385 CB LEU A 92 25.238 3.753 -15.746 1.00 0.00 C ATOM 1386 CG LEU A 92 25.446 2.943 -17.042 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.219 2.072 -17.322 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.623 3.849 -18.265 1.00 0.00 C ATOM 0 H LEU A 92 25.997 5.823 -13.884 1.00 0.00 H new ATOM 0 HA LEU A 92 27.030 3.167 -14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.559 3.197 -15.100 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.739 4.688 -16.003 1.00 0.00 H new ATOM 0 HG LEU A 92 26.344 2.344 -16.888 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.377 1.505 -18.239 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.065 1.383 -16.491 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.340 2.707 -17.435 1.00 0.00 H new ATOM 0 HD21 LEU A 92 25.766 3.236 -19.155 1.00 0.00 H new ATOM 0 HD22 LEU A 92 24.735 4.468 -18.391 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.494 4.489 -18.121 1.00 0.00 H new ATOM 1400 N GLY A 93 28.571 4.198 -16.235 1.00 0.00 N ATOM 1401 CA GLY A 93 29.545 4.774 -17.158 1.00 0.00 C ATOM 1402 C GLY A 93 30.597 3.750 -17.577 1.00 0.00 C ATOM 1403 O GLY A 93 30.261 2.592 -17.822 1.00 0.00 O ATOM 0 H GLY A 93 28.752 3.221 -16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 93 29.031 5.150 -18.042 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.034 5.626 -16.686 1.00 0.00 H new ATOM 1407 N ASP A 94 31.865 4.156 -17.655 1.00 0.00 N ATOM 1408 CA ASP A 94 32.992 3.294 -18.027 1.00 0.00 C ATOM 1409 C ASP A 94 34.257 3.674 -17.232 1.00 0.00 C ATOM 1410 O ASP A 94 34.720 4.817 -17.282 1.00 0.00 O ATOM 1411 CB ASP A 94 33.219 3.400 -19.545 1.00 0.00 C ATOM 1412 CG ASP A 94 34.200 2.355 -20.114 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.059 1.821 -19.372 1.00 0.00 O ATOM 1414 OD2 ASP A 94 34.138 2.087 -21.335 1.00 0.00 O1- ATOM 0 H ASP A 94 32.146 5.116 -17.457 1.00 0.00 H new ATOM 0 HA ASP A 94 32.763 2.258 -17.778 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.260 3.295 -20.052 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.594 4.397 -19.776 1.00 0.00 H new ATOM 1419 N SER A 95 34.822 2.711 -16.497 1.00 0.00 N ATOM 1420 CA SER A 95 36.071 2.861 -15.731 1.00 0.00 C ATOM 1421 C SER A 95 37.298 3.211 -16.592 1.00 0.00 C ATOM 1422 O SER A 95 38.340 3.588 -16.052 1.00 0.00 O ATOM 1423 CB SER A 95 36.345 1.598 -14.908 1.00 0.00 C ATOM 1424 OG SER A 95 36.530 0.462 -15.734 1.00 0.00 O ATOM 0 H SER A 95 34.415 1.779 -16.414 1.00 0.00 H new ATOM 0 HA SER A 95 35.915 3.713 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 95 37.233 1.750 -14.294 1.00 0.00 H new ATOM 0 HB3 SER A 95 35.513 1.420 -14.227 1.00 0.00 H new ATOM 0 HG SER A 95 36.056 -0.304 -15.348 1.00 0.00 H new ATOM 1430 N SER A 96 37.172 3.155 -17.924 1.00 0.00 N ATOM 1431 CA SER A 96 38.159 3.653 -18.896 1.00 0.00 C ATOM 1432 C SER A 96 38.478 5.155 -18.781 1.00 0.00 C ATOM 1433 O SER A 96 39.465 5.606 -19.367 1.00 0.00 O ATOM 1434 CB SER A 96 37.673 3.389 -20.329 1.00 0.00 C ATOM 1435 OG SER A 96 37.390 2.020 -20.522 1.00 0.00 O ATOM 0 H SER A 96 36.351 2.748 -18.372 1.00 0.00 H new ATOM 0 HA SER A 96 39.074 3.107 -18.664 1.00 0.00 H new ATOM 0 HB2 SER A 96 36.780 3.981 -20.529 1.00 0.00 H new ATOM 0 HB3 SER A 96 38.434 3.711 -21.040 1.00 0.00 H new ATOM 0 HG SER A 96 36.585 1.778 -20.018 1.00 0.00 H new ATOM 1441 N TYR A 97 37.677 5.931 -18.038 1.00 0.00 N ATOM 1442 CA TYR A 97 37.791 7.391 -17.930 1.00 0.00 C ATOM 1443 C TYR A 97 37.856 7.852 -16.467 1.00 0.00 C ATOM 1444 O TYR A 97 37.109 7.388 -15.603 1.00 0.00 O ATOM 1445 CB TYR A 97 36.612 8.034 -18.670 1.00 0.00 C ATOM 1446 CG TYR A 97 36.420 7.574 -20.102 1.00 0.00 C ATOM 1447 CD1 TYR A 97 37.335 7.962 -21.104 1.00 0.00 C ATOM 1448 CD2 TYR A 97 35.332 6.740 -20.433 1.00 0.00 C ATOM 1449 CE1 TYR A 97 37.165 7.514 -22.428 1.00 0.00 C ATOM 1450 CE2 TYR A 97 35.163 6.290 -21.756 1.00 0.00 C ATOM 1451 CZ TYR A 97 36.079 6.676 -22.757 1.00 0.00 C ATOM 1452 OH TYR A 97 35.913 6.230 -24.032 1.00 0.00 O ATOM 0 H TYR A 97 36.912 5.550 -17.481 1.00 0.00 H new ATOM 0 HA TYR A 97 38.726 7.710 -18.391 1.00 0.00 H new ATOM 0 HB2 TYR A 97 35.698 7.827 -18.113 1.00 0.00 H new ATOM 0 HB3 TYR A 97 36.749 9.115 -18.668 1.00 0.00 H new ATOM 0 HD1 TYR A 97 38.167 8.604 -20.855 1.00 0.00 H new ATOM 0 HD2 TYR A 97 34.627 6.446 -19.670 1.00 0.00 H new ATOM 0 HE1 TYR A 97 37.867 7.812 -23.193 1.00 0.00 H new ATOM 0 HE2 TYR A 97 34.331 5.648 -22.005 1.00 0.00 H new ATOM 0 HH TYR A 97 35.115 5.663 -24.079 1.00 0.00 H new ATOM 1462 N VAL A 98 38.744 8.821 -16.223 1.00 0.00 N ATOM 1463 CA VAL A 98 39.185 9.299 -14.898 1.00 0.00 C ATOM 1464 C VAL A 98 38.109 9.717 -13.885 1.00 0.00 C ATOM 1465 O VAL A 98 38.354 9.601 -12.683 1.00 0.00 O ATOM 1466 CB VAL A 98 40.234 10.419 -15.049 1.00 0.00 C ATOM 1467 CG1 VAL A 98 41.468 9.942 -15.829 1.00 0.00 C ATOM 1468 CG2 VAL A 98 39.686 11.688 -15.718 1.00 0.00 C ATOM 0 H VAL A 98 39.203 9.324 -16.983 1.00 0.00 H new ATOM 0 HA VAL A 98 39.610 8.401 -14.451 1.00 0.00 H new ATOM 0 HB VAL A 98 40.516 10.673 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 98 42.183 10.760 -15.914 1.00 0.00 H new ATOM 0 HG12 VAL A 98 41.931 9.108 -15.302 1.00 0.00 H new ATOM 0 HG13 VAL A 98 41.166 9.619 -16.825 1.00 0.00 H new ATOM 0 HG21 VAL A 98 40.479 12.432 -15.791 1.00 0.00 H new ATOM 0 HG22 VAL A 98 39.323 11.445 -16.717 1.00 0.00 H new ATOM 0 HG23 VAL A 98 38.866 12.089 -15.122 1.00 0.00 H new ATOM 1478 N ASN A 99 36.925 10.172 -14.321 1.00 0.00 N ATOM 1479 CA ASN A 99 35.851 10.589 -13.397 1.00 0.00 C ATOM 1480 C ASN A 99 34.892 9.444 -13.020 1.00 0.00 C ATOM 1481 O ASN A 99 34.095 9.601 -12.096 1.00 0.00 O ATOM 1482 CB ASN A 99 35.027 11.745 -14.002 1.00 0.00 C ATOM 1483 CG ASN A 99 35.873 12.856 -14.604 1.00 0.00 C ATOM 1484 OD1 ASN A 99 36.384 13.723 -13.912 1.00 0.00 O ATOM 1485 ND2 ASN A 99 36.028 12.866 -15.910 1.00 0.00 N ATOM 0 H ASN A 99 36.683 10.262 -15.308 1.00 0.00 H new ATOM 0 HA ASN A 99 36.356 10.914 -12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 99 34.369 11.344 -14.773 1.00 0.00 H new ATOM 0 HB3 ASN A 99 34.388 12.168 -13.226 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.579 13.602 -16.353 1.00 0.00 H new ATOM 0 HD22 ASN A 99 35.598 12.138 -16.480 1.00 0.00 H new ATOM 1492 N PHE A 100 34.932 8.321 -13.750 1.00 0.00 N ATOM 1493 CA PHE A 100 33.955 7.221 -13.678 1.00 0.00 C ATOM 1494 C PHE A 100 32.507 7.725 -13.431 1.00 0.00 C ATOM 1495 O PHE A 100 32.030 8.594 -14.161 1.00 0.00 O ATOM 1496 CB PHE A 100 34.484 6.146 -12.707 1.00 0.00 C ATOM 1497 CG PHE A 100 33.690 4.849 -12.647 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.169 4.257 -13.818 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.476 4.225 -11.404 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.438 3.059 -13.743 1.00 0.00 C ATOM 1501 CE2 PHE A 100 32.739 3.032 -11.329 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.211 2.453 -12.495 1.00 0.00 C ATOM 0 H PHE A 100 35.671 8.145 -14.431 1.00 0.00 H new ATOM 0 HA PHE A 100 33.858 6.731 -14.647 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.510 5.907 -12.986 1.00 0.00 H new ATOM 0 HB3 PHE A 100 34.517 6.575 -11.705 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.333 4.727 -14.776 1.00 0.00 H new ATOM 0 HD2 PHE A 100 33.880 4.665 -10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.051 2.604 -14.643 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.578 2.558 -10.372 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.632 1.544 -12.433 1.00 0.00 H new ATOM 1512 N CYS A 101 31.808 7.245 -12.401 1.00 0.00 N ATOM 1513 CA CYS A 101 30.407 7.581 -12.108 1.00 0.00 C ATOM 1514 C CYS A 101 30.167 8.965 -11.452 1.00 0.00 C ATOM 1515 O CYS A 101 29.121 9.161 -10.828 1.00 0.00 O ATOM 1516 CB CYS A 101 29.826 6.436 -11.257 1.00 0.00 C ATOM 1517 SG CYS A 101 29.612 4.932 -12.265 1.00 0.00 S ATOM 0 H CYS A 101 32.209 6.593 -11.727 1.00 0.00 H new ATOM 0 HA CYS A 101 29.890 7.678 -13.062 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.489 6.227 -10.418 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.867 6.738 -10.837 1.00 0.00 H new ATOM 0 HG CYS A 101 30.684 4.201 -12.187 1.00 0.00 H new ATOM 1523 N ASN A 102 31.087 9.936 -11.544 1.00 0.00 N ATOM 1524 CA ASN A 102 30.949 11.229 -10.848 1.00 0.00 C ATOM 1525 C ASN A 102 29.629 11.977 -11.132 1.00 0.00 C ATOM 1526 O ASN A 102 29.086 12.592 -10.217 1.00 0.00 O ATOM 1527 CB ASN A 102 32.154 12.136 -11.141 1.00 0.00 C ATOM 1528 CG ASN A 102 32.174 13.340 -10.206 1.00 0.00 C ATOM 1529 OD1 ASN A 102 32.378 13.214 -9.008 1.00 0.00 O ATOM 1530 ND2 ASN A 102 31.962 14.536 -10.706 1.00 0.00 N ATOM 0 H ASN A 102 31.940 9.852 -12.096 1.00 0.00 H new ATOM 0 HA ASN A 102 30.921 10.981 -9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 102 33.077 11.568 -11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 102 32.114 12.476 -12.176 1.00 0.00 H new ATOM 0 HD21 ASN A 102 31.968 15.353 -10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 102 31.791 14.648 -11.705 1.00 0.00 H new ATOM 1537 N GLY A 103 29.065 11.881 -12.341 1.00 0.00 N ATOM 1538 CA GLY A 103 27.761 12.483 -12.644 1.00 0.00 C ATOM 1539 C GLY A 103 26.610 11.903 -11.803 1.00 0.00 C ATOM 1540 O GLY A 103 25.710 12.630 -11.385 1.00 0.00 O ATOM 0 H GLY A 103 29.492 11.391 -13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.818 13.558 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.538 12.337 -13.701 1.00 0.00 H new ATOM 1544 N GLY A 104 26.676 10.610 -11.458 1.00 0.00 N ATOM 1545 CA GLY A 104 25.769 9.986 -10.485 1.00 0.00 C ATOM 1546 C GLY A 104 26.063 10.427 -9.043 1.00 0.00 C ATOM 1547 O GLY A 104 25.142 10.763 -8.298 1.00 0.00 O ATOM 0 H GLY A 104 27.363 9.965 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.740 10.241 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.856 8.902 -10.555 1.00 0.00 H new ATOM 1551 N LYS A 105 27.346 10.516 -8.661 1.00 0.00 N ATOM 1552 CA LYS A 105 27.773 11.007 -7.332 1.00 0.00 C ATOM 1553 C LYS A 105 27.350 12.449 -7.043 1.00 0.00 C ATOM 1554 O LYS A 105 26.942 12.735 -5.920 1.00 0.00 O ATOM 1555 CB LYS A 105 29.288 10.831 -7.135 1.00 0.00 C ATOM 1556 CG LYS A 105 29.699 9.351 -7.101 1.00 0.00 C ATOM 1557 CD LYS A 105 31.196 9.204 -6.791 1.00 0.00 C ATOM 1558 CE LYS A 105 31.571 7.718 -6.673 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.002 7.539 -6.299 1.00 0.00 N1+ ATOM 0 H LYS A 105 28.124 10.249 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 105 27.248 10.387 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.819 11.336 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.590 11.312 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.114 8.824 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.475 8.885 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.786 9.674 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.435 9.722 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 105 30.937 7.241 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 105 31.377 7.217 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.218 6.524 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.607 7.973 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.181 7.995 -5.382 1.00 0.00 H new ATOM 1573 N GLN A 106 27.356 13.332 -8.045 1.00 0.00 N ATOM 1574 CA GLN A 106 26.796 14.688 -7.929 1.00 0.00 C ATOM 1575 C GLN A 106 25.318 14.651 -7.501 1.00 0.00 C ATOM 1576 O GLN A 106 24.934 15.334 -6.552 1.00 0.00 O ATOM 1577 CB GLN A 106 26.934 15.435 -9.265 1.00 0.00 C ATOM 1578 CG GLN A 106 28.367 15.900 -9.570 1.00 0.00 C ATOM 1579 CD GLN A 106 28.451 16.593 -10.935 1.00 0.00 C ATOM 1580 OE1 GLN A 106 27.929 16.127 -11.937 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.096 17.734 -11.034 1.00 0.00 N ATOM 0 H GLN A 106 27.750 13.129 -8.964 1.00 0.00 H new ATOM 0 HA GLN A 106 27.359 15.216 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.594 14.785 -10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.275 16.303 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.703 16.585 -8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.041 15.043 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 106 29.540 18.142 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.153 18.211 -11.934 1.00 0.00 H new ATOM 1590 N PHE A 107 24.488 13.826 -8.153 1.00 0.00 N ATOM 1591 CA PHE A 107 23.066 13.714 -7.804 1.00 0.00 C ATOM 1592 C PHE A 107 22.825 13.023 -6.443 1.00 0.00 C ATOM 1593 O PHE A 107 21.866 13.347 -5.752 1.00 0.00 O ATOM 1594 CB PHE A 107 22.286 13.054 -8.948 1.00 0.00 C ATOM 1595 CG PHE A 107 20.821 13.457 -8.951 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.928 12.854 -8.050 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.369 14.487 -9.798 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.589 13.269 -7.992 1.00 0.00 C ATOM 1599 CE2 PHE A 107 19.028 14.908 -9.733 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.138 14.295 -8.834 1.00 0.00 C ATOM 0 H PHE A 107 24.777 13.226 -8.926 1.00 0.00 H new ATOM 0 HA PHE A 107 22.682 14.726 -7.674 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.739 13.329 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.363 11.970 -8.860 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.274 12.066 -7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.050 14.952 -10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.907 12.799 -7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.682 15.704 -10.375 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.107 14.614 -8.792 1.00 0.00 H new ATOM 1610 N ASP A 108 23.695 12.108 -6.001 1.00 0.00 N ATOM 1611 CA ASP A 108 23.634 11.588 -4.623 1.00 0.00 C ATOM 1612 C ASP A 108 23.968 12.690 -3.592 1.00 0.00 C ATOM 1613 O ASP A 108 23.224 12.908 -2.633 1.00 0.00 O ATOM 1614 CB ASP A 108 24.571 10.388 -4.492 1.00 0.00 C ATOM 1615 CG ASP A 108 24.464 9.707 -3.119 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.352 9.285 -2.720 1.00 0.00 O1- ATOM 1617 OD2 ASP A 108 25.507 9.538 -2.450 1.00 0.00 O ATOM 0 H ASP A 108 24.445 11.713 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 108 22.616 11.260 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.340 9.663 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.599 10.714 -4.654 1.00 0.00 H new ATOM 1622 N ALA A 109 25.040 13.459 -3.832 1.00 0.00 N ATOM 1623 CA ALA A 109 25.444 14.591 -2.993 1.00 0.00 C ATOM 1624 C ALA A 109 24.368 15.695 -2.875 1.00 0.00 C ATOM 1625 O ALA A 109 24.215 16.275 -1.798 1.00 0.00 O ATOM 1626 CB ALA A 109 26.768 15.151 -3.526 1.00 0.00 C ATOM 0 H ALA A 109 25.659 13.307 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 109 25.574 14.221 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.080 15.995 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.532 14.374 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.634 15.483 -4.556 1.00 0.00 H new ATOM 1632 N LEU A 110 23.568 15.924 -3.928 1.00 0.00 N ATOM 1633 CA LEU A 110 22.386 16.810 -3.942 1.00 0.00 C ATOM 1634 C LEU A 110 21.426 16.565 -2.765 1.00 0.00 C ATOM 1635 O LEU A 110 20.731 17.483 -2.328 1.00 0.00 O ATOM 1636 CB LEU A 110 21.635 16.564 -5.266 1.00 0.00 C ATOM 1637 CG LEU A 110 20.444 17.478 -5.611 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.901 18.871 -6.009 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.659 16.840 -6.761 1.00 0.00 C ATOM 0 H LEU A 110 23.731 15.480 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 110 22.734 17.839 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.359 16.640 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.273 15.536 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 110 19.815 17.582 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.032 19.485 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.452 19.323 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.547 18.806 -6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.811 17.474 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.309 16.732 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.298 15.858 -6.454 1.00 0.00 H new ATOM 1651 N LEU A 111 21.392 15.331 -2.254 1.00 0.00 N ATOM 1652 CA LEU A 111 20.430 14.872 -1.253 1.00 0.00 C ATOM 1653 C LEU A 111 21.058 14.830 0.154 1.00 0.00 C ATOM 1654 O LEU A 111 20.393 15.214 1.120 1.00 0.00 O ATOM 1655 CB LEU A 111 19.847 13.529 -1.736 1.00 0.00 C ATOM 1656 CG LEU A 111 19.208 13.596 -3.143 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.754 12.207 -3.576 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.003 14.542 -3.198 1.00 0.00 C ATOM 0 H LEU A 111 22.052 14.605 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 111 19.603 15.575 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.640 12.781 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.096 13.192 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 111 19.974 13.981 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.305 12.264 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.612 11.536 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.019 11.827 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.593 14.551 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.239 14.200 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.318 15.549 -2.925 1.00 0.00 H new ATOM 1670 N GLN A 112 22.347 14.487 0.297 1.00 0.00 N ATOM 1671 CA GLN A 112 23.068 14.651 1.576 1.00 0.00 C ATOM 1672 C GLN A 112 23.215 16.135 1.960 1.00 0.00 C ATOM 1673 O GLN A 112 23.124 16.472 3.142 1.00 0.00 O ATOM 1674 CB GLN A 112 24.459 13.984 1.544 1.00 0.00 C ATOM 1675 CG GLN A 112 24.444 12.546 2.081 1.00 0.00 C ATOM 1676 CD GLN A 112 23.749 11.584 1.129 1.00 0.00 C ATOM 1677 OE1 GLN A 112 24.324 11.132 0.151 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.503 11.231 1.375 1.00 0.00 N ATOM 0 H GLN A 112 22.914 14.094 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 112 22.463 14.152 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.831 13.980 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.156 14.580 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.468 12.212 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 112 23.940 12.526 3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 112 22.018 11.606 2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 112 22.024 10.583 0.750 1.00 0.00 H new ATOM 1687 N GLU A 113 23.348 17.034 0.974 1.00 0.00 N ATOM 1688 CA GLU A 113 23.298 18.497 1.156 1.00 0.00 C ATOM 1689 C GLU A 113 21.960 18.986 1.767 1.00 0.00 C ATOM 1690 O GLU A 113 21.874 20.105 2.274 1.00 0.00 O ATOM 1691 CB GLU A 113 23.569 19.160 -0.213 1.00 0.00 C ATOM 1692 CG GLU A 113 23.885 20.664 -0.185 1.00 0.00 C ATOM 1693 CD GLU A 113 25.227 20.962 0.514 1.00 0.00 C ATOM 1694 OE1 GLU A 113 26.285 20.936 -0.164 1.00 0.00 O ATOM 1695 OE2 GLU A 113 25.243 21.226 1.740 1.00 0.00 O1- ATOM 0 H GLU A 113 23.497 16.760 0.003 1.00 0.00 H new ATOM 0 HA GLU A 113 24.063 18.786 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 113 24.404 18.643 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 113 22.697 19.004 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 113 23.915 21.047 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 113 23.083 21.193 0.330 1.00 0.00 H new ATOM 1702 N GLN A 114 20.924 18.136 1.764 1.00 0.00 N ATOM 1703 CA GLN A 114 19.569 18.431 2.244 1.00 0.00 C ATOM 1704 C GLN A 114 19.078 17.443 3.328 1.00 0.00 C ATOM 1705 O GLN A 114 17.881 17.388 3.613 1.00 0.00 O ATOM 1706 CB GLN A 114 18.613 18.501 1.038 1.00 0.00 C ATOM 1707 CG GLN A 114 19.059 19.546 0.000 1.00 0.00 C ATOM 1708 CD GLN A 114 18.000 19.890 -1.037 1.00 0.00 C ATOM 1709 OE1 GLN A 114 16.838 19.508 -0.970 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.364 20.670 -2.027 1.00 0.00 N ATOM 0 H GLN A 114 21.012 17.183 1.411 1.00 0.00 H new ATOM 0 HA GLN A 114 19.587 19.400 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.558 17.521 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.609 18.744 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.350 20.458 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.946 19.176 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.329 20.994 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 114 17.682 20.952 -2.731 1.00 0.00 H new ATOM 1719 N SER A 115 19.988 16.681 3.950 1.00 0.00 N ATOM 1720 CA SER A 115 19.722 15.741 5.062 1.00 0.00 C ATOM 1721 C SER A 115 18.807 14.550 4.717 1.00 0.00 C ATOM 1722 O SER A 115 18.169 13.973 5.603 1.00 0.00 O ATOM 1723 CB SER A 115 19.255 16.493 6.322 1.00 0.00 C ATOM 1724 OG SER A 115 20.196 17.492 6.687 1.00 0.00 O ATOM 0 H SER A 115 20.973 16.699 3.685 1.00 0.00 H new ATOM 0 HA SER A 115 20.683 15.271 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.283 16.951 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.126 15.790 7.145 1.00 0.00 H new ATOM 0 HG SER A 115 19.882 17.960 7.488 1.00 0.00 H new ATOM 1730 N ALA A 116 18.742 14.149 3.441 1.00 0.00 N ATOM 1731 CA ALA A 116 18.087 12.907 3.017 1.00 0.00 C ATOM 1732 C ALA A 116 18.748 11.653 3.636 1.00 0.00 C ATOM 1733 O ALA A 116 19.919 11.683 4.024 1.00 0.00 O ATOM 1734 CB ALA A 116 18.145 12.837 1.492 1.00 0.00 C ATOM 0 H ALA A 116 19.145 14.681 2.670 1.00 0.00 H new ATOM 0 HA ALA A 116 17.055 12.918 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.663 11.920 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.628 13.698 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 116 19.185 12.843 1.167 1.00 0.00 H new ATOM 1740 N GLN A 117 18.027 10.524 3.675 1.00 0.00 N ATOM 1741 CA GLN A 117 18.403 9.310 4.400 1.00 0.00 C ATOM 1742 C GLN A 117 18.316 8.090 3.479 1.00 0.00 C ATOM 1743 O GLN A 117 17.278 7.433 3.376 1.00 0.00 O ATOM 1744 CB GLN A 117 17.534 9.165 5.662 1.00 0.00 C ATOM 1745 CG GLN A 117 17.823 10.235 6.733 1.00 0.00 C ATOM 1746 CD GLN A 117 16.543 10.907 7.226 1.00 0.00 C ATOM 1747 OE1 GLN A 117 15.666 10.287 7.815 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.370 12.189 6.994 1.00 0.00 N ATOM 0 H GLN A 117 17.137 10.431 3.185 1.00 0.00 H new ATOM 0 HA GLN A 117 19.440 9.382 4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.483 9.221 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 117 17.696 8.177 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 117 18.339 9.775 7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 117 18.494 10.989 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 117 17.090 12.720 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.516 12.652 7.303 1.00 0.00 H new ATOM 1757 N ARG A 118 19.402 7.825 2.743 1.00 0.00 N ATOM 1758 CA ARG A 118 19.464 6.703 1.792 1.00 0.00 C ATOM 1759 C ARG A 118 19.307 5.357 2.517 1.00 0.00 C ATOM 1760 O ARG A 118 19.911 5.135 3.566 1.00 0.00 O ATOM 1761 CB ARG A 118 20.791 6.764 0.998 1.00 0.00 C ATOM 1762 CG ARG A 118 20.671 6.138 -0.403 1.00 0.00 C ATOM 1763 CD ARG A 118 21.976 5.972 -1.212 1.00 0.00 C ATOM 1764 NE ARG A 118 22.974 7.046 -1.024 1.00 0.00 N ATOM 1765 CZ ARG A 118 23.990 7.050 -0.182 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.211 6.091 0.681 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 24.829 8.037 -0.212 1.00 0.00 N ATOM 0 H ARG A 118 20.259 8.377 2.787 1.00 0.00 H new ATOM 0 HA ARG A 118 18.635 6.789 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.105 7.803 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.570 6.246 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.211 5.155 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 118 19.985 6.749 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.434 5.021 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.723 5.914 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 118 22.865 7.874 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.582 5.290 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.013 6.145 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.699 8.797 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 118 25.619 8.054 0.433 1.00 0.00 H new ATOM 1781 N VAL A 119 18.547 4.441 1.919 1.00 0.00 N ATOM 1782 CA VAL A 119 18.243 3.093 2.452 1.00 0.00 C ATOM 1783 C VAL A 119 19.195 2.025 1.870 1.00 0.00 C ATOM 1784 O VAL A 119 18.813 0.880 1.636 1.00 0.00 O ATOM 1785 CB VAL A 119 16.744 2.729 2.252 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.279 1.742 3.330 1.00 0.00 C ATOM 1787 CG2 VAL A 119 15.790 3.932 2.332 1.00 0.00 C ATOM 0 H VAL A 119 18.105 4.613 1.016 1.00 0.00 H new ATOM 0 HA VAL A 119 18.420 3.112 3.527 1.00 0.00 H new ATOM 0 HB VAL A 119 16.699 2.305 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.228 1.500 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 119 16.874 0.831 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.404 2.193 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.765 3.594 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 119 15.878 4.402 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.050 4.655 1.559 1.00 0.00 H new ATOM 1797 N GLY A 120 20.440 2.411 1.570 1.00 0.00 N ATOM 1798 CA GLY A 120 21.437 1.555 0.915 1.00 0.00 C ATOM 1799 C GLY A 120 22.688 2.302 0.448 1.00 0.00 C ATOM 1800 O GLY A 120 22.931 3.453 0.823 1.00 0.00 O ATOM 0 H GLY A 120 20.790 3.346 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.734 0.766 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.975 1.068 0.056 1.00 0.00 H new ATOM 1804 N GLU A 121 23.472 1.643 -0.405 1.00 0.00 N ATOM 1805 CA GLU A 121 24.721 2.145 -0.998 1.00 0.00 C ATOM 1806 C GLU A 121 24.643 2.160 -2.536 1.00 0.00 C ATOM 1807 O GLU A 121 23.819 1.466 -3.141 1.00 0.00 O ATOM 1808 CB GLU A 121 25.904 1.278 -0.535 1.00 0.00 C ATOM 1809 CG GLU A 121 26.160 1.372 0.974 1.00 0.00 C ATOM 1810 CD GLU A 121 27.397 0.545 1.373 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.528 1.088 1.336 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 27.250 -0.651 1.730 1.00 0.00 O ATOM 0 H GLU A 121 23.247 0.699 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 121 24.871 3.171 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.712 0.239 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.803 1.584 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 121 26.307 2.414 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.286 1.013 1.518 1.00 0.00 H new ATOM 1819 N MET A 122 25.485 2.974 -3.182 1.00 0.00 N ATOM 1820 CA MET A 122 25.410 3.222 -4.626 1.00 0.00 C ATOM 1821 C MET A 122 25.878 2.012 -5.446 1.00 0.00 C ATOM 1822 O MET A 122 26.944 1.448 -5.186 1.00 0.00 O ATOM 1823 CB MET A 122 26.238 4.463 -4.979 1.00 0.00 C ATOM 1824 CG MET A 122 25.955 4.931 -6.416 1.00 0.00 C ATOM 1825 SD MET A 122 26.782 6.459 -6.943 1.00 0.00 S ATOM 1826 CE MET A 122 26.339 7.569 -5.583 1.00 0.00 C ATOM 0 H MET A 122 26.239 3.480 -2.718 1.00 0.00 H new ATOM 0 HA MET A 122 24.365 3.395 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 122 26.008 5.267 -4.280 1.00 0.00 H new ATOM 0 HB3 MET A 122 27.299 4.239 -4.869 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.245 4.132 -7.099 1.00 0.00 H new ATOM 0 HG3 MET A 122 24.879 5.069 -6.525 1.00 0.00 H new ATOM 0 HE1 MET A 122 26.245 8.587 -5.960 1.00 0.00 H new ATOM 0 HE2 MET A 122 25.390 7.254 -5.150 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.115 7.535 -4.818 1.00 0.00 H new ATOM 1836 N LEU A 123 25.107 1.656 -6.475 1.00 0.00 N ATOM 1837 CA LEU A 123 25.494 0.661 -7.478 1.00 0.00 C ATOM 1838 C LEU A 123 26.286 1.350 -8.606 1.00 0.00 C ATOM 1839 O LEU A 123 25.860 2.401 -9.085 1.00 0.00 O ATOM 1840 CB LEU A 123 24.199 0.004 -7.992 1.00 0.00 C ATOM 1841 CG LEU A 123 24.278 -1.361 -8.700 1.00 0.00 C ATOM 1842 CD1 LEU A 123 24.699 -1.243 -10.156 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.196 -2.358 -7.995 1.00 0.00 C ATOM 0 H LEU A 123 24.183 2.056 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 123 26.143 -0.108 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.527 -0.107 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.727 0.704 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 123 23.259 -1.745 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.738 -2.235 -10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 123 23.977 -0.629 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 123 25.684 -0.780 -10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.205 -3.298 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.207 -1.953 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 123 24.832 -2.535 -6.983 1.00 0.00 H new ATOM 1855 N LEU A 124 27.414 0.776 -9.039 1.00 0.00 N ATOM 1856 CA LEU A 124 28.369 1.416 -9.959 1.00 0.00 C ATOM 1857 C LEU A 124 28.611 0.544 -11.206 1.00 0.00 C ATOM 1858 O LEU A 124 29.523 -0.287 -11.246 1.00 0.00 O ATOM 1859 CB LEU A 124 29.680 1.735 -9.209 1.00 0.00 C ATOM 1860 CG LEU A 124 29.557 2.630 -7.962 1.00 0.00 C ATOM 1861 CD1 LEU A 124 30.928 2.786 -7.301 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.042 4.030 -8.292 1.00 0.00 C ATOM 0 H LEU A 124 27.696 -0.163 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 124 27.946 2.355 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.140 0.793 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.365 2.216 -9.908 1.00 0.00 H new ATOM 0 HG LEU A 124 28.843 2.142 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 124 30.837 3.420 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.303 1.806 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.622 3.243 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 124 28.975 4.618 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.728 4.516 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.055 3.956 -8.749 1.00 0.00 H new ATOM 1874 N ILE A 125 27.746 0.703 -12.210 1.00 0.00 N ATOM 1875 CA ILE A 125 27.783 -0.034 -13.482 1.00 0.00 C ATOM 1876 C ILE A 125 28.938 0.471 -14.368 1.00 0.00 C ATOM 1877 O ILE A 125 29.111 1.677 -14.554 1.00 0.00 O ATOM 1878 CB ILE A 125 26.426 0.084 -14.217 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.261 -0.335 -13.291 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.434 -0.778 -15.487 1.00 0.00 C ATOM 1881 CD1 ILE A 125 23.857 -0.289 -13.903 1.00 0.00 C ATOM 0 H ILE A 125 26.975 1.369 -12.162 1.00 0.00 H new ATOM 0 HA ILE A 125 27.960 -1.088 -13.267 1.00 0.00 H new ATOM 0 HB ILE A 125 26.279 1.126 -14.500 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.449 -1.351 -12.943 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.273 0.311 -12.413 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.474 -0.686 -15.995 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.230 -0.440 -16.151 1.00 0.00 H new ATOM 0 HG23 ILE A 125 26.604 -1.821 -15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.125 -0.604 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 125 23.633 0.728 -14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 125 23.812 -0.959 -14.762 1.00 0.00 H new ATOM 1893 N ASP A 126 29.688 -0.455 -14.966 1.00 0.00 N ATOM 1894 CA ASP A 126 30.902 -0.182 -15.741 1.00 0.00 C ATOM 1895 C ASP A 126 30.872 -0.913 -17.090 1.00 0.00 C ATOM 1896 O ASP A 126 30.949 -2.138 -17.134 1.00 0.00 O ATOM 1897 CB ASP A 126 32.116 -0.630 -14.910 1.00 0.00 C ATOM 1898 CG ASP A 126 33.451 -0.488 -15.657 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.507 0.214 -16.689 1.00 0.00 O ATOM 1900 OD2 ASP A 126 34.465 -1.057 -15.190 1.00 0.00 O1- ATOM 0 H ASP A 126 29.461 -1.449 -14.924 1.00 0.00 H new ATOM 0 HA ASP A 126 30.967 0.885 -15.954 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.157 -0.042 -13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 126 31.982 -1.671 -14.615 1.00 0.00 H new ATOM 1905 N ALA A 127 30.794 -0.187 -18.206 1.00 0.00 N ATOM 1906 CA ALA A 127 30.820 -0.761 -19.553 1.00 0.00 C ATOM 1907 C ALA A 127 32.076 -1.612 -19.862 1.00 0.00 C ATOM 1908 O ALA A 127 32.015 -2.470 -20.747 1.00 0.00 O ATOM 1909 CB ALA A 127 30.656 0.377 -20.564 1.00 0.00 C ATOM 0 H ALA A 127 30.710 0.830 -18.200 1.00 0.00 H new ATOM 0 HA ALA A 127 29.993 -1.467 -19.625 1.00 0.00 H new ATOM 0 HB1 ALA A 127 30.673 -0.029 -21.575 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.706 0.883 -20.392 1.00 0.00 H new ATOM 0 HB3 ALA A 127 31.473 1.089 -20.446 1.00 0.00 H new ATOM 1915 N SER A 128 33.187 -1.439 -19.130 1.00 0.00 N ATOM 1916 CA SER A 128 34.374 -2.313 -19.210 1.00 0.00 C ATOM 1917 C SER A 128 34.215 -3.665 -18.473 1.00 0.00 C ATOM 1918 O SER A 128 35.111 -4.509 -18.538 1.00 0.00 O ATOM 1919 CB SER A 128 35.622 -1.577 -18.698 1.00 0.00 C ATOM 1920 OG SER A 128 36.048 -0.597 -19.625 1.00 0.00 O ATOM 0 H SER A 128 33.291 -0.680 -18.457 1.00 0.00 H new ATOM 0 HA SER A 128 34.490 -2.555 -20.267 1.00 0.00 H new ATOM 0 HB2 SER A 128 35.403 -1.106 -17.740 1.00 0.00 H new ATOM 0 HB3 SER A 128 36.426 -2.293 -18.525 1.00 0.00 H new ATOM 0 HG SER A 128 35.410 0.147 -19.630 1.00 0.00 H new ATOM 1926 N GLU A 129 33.084 -3.904 -17.799 1.00 0.00 N ATOM 1927 CA GLU A 129 32.794 -5.117 -17.007 1.00 0.00 C ATOM 1928 C GLU A 129 31.340 -5.628 -17.172 1.00 0.00 C ATOM 1929 O GLU A 129 31.054 -6.797 -16.914 1.00 0.00 O ATOM 1930 CB GLU A 129 33.099 -4.793 -15.530 1.00 0.00 C ATOM 1931 CG GLU A 129 33.220 -6.008 -14.601 1.00 0.00 C ATOM 1932 CD GLU A 129 34.447 -6.881 -14.939 1.00 0.00 C ATOM 1933 OE1 GLU A 129 35.561 -6.591 -14.436 1.00 0.00 O ATOM 1934 OE2 GLU A 129 34.308 -7.876 -15.692 1.00 0.00 O1- ATOM 0 H GLU A 129 32.313 -3.236 -17.786 1.00 0.00 H new ATOM 0 HA GLU A 129 33.424 -5.929 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.030 -4.228 -15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 129 32.312 -4.142 -15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 129 33.292 -5.668 -13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 129 32.315 -6.611 -14.675 1.00 0.00 H new ATOM 1941 N ASN A 130 30.422 -4.782 -17.657 1.00 0.00 N ATOM 1942 CA ASN A 130 28.982 -5.016 -17.771 1.00 0.00 C ATOM 1943 C ASN A 130 28.495 -4.752 -19.219 1.00 0.00 C ATOM 1944 O ASN A 130 27.952 -3.676 -19.496 1.00 0.00 O ATOM 1945 CB ASN A 130 28.227 -4.131 -16.748 1.00 0.00 C ATOM 1946 CG ASN A 130 28.643 -4.299 -15.293 1.00 0.00 C ATOM 1947 OD1 ASN A 130 29.038 -3.351 -14.631 1.00 0.00 O ATOM 1948 ND2 ASN A 130 28.505 -5.481 -14.738 1.00 0.00 N ATOM 0 H ASN A 130 30.685 -3.858 -18.001 1.00 0.00 H new ATOM 0 HA ASN A 130 28.770 -6.061 -17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 130 28.365 -3.087 -17.028 1.00 0.00 H new ATOM 0 HB3 ASN A 130 27.161 -4.344 -16.828 1.00 0.00 H new ATOM 0 HD21 ASN A 130 28.728 -5.610 -13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 130 28.175 -6.270 -15.294 1.00 0.00 H new ATOM 1955 N PRO A 131 28.667 -5.704 -20.160 1.00 0.00 N ATOM 1956 CA PRO A 131 28.132 -5.586 -21.523 1.00 0.00 C ATOM 1957 C PRO A 131 26.590 -5.659 -21.583 1.00 0.00 C ATOM 1958 O PRO A 131 25.984 -5.237 -22.569 1.00 0.00 O ATOM 1959 CB PRO A 131 28.796 -6.718 -22.311 1.00 0.00 C ATOM 1960 CG PRO A 131 29.049 -7.786 -21.249 1.00 0.00 C ATOM 1961 CD PRO A 131 29.366 -6.972 -19.996 1.00 0.00 C ATOM 0 HA PRO A 131 28.358 -4.607 -21.946 1.00 0.00 H new ATOM 0 HB2 PRO A 131 28.149 -7.087 -23.106 1.00 0.00 H new ATOM 0 HB3 PRO A 131 29.723 -6.391 -22.781 1.00 0.00 H new ATOM 0 HG2 PRO A 131 28.176 -8.423 -21.104 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.878 -8.438 -21.525 1.00 0.00 H new ATOM 0 HD2 PRO A 131 29.031 -7.490 -19.098 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.440 -6.816 -19.892 1.00 0.00 H new ATOM 1969 N GLU A 132 25.951 -6.141 -20.510 1.00 0.00 N ATOM 1970 CA GLU A 132 24.504 -6.112 -20.265 1.00 0.00 C ATOM 1971 C GLU A 132 24.273 -5.448 -18.891 1.00 0.00 C ATOM 1972 O GLU A 132 24.307 -6.139 -17.870 1.00 0.00 O ATOM 1973 CB GLU A 132 23.924 -7.540 -20.332 1.00 0.00 C ATOM 1974 CG GLU A 132 24.009 -8.147 -21.740 1.00 0.00 C ATOM 1975 CD GLU A 132 23.378 -9.551 -21.780 1.00 0.00 C ATOM 1976 OE1 GLU A 132 24.092 -10.551 -21.523 1.00 0.00 O1- ATOM 1977 OE2 GLU A 132 22.164 -9.668 -22.085 1.00 0.00 O ATOM 0 H GLU A 132 26.459 -6.587 -19.746 1.00 0.00 H new ATOM 0 HA GLU A 132 23.987 -5.533 -21.030 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.461 -8.180 -19.632 1.00 0.00 H new ATOM 0 HB3 GLU A 132 22.882 -7.520 -20.011 1.00 0.00 H new ATOM 0 HG2 GLU A 132 23.500 -7.496 -22.451 1.00 0.00 H new ATOM 0 HG3 GLU A 132 25.052 -8.205 -22.052 1.00 0.00 H new ATOM 1984 N PRO A 133 24.083 -4.112 -18.819 1.00 0.00 N ATOM 1985 CA PRO A 133 24.086 -3.358 -17.553 1.00 0.00 C ATOM 1986 C PRO A 133 23.021 -3.773 -16.536 1.00 0.00 C ATOM 1987 O PRO A 133 23.232 -3.691 -15.327 1.00 0.00 O ATOM 1988 CB PRO A 133 23.993 -1.884 -17.965 1.00 0.00 C ATOM 1989 CG PRO A 133 23.330 -1.915 -19.338 1.00 0.00 C ATOM 1990 CD PRO A 133 23.883 -3.203 -19.943 1.00 0.00 C ATOM 0 HA PRO A 133 24.998 -3.572 -16.996 1.00 0.00 H new ATOM 0 HB2 PRO A 133 23.403 -1.309 -17.252 1.00 0.00 H new ATOM 0 HB3 PRO A 133 24.979 -1.421 -18.010 1.00 0.00 H new ATOM 0 HG2 PRO A 133 22.243 -1.936 -19.263 1.00 0.00 H new ATOM 0 HG3 PRO A 133 23.592 -1.041 -19.935 1.00 0.00 H new ATOM 0 HD2 PRO A 133 23.188 -3.625 -20.669 1.00 0.00 H new ATOM 0 HD3 PRO A 133 24.820 -3.018 -20.469 1.00 0.00 H new ATOM 1998 N GLU A 134 21.903 -4.315 -17.014 1.00 0.00 N ATOM 1999 CA GLU A 134 20.858 -4.908 -16.177 1.00 0.00 C ATOM 2000 C GLU A 134 21.341 -6.029 -15.247 1.00 0.00 C ATOM 2001 O GLU A 134 20.800 -6.202 -14.155 1.00 0.00 O ATOM 2002 CB GLU A 134 19.739 -5.412 -17.084 1.00 0.00 C ATOM 2003 CG GLU A 134 20.125 -6.546 -18.052 1.00 0.00 C ATOM 2004 CD GLU A 134 18.939 -6.948 -18.948 1.00 0.00 C ATOM 2005 OE1 GLU A 134 18.588 -6.182 -19.878 1.00 0.00 O1- ATOM 2006 OE2 GLU A 134 18.370 -8.050 -18.749 1.00 0.00 O ATOM 0 H GLU A 134 21.693 -4.356 -18.011 1.00 0.00 H new ATOM 0 HA GLU A 134 20.505 -4.124 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 134 18.916 -5.758 -16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 134 19.364 -4.572 -17.668 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.961 -6.227 -18.674 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.463 -7.412 -17.484 1.00 0.00 H new ATOM 2013 N THR A 135 22.389 -6.761 -15.638 1.00 0.00 N ATOM 2014 CA THR A 135 22.963 -7.868 -14.846 1.00 0.00 C ATOM 2015 C THR A 135 23.665 -7.406 -13.567 1.00 0.00 C ATOM 2016 O THR A 135 24.046 -8.232 -12.735 1.00 0.00 O ATOM 2017 CB THR A 135 23.940 -8.718 -15.677 1.00 0.00 C ATOM 2018 OG1 THR A 135 25.072 -7.981 -16.094 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.244 -9.283 -16.912 1.00 0.00 C ATOM 0 H THR A 135 22.872 -6.604 -16.522 1.00 0.00 H new ATOM 0 HA THR A 135 22.106 -8.474 -14.554 1.00 0.00 H new ATOM 0 HB THR A 135 24.274 -9.527 -15.028 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.890 -7.567 -16.963 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.951 -9.881 -17.487 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.407 -9.909 -16.603 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.876 -8.463 -17.529 1.00 0.00 H new ATOM 2027 N GLU A 136 23.799 -6.088 -13.382 1.00 0.00 N ATOM 2028 CA GLU A 136 24.413 -5.477 -12.198 1.00 0.00 C ATOM 2029 C GLU A 136 23.371 -4.723 -11.353 1.00 0.00 C ATOM 2030 O GLU A 136 23.457 -4.723 -10.125 1.00 0.00 O ATOM 2031 CB GLU A 136 25.559 -4.560 -12.665 1.00 0.00 C ATOM 2032 CG GLU A 136 26.601 -4.254 -11.581 1.00 0.00 C ATOM 2033 CD GLU A 136 27.454 -5.492 -11.238 1.00 0.00 C ATOM 2034 OE1 GLU A 136 28.462 -5.752 -11.941 1.00 0.00 O ATOM 2035 OE2 GLU A 136 27.124 -6.214 -10.265 1.00 0.00 O1- ATOM 0 H GLU A 136 23.477 -5.402 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 136 24.820 -6.252 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 136 26.060 -5.026 -13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 136 25.136 -3.621 -13.022 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.251 -3.448 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.096 -3.900 -10.682 1.00 0.00 H new ATOM 2042 N SER A 137 22.336 -4.149 -11.982 1.00 0.00 N ATOM 2043 CA SER A 137 21.234 -3.495 -11.260 1.00 0.00 C ATOM 2044 C SER A 137 20.221 -4.479 -10.669 1.00 0.00 C ATOM 2045 O SER A 137 19.666 -4.209 -9.606 1.00 0.00 O ATOM 2046 CB SER A 137 20.487 -2.527 -12.176 1.00 0.00 C ATOM 2047 OG SER A 137 19.929 -3.228 -13.273 1.00 0.00 O ATOM 0 H SER A 137 22.238 -4.124 -12.997 1.00 0.00 H new ATOM 0 HA SER A 137 21.705 -2.963 -10.434 1.00 0.00 H new ATOM 0 HB2 SER A 137 19.699 -2.021 -11.618 1.00 0.00 H new ATOM 0 HB3 SER A 137 21.168 -1.756 -12.536 1.00 0.00 H new ATOM 0 HG SER A 137 19.207 -2.696 -13.668 1.00 0.00 H new ATOM 2053 N ASN A 138 19.974 -5.624 -11.318 1.00 0.00 N ATOM 2054 CA ASN A 138 18.932 -6.574 -10.909 1.00 0.00 C ATOM 2055 C ASN A 138 18.976 -6.977 -9.417 1.00 0.00 C ATOM 2056 O ASN A 138 18.024 -6.662 -8.695 1.00 0.00 O ATOM 2057 CB ASN A 138 18.940 -7.798 -11.841 1.00 0.00 C ATOM 2058 CG ASN A 138 17.861 -7.712 -12.913 1.00 0.00 C ATOM 2059 OD1 ASN A 138 16.808 -8.327 -12.819 1.00 0.00 O ATOM 2060 ND2 ASN A 138 18.077 -6.926 -13.939 1.00 0.00 N ATOM 0 H ASN A 138 20.494 -5.919 -12.145 1.00 0.00 H new ATOM 0 HA ASN A 138 17.981 -6.051 -11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.917 -7.884 -12.317 1.00 0.00 H new ATOM 0 HB3 ASN A 138 18.792 -8.703 -11.251 1.00 0.00 H new ATOM 0 HD21 ASN A 138 17.366 -6.825 -14.663 1.00 0.00 H new ATOM 0 HD22 ASN A 138 18.957 -6.415 -14.014 1.00 0.00 H new ATOM 2067 N PRO A 139 20.065 -7.592 -8.910 1.00 0.00 N ATOM 2068 CA PRO A 139 20.144 -8.003 -7.509 1.00 0.00 C ATOM 2069 C PRO A 139 20.159 -6.803 -6.550 1.00 0.00 C ATOM 2070 O PRO A 139 19.641 -6.910 -5.439 1.00 0.00 O ATOM 2071 CB PRO A 139 21.424 -8.837 -7.393 1.00 0.00 C ATOM 2072 CG PRO A 139 22.297 -8.257 -8.501 1.00 0.00 C ATOM 2073 CD PRO A 139 21.289 -7.964 -9.608 1.00 0.00 C ATOM 0 HA PRO A 139 19.264 -8.579 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.889 -8.732 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 139 21.231 -9.899 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.815 -7.355 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 139 23.061 -8.964 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 139 21.636 -7.158 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 139 21.133 -8.837 -10.242 1.00 0.00 H new ATOM 2081 N TRP A 140 20.694 -5.649 -6.976 1.00 0.00 N ATOM 2082 CA TRP A 140 20.660 -4.414 -6.189 1.00 0.00 C ATOM 2083 C TRP A 140 19.221 -3.948 -5.932 1.00 0.00 C ATOM 2084 O TRP A 140 18.852 -3.733 -4.778 1.00 0.00 O ATOM 2085 CB TRP A 140 21.474 -3.317 -6.886 1.00 0.00 C ATOM 2086 CG TRP A 140 21.559 -2.033 -6.105 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.569 -1.674 -5.279 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.565 -0.966 -5.982 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.283 -0.448 -4.707 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.021 -0.016 -5.026 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.301 -0.715 -6.552 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.244 1.069 -4.597 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.496 0.358 -6.129 1.00 0.00 C ATOM 2094 CH2 TRP A 140 18.959 1.236 -5.137 1.00 0.00 C ATOM 0 H TRP A 140 21.162 -5.549 -7.877 1.00 0.00 H new ATOM 0 HA TRP A 140 21.112 -4.621 -5.219 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.483 -3.687 -7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 140 21.029 -3.110 -7.859 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.461 -2.255 -5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 140 22.933 0.073 -4.118 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.940 -1.365 -7.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 20.627 1.764 -3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.521 0.506 -6.568 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.327 2.040 -4.789 1.00 0.00 H new ATOM 2105 N VAL A 141 18.384 -3.841 -6.979 1.00 0.00 N ATOM 2106 CA VAL A 141 16.985 -3.395 -6.821 1.00 0.00 C ATOM 2107 C VAL A 141 16.171 -4.444 -6.058 1.00 0.00 C ATOM 2108 O VAL A 141 15.384 -4.081 -5.178 1.00 0.00 O ATOM 2109 CB VAL A 141 16.290 -3.075 -8.161 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.900 -2.466 -7.928 1.00 0.00 C ATOM 2111 CG2 VAL A 141 17.039 -2.062 -9.035 1.00 0.00 C ATOM 0 H VAL A 141 18.649 -4.056 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 141 17.026 -2.466 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 141 16.252 -4.038 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.432 -2.250 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.282 -3.172 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.998 -1.543 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.482 -1.895 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 141 17.139 -1.120 -8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 141 18.029 -2.450 -9.275 1.00 0.00 H new ATOM 2121 N GLU A 142 16.385 -5.736 -6.349 1.00 0.00 N ATOM 2122 CA GLU A 142 15.699 -6.823 -5.641 1.00 0.00 C ATOM 2123 C GLU A 142 16.012 -6.818 -4.133 1.00 0.00 C ATOM 2124 O GLU A 142 15.110 -7.037 -3.324 1.00 0.00 O ATOM 2125 CB GLU A 142 16.047 -8.186 -6.263 1.00 0.00 C ATOM 2126 CG GLU A 142 15.365 -8.430 -7.619 1.00 0.00 C ATOM 2127 CD GLU A 142 15.718 -9.828 -8.164 1.00 0.00 C ATOM 2128 OE1 GLU A 142 16.760 -9.983 -8.847 1.00 0.00 O ATOM 2129 OE2 GLU A 142 14.951 -10.789 -7.906 1.00 0.00 O1- ATOM 0 H GLU A 142 17.030 -6.052 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 142 14.628 -6.653 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.127 -8.254 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.758 -8.977 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 142 14.284 -8.339 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.678 -7.667 -8.332 1.00 0.00 H new ATOM 2136 N HIS A 143 17.255 -6.508 -3.740 1.00 0.00 N ATOM 2137 CA HIS A 143 17.652 -6.315 -2.340 1.00 0.00 C ATOM 2138 C HIS A 143 17.093 -5.015 -1.738 1.00 0.00 C ATOM 2139 O HIS A 143 16.350 -5.078 -0.756 1.00 0.00 O ATOM 2140 CB HIS A 143 19.184 -6.334 -2.244 1.00 0.00 C ATOM 2141 CG HIS A 143 19.703 -6.075 -0.849 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.892 -7.044 0.144 1.00 0.00 N ATOM 2143 CD2 HIS A 143 20.054 -4.854 -0.349 1.00 0.00 C ATOM 2144 CE1 HIS A 143 20.360 -6.382 1.218 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.471 -5.070 0.946 1.00 0.00 N ATOM 0 H HIS A 143 18.025 -6.382 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 143 17.228 -7.133 -1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.550 -7.302 -2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.592 -5.583 -2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 143 20.013 -3.907 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.611 -6.839 2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.808 -4.355 1.590 1.00 0.00 H new ATOM 2153 N TRP A 144 17.420 -3.852 -2.320 1.00 0.00 N ATOM 2154 CA TRP A 144 17.075 -2.521 -1.801 1.00 0.00 C ATOM 2155 C TRP A 144 15.580 -2.394 -1.503 1.00 0.00 C ATOM 2156 O TRP A 144 15.225 -2.018 -0.388 1.00 0.00 O ATOM 2157 CB TRP A 144 17.560 -1.438 -2.785 1.00 0.00 C ATOM 2158 CG TRP A 144 17.150 -0.021 -2.495 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.751 0.836 -1.633 1.00 0.00 C ATOM 2160 CD2 TRP A 144 16.062 0.746 -3.104 1.00 0.00 C ATOM 2161 NE1 TRP A 144 17.108 2.058 -1.645 1.00 0.00 N ATOM 2162 CE2 TRP A 144 16.055 2.056 -2.530 1.00 0.00 C ATOM 2163 CE3 TRP A 144 15.082 0.469 -4.084 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 15.118 3.029 -2.899 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 14.142 1.446 -4.466 1.00 0.00 C ATOM 2166 CH2 TRP A 144 14.159 2.720 -3.871 1.00 0.00 C ATOM 0 H TRP A 144 17.948 -3.811 -3.192 1.00 0.00 H new ATOM 0 HA TRP A 144 17.586 -2.378 -0.849 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.649 -1.475 -2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 144 17.200 -1.698 -3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.610 0.597 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.379 2.858 -1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 144 15.053 -0.506 -4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 15.135 4.006 -2.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.404 1.215 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.431 3.462 -4.164 1.00 0.00 H new ATOM 2177 N GLY A 145 14.713 -2.813 -2.436 1.00 0.00 N ATOM 2178 CA GLY A 145 13.254 -2.830 -2.282 1.00 0.00 C ATOM 2179 C GLY A 145 12.739 -3.450 -0.971 1.00 0.00 C ATOM 2180 O GLY A 145 11.767 -2.946 -0.405 1.00 0.00 O ATOM 0 H GLY A 145 15.018 -3.160 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.886 -1.806 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.823 -3.380 -3.119 1.00 0.00 H new ATOM 2184 N THR A 146 13.405 -4.482 -0.434 1.00 0.00 N ATOM 2185 CA THR A 146 12.995 -5.146 0.824 1.00 0.00 C ATOM 2186 C THR A 146 13.123 -4.256 2.074 1.00 0.00 C ATOM 2187 O THR A 146 12.544 -4.571 3.116 1.00 0.00 O ATOM 2188 CB THR A 146 13.773 -6.448 1.086 1.00 0.00 C ATOM 2189 OG1 THR A 146 15.139 -6.205 1.346 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.674 -7.443 -0.068 1.00 0.00 C ATOM 0 H THR A 146 14.243 -4.884 -0.854 1.00 0.00 H new ATOM 0 HA THR A 146 11.940 -5.366 0.663 1.00 0.00 H new ATOM 0 HB THR A 146 13.301 -6.883 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.488 -5.565 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.243 -8.340 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.629 -7.708 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.079 -6.991 -0.974 1.00 0.00 H new ATOM 2198 N LEU A 147 13.865 -3.147 1.980 1.00 0.00 N ATOM 2199 CA LEU A 147 14.228 -2.273 3.102 1.00 0.00 C ATOM 2200 C LEU A 147 13.303 -1.045 3.247 1.00 0.00 C ATOM 2201 O LEU A 147 13.301 -0.390 4.292 1.00 0.00 O ATOM 2202 CB LEU A 147 15.684 -1.811 2.903 1.00 0.00 C ATOM 2203 CG LEU A 147 16.716 -2.937 2.681 1.00 0.00 C ATOM 2204 CD1 LEU A 147 18.100 -2.332 2.460 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.801 -3.897 3.871 1.00 0.00 C ATOM 0 H LEU A 147 14.243 -2.822 1.090 1.00 0.00 H new ATOM 0 HA LEU A 147 14.114 -2.847 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.719 -1.137 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.986 -1.233 3.777 1.00 0.00 H new ATOM 0 HG LEU A 147 16.386 -3.499 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.825 -3.130 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 147 18.078 -1.685 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 147 18.386 -1.748 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.541 -4.670 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.094 -3.345 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.828 -4.361 4.034 1.00 0.00 H new ATOM 2217 N LEU A 148 12.526 -0.733 2.202 1.00 0.00 N ATOM 2218 CA LEU A 148 11.670 0.459 2.098 1.00 0.00 C ATOM 2219 C LEU A 148 10.575 0.530 3.184 1.00 0.00 C ATOM 2220 O LEU A 148 10.265 1.615 3.683 1.00 0.00 O ATOM 2221 CB LEU A 148 11.027 0.479 0.695 1.00 0.00 C ATOM 2222 CG LEU A 148 11.892 0.994 -0.476 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.930 2.521 -0.509 1.00 0.00 C ATOM 2224 CD2 LEU A 148 13.331 0.505 -0.468 1.00 0.00 C ATOM 0 H LEU A 148 12.473 -1.326 1.373 1.00 0.00 H new ATOM 0 HA LEU A 148 12.303 1.333 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.707 -0.535 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 148 10.128 1.093 0.745 1.00 0.00 H new ATOM 0 HG LEU A 148 11.402 0.584 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 148 12.547 2.852 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.918 2.908 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 148 12.352 2.895 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.860 0.918 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.820 0.829 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 148 13.346 -0.584 -0.522 1.00 0.00 H new ATOM 2236 N SER A 149 10.002 -0.620 3.556 1.00 0.00 N ATOM 2237 CA SER A 149 8.877 -0.757 4.502 1.00 0.00 C ATOM 2238 C SER A 149 8.948 -2.064 5.303 1.00 0.00 C ATOM 2239 O SER A 149 9.128 -2.005 6.541 1.00 0.00 O ATOM 2240 CB SER A 149 7.547 -0.638 3.745 1.00 0.00 C ATOM 2241 OG SER A 149 7.427 -1.775 2.914 1.00 0.00 O ATOM 2242 OXT SER A 149 8.804 -3.144 4.676 1.00 0.00 O1- ATOM 0 H SER A 149 10.318 -1.520 3.195 1.00 0.00 H new ATOM 0 HA SER A 149 8.946 0.052 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.712 -0.584 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 149 7.525 0.275 3.150 1.00 0.00 H new ATOM 0 HG SER A 149 8.070 -2.457 3.198 1.00 0.00 H new