USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HD1:sc= -0.15 X(o=-0.18,f=-0.31) USER MOD Set 1.2: A 134 HIS : no HE2:sc= -0.0291 K(o=-0.18,f=-0.72) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.649 USER MOD Set 2.2: A 100 THR OG1 : rot -68:sc= 0.738 USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.427 USER MOD Set 3.2: A 81 TYR OH : rot -23:sc= 0.458 USER MOD Set 4.1: A 7 THR OG1 : rot -156:sc= -0.374 USER MOD Set 4.2: A 121 GLN : amide:sc= 0.774 K(o=0.89,f=-2.6) USER MOD Set 4.3: A 125 ASN : amide:sc= 0.487 K(o=0.89,f=-3.5) USER MOD Set 5.1: A 4 THR OG1 : rot -76:sc= 0.821 USER MOD Set 5.2: A 104 SER OG : rot 180:sc= 0.715 USER MOD Single : A 1 MET CE :methyl -124:sc= -0.11 (180deg=-0.313) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.000924 (180deg=-0.181) USER MOD Single : A 2 ASN : amide:sc=-0.00615 X(o=-0.0061,f=-0.051) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 64:sc= 0.163 USER MOD Single : A 22 THR OG1 : rot 66:sc= 0.874 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.255 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 THR OG1 : rot 172:sc= 0.0617 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0.83 (180deg=0.827) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.19) USER MOD Single : A 116 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.16) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 126 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 65:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.501 13.335 13.654 1.00 0.00 N ATOM 2 CA MET A 1 -1.002 13.893 12.403 1.00 0.00 C ATOM 3 C MET A 1 -1.390 13.010 11.221 1.00 0.00 C ATOM 4 O MET A 1 -1.111 11.812 11.213 1.00 0.00 O ATOM 5 CB MET A 1 0.515 14.060 12.466 1.00 0.00 C ATOM 6 CG MET A 1 0.996 15.046 13.521 1.00 0.00 C ATOM 7 SD MET A 1 0.434 16.731 13.208 1.00 0.00 S ATOM 8 CE MET A 1 1.392 17.142 11.753 1.00 0.00 C ATOM 0 H1 MET A 1 -1.422 14.047 14.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.498 13.061 13.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.939 12.498 13.909 1.00 0.00 H new ATOM 0 HA MET A 1 -1.458 14.873 12.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.967 13.088 12.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.873 14.388 11.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.641 14.725 14.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.085 15.031 13.556 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.970 18.047 11.941 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.070 16.321 11.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.721 17.309 10.911 1.00 0.00 H new ATOM 20 N ASN A 2 -2.036 13.610 10.227 1.00 0.00 N ATOM 21 CA ASN A 2 -2.378 12.900 9.000 1.00 0.00 C ATOM 22 C ASN A 2 -1.368 13.202 7.897 1.00 0.00 C ATOM 23 O ASN A 2 -1.090 14.364 7.598 1.00 0.00 O ATOM 24 CB ASN A 2 -3.784 13.236 8.535 1.00 0.00 C ATOM 25 CG ASN A 2 -4.858 12.792 9.488 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.050 11.595 9.726 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.614 13.746 9.971 1.00 0.00 N ATOM 0 H ASN A 2 -2.333 14.586 10.247 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.343 11.833 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.862 14.314 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.957 12.771 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.404 13.515 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.413 14.720 9.744 1.00 0.00 H new ATOM 34 N ILE A 3 -0.825 12.150 7.295 1.00 0.00 N ATOM 35 CA ILE A 3 0.144 12.302 6.217 1.00 0.00 C ATOM 36 C ILE A 3 -0.423 11.803 4.893 1.00 0.00 C ATOM 37 O ILE A 3 -0.991 10.711 4.820 1.00 0.00 O ATOM 38 CB ILE A 3 1.452 11.549 6.523 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.093 12.092 7.803 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.416 11.663 5.352 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.267 11.275 8.290 1.00 0.00 C ATOM 0 H ILE A 3 -1.040 11.182 7.536 1.00 0.00 H new ATOM 0 HA ILE A 3 0.361 13.367 6.136 1.00 0.00 H new ATOM 0 HB ILE A 3 1.219 10.495 6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.423 13.116 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.338 12.131 8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.335 11.126 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.959 11.232 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.645 12.713 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.668 11.721 9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.940 10.256 8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.041 11.257 7.523 1.00 0.00 H new ATOM 53 N THR A 4 -0.264 12.606 3.845 1.00 0.00 N ATOM 54 CA THR A 4 -0.725 12.228 2.516 1.00 0.00 C ATOM 55 C THR A 4 0.446 12.064 1.554 1.00 0.00 C ATOM 56 O THR A 4 1.335 12.914 1.492 1.00 0.00 O ATOM 57 CB THR A 4 -1.707 13.266 1.942 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.856 13.364 2.794 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.151 12.865 0.543 1.00 0.00 C ATOM 0 H THR A 4 0.181 13.523 3.892 1.00 0.00 H new ATOM 0 HA THR A 4 -1.241 11.274 2.622 1.00 0.00 H new ATOM 0 HB THR A 4 -1.202 14.230 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.437 12.588 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.845 13.610 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.281 12.802 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.646 11.895 0.582 1.00 0.00 H new ATOM 67 N VAL A 5 0.442 10.967 0.805 1.00 0.00 N ATOM 68 CA VAL A 5 1.498 10.697 -0.163 1.00 0.00 C ATOM 69 C VAL A 5 0.917 10.379 -1.537 1.00 0.00 C ATOM 70 O VAL A 5 -0.221 9.927 -1.650 1.00 0.00 O ATOM 71 CB VAL A 5 2.395 9.530 0.289 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.095 9.872 1.596 1.00 0.00 C ATOM 73 CG2 VAL A 5 1.575 8.258 0.443 1.00 0.00 C ATOM 0 H VAL A 5 -0.282 10.250 0.850 1.00 0.00 H new ATOM 0 HA VAL A 5 2.103 11.601 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 5 3.154 9.362 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.725 9.036 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.712 10.760 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.350 10.065 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.224 7.443 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.796 8.415 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.116 8.003 -0.512 1.00 0.00 H new ATOM 83 N GLU A 6 1.708 10.618 -2.578 1.00 0.00 N ATOM 84 CA GLU A 6 1.265 10.378 -3.946 1.00 0.00 C ATOM 85 C GLU A 6 2.386 9.769 -4.782 1.00 0.00 C ATOM 86 O GLU A 6 3.547 10.160 -4.665 1.00 0.00 O ATOM 87 CB GLU A 6 0.774 11.679 -4.587 1.00 0.00 C ATOM 88 CG GLU A 6 0.286 11.527 -6.021 1.00 0.00 C ATOM 89 CD GLU A 6 -0.088 12.856 -6.614 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.954 13.503 -6.075 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.565 13.278 -7.539 1.00 0.00 O ATOM 0 H GLU A 6 2.659 10.978 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 6 0.437 9.669 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.036 12.085 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.584 12.408 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.065 11.063 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.576 10.860 -6.045 1.00 0.00 H new ATOM 98 N THR A 7 2.028 8.807 -5.628 1.00 0.00 N ATOM 99 CA THR A 7 2.948 8.298 -6.638 1.00 0.00 C ATOM 100 C THR A 7 2.225 8.024 -7.951 1.00 0.00 C ATOM 101 O THR A 7 1.201 7.339 -7.978 1.00 0.00 O ATOM 102 CB THR A 7 3.646 7.008 -6.168 1.00 0.00 C ATOM 103 OG1 THR A 7 4.389 7.272 -4.971 1.00 0.00 O ATOM 104 CG2 THR A 7 4.590 6.491 -7.242 1.00 0.00 C ATOM 0 H THR A 7 1.109 8.365 -5.634 1.00 0.00 H new ATOM 0 HA THR A 7 3.701 9.070 -6.795 1.00 0.00 H new ATOM 0 HB THR A 7 2.885 6.252 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.109 6.614 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.074 5.579 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.026 6.277 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.347 7.245 -7.455 1.00 0.00 H new ATOM 112 N THR A 8 2.764 8.561 -9.042 1.00 0.00 N ATOM 113 CA THR A 8 2.208 8.320 -10.367 1.00 0.00 C ATOM 114 C THR A 8 3.091 7.371 -11.171 1.00 0.00 C ATOM 115 O THR A 8 4.288 7.611 -11.334 1.00 0.00 O ATOM 116 CB THR A 8 2.031 9.632 -11.153 1.00 0.00 C ATOM 117 OG1 THR A 8 1.128 10.495 -10.450 1.00 0.00 O ATOM 118 CG2 THR A 8 1.480 9.351 -12.543 1.00 0.00 C ATOM 0 H THR A 8 3.585 9.166 -9.033 1.00 0.00 H new ATOM 0 HA THR A 8 1.230 7.863 -10.219 1.00 0.00 H new ATOM 0 HB THR A 8 3.004 10.114 -11.250 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.017 11.330 -10.950 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.361 10.290 -13.084 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.171 8.705 -13.085 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.512 8.857 -12.458 1.00 0.00 H new ATOM 126 N VAL A 9 2.495 6.294 -11.671 1.00 0.00 N ATOM 127 CA VAL A 9 3.252 5.238 -12.332 1.00 0.00 C ATOM 128 C VAL A 9 2.749 5.007 -13.753 1.00 0.00 C ATOM 129 O VAL A 9 1.570 5.212 -14.045 1.00 0.00 O ATOM 130 CB VAL A 9 3.178 3.914 -11.550 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.801 4.075 -10.171 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.736 3.446 -11.429 1.00 0.00 C ATOM 0 H VAL A 9 1.489 6.130 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 9 4.290 5.570 -12.366 1.00 0.00 H new ATOM 0 HB VAL A 9 3.741 3.159 -12.098 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.740 3.130 -9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.846 4.367 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.264 4.844 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.703 2.509 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.152 4.201 -10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.319 3.293 -12.424 1.00 0.00 H new ATOM 142 N ALA A 10 3.649 4.581 -14.632 1.00 0.00 N ATOM 143 CA ALA A 10 3.290 4.292 -16.014 1.00 0.00 C ATOM 144 C ALA A 10 2.797 2.858 -16.166 1.00 0.00 C ATOM 145 O ALA A 10 3.464 2.024 -16.779 1.00 0.00 O ATOM 146 CB ALA A 10 4.476 4.545 -16.933 1.00 0.00 C ATOM 0 H ALA A 10 4.633 4.428 -14.411 1.00 0.00 H new ATOM 0 HA ALA A 10 2.476 4.960 -16.298 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.192 4.325 -17.962 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.780 5.589 -16.856 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.307 3.903 -16.640 1.00 0.00 H new ATOM 152 N ALA A 11 1.627 2.575 -15.603 1.00 0.00 N ATOM 153 CA ALA A 11 1.037 1.245 -15.692 1.00 0.00 C ATOM 154 C ALA A 11 -0.486 1.318 -15.688 1.00 0.00 C ATOM 155 O ALA A 11 -1.086 2.242 -15.138 1.00 0.00 O ATOM 156 CB ALA A 11 1.528 0.373 -14.545 1.00 0.00 C ATOM 0 H ALA A 11 1.069 3.250 -15.080 1.00 0.00 H new ATOM 0 HA ALA A 11 1.350 0.798 -16.635 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.080 -0.618 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.613 0.285 -14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.243 0.826 -13.596 1.00 0.00 H new ATOM 162 N PRO A 12 -1.128 0.323 -16.319 1.00 0.00 N ATOM 163 CA PRO A 12 -2.591 0.239 -16.378 1.00 0.00 C ATOM 164 C PRO A 12 -3.215 0.020 -15.005 1.00 0.00 C ATOM 165 O PRO A 12 -2.611 -0.597 -14.127 1.00 0.00 O ATOM 166 CB PRO A 12 -2.855 -0.943 -17.316 1.00 0.00 C ATOM 167 CG PRO A 12 -1.617 -1.769 -17.230 1.00 0.00 C ATOM 168 CD PRO A 12 -0.491 -0.785 -17.064 1.00 0.00 C ATOM 0 HA PRO A 12 -3.040 1.166 -16.733 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.733 -1.509 -17.004 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.038 -0.607 -18.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.663 -2.459 -16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.483 -2.371 -18.129 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.344 -1.216 -16.512 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.100 -0.453 -18.026 1.00 0.00 H new ATOM 176 N VAL A 13 -4.429 0.532 -14.823 1.00 0.00 N ATOM 177 CA VAL A 13 -5.062 0.553 -13.509 1.00 0.00 C ATOM 178 C VAL A 13 -5.159 -0.851 -12.924 1.00 0.00 C ATOM 179 O VAL A 13 -4.970 -1.050 -11.725 1.00 0.00 O ATOM 180 CB VAL A 13 -6.471 1.173 -13.570 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.185 1.002 -12.238 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.389 2.645 -13.944 1.00 0.00 C ATOM 0 H VAL A 13 -4.994 0.938 -15.569 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.433 1.169 -12.866 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.044 0.653 -14.338 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.179 1.446 -12.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.275 -0.059 -12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.614 1.497 -11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.393 3.067 -13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.800 3.178 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.915 2.746 -14.920 1.00 0.00 H new ATOM 192 N GLY A 14 -5.456 -1.825 -13.779 1.00 0.00 N ATOM 193 CA GLY A 14 -5.602 -3.195 -13.324 1.00 0.00 C ATOM 194 C GLY A 14 -4.330 -3.738 -12.706 1.00 0.00 C ATOM 195 O GLY A 14 -4.359 -4.344 -11.635 1.00 0.00 O ATOM 0 H GLY A 14 -5.598 -1.689 -14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.409 -3.248 -12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.892 -3.825 -14.165 1.00 0.00 H new ATOM 199 N LYS A 15 -3.206 -3.524 -13.383 1.00 0.00 N ATOM 200 CA LYS A 15 -1.914 -3.980 -12.886 1.00 0.00 C ATOM 201 C LYS A 15 -1.512 -3.208 -11.633 1.00 0.00 C ATOM 202 O LYS A 15 -0.950 -3.776 -10.695 1.00 0.00 O ATOM 203 CB LYS A 15 -0.841 -3.831 -13.965 1.00 0.00 C ATOM 204 CG LYS A 15 -0.959 -4.826 -15.112 1.00 0.00 C ATOM 205 CD LYS A 15 0.207 -4.695 -16.081 1.00 0.00 C ATOM 206 CE LYS A 15 0.057 -5.647 -17.258 1.00 0.00 C ATOM 207 NZ LYS A 15 1.188 -5.526 -18.219 1.00 0.00 N ATOM 0 H LYS A 15 -3.165 -3.037 -14.278 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.005 -5.035 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.889 -2.820 -14.371 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.140 -3.943 -13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.992 -5.840 -14.714 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.896 -4.662 -15.644 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.266 -3.669 -16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.141 -4.903 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.001 -6.672 -16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.881 -5.441 -17.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.048 -6.191 -19.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.227 -4.555 -18.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.081 -5.747 -17.734 1.00 0.00 H new ATOM 221 N VAL A 16 -1.805 -1.912 -11.620 1.00 0.00 N ATOM 222 CA VAL A 16 -1.506 -1.071 -10.469 1.00 0.00 C ATOM 223 C VAL A 16 -2.345 -1.472 -9.260 1.00 0.00 C ATOM 224 O VAL A 16 -1.842 -1.544 -8.139 1.00 0.00 O ATOM 225 CB VAL A 16 -1.749 0.419 -10.778 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.632 1.252 -9.511 1.00 0.00 C ATOM 227 CG2 VAL A 16 -0.767 0.911 -11.830 1.00 0.00 C ATOM 0 H VAL A 16 -2.250 -1.421 -12.396 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.450 -1.217 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.760 0.529 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.807 2.301 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.372 0.916 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.633 1.136 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.953 1.965 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.252 0.787 -11.463 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.895 0.334 -12.746 1.00 0.00 H new ATOM 237 N TRP A 17 -3.625 -1.734 -9.498 1.00 0.00 N ATOM 238 CA TRP A 17 -4.523 -2.180 -8.439 1.00 0.00 C ATOM 239 C TRP A 17 -4.028 -3.483 -7.820 1.00 0.00 C ATOM 240 O TRP A 17 -3.931 -3.603 -6.598 1.00 0.00 O ATOM 241 CB TRP A 17 -5.943 -2.361 -8.980 1.00 0.00 C ATOM 242 CG TRP A 17 -6.907 -2.891 -7.963 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.256 -4.194 -7.772 1.00 0.00 C ATOM 244 CD2 TRP A 17 -7.647 -2.132 -7.000 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.168 -4.295 -6.750 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.423 -3.040 -6.258 1.00 0.00 C ATOM 247 CE3 TRP A 17 -7.726 -0.768 -6.691 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.266 -2.636 -5.234 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.570 -0.362 -5.664 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.317 -1.270 -4.956 1.00 0.00 C ATOM 0 H TRP A 17 -4.064 -1.645 -10.414 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.537 -1.413 -7.664 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.307 -1.402 -9.349 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -5.915 -3.041 -9.831 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.871 -5.027 -8.342 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.587 -5.161 -6.412 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.142 -0.045 -7.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.857 -3.347 -4.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.639 0.687 -5.419 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.961 -0.918 -4.163 1.00 0.00 H new ATOM 261 N ARG A 18 -3.715 -4.456 -8.669 1.00 0.00 N ATOM 262 CA ARG A 18 -3.281 -5.767 -8.203 1.00 0.00 C ATOM 263 C ARG A 18 -1.934 -5.673 -7.494 1.00 0.00 C ATOM 264 O ARG A 18 -1.688 -6.371 -6.511 1.00 0.00 O ATOM 265 CB ARG A 18 -3.255 -6.796 -9.324 1.00 0.00 C ATOM 266 CG ARG A 18 -4.622 -7.254 -9.805 1.00 0.00 C ATOM 267 CD ARG A 18 -4.584 -8.224 -10.928 1.00 0.00 C ATOM 268 NE ARG A 18 -5.889 -8.683 -11.374 1.00 0.00 N ATOM 269 CZ ARG A 18 -6.092 -9.540 -12.394 1.00 0.00 C ATOM 270 NH1 ARG A 18 -5.084 -10.003 -13.100 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.335 -9.884 -12.683 1.00 0.00 N ATOM 0 H ARG A 18 -3.754 -4.361 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.018 -6.116 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.710 -6.376 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.695 -7.667 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.155 -7.706 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.196 -6.381 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.067 -7.765 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.993 -9.088 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.709 -8.332 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.131 -9.714 -12.879 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.255 -10.651 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.109 -9.503 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.520 -10.531 -13.450 1.00 0.00 H new ATOM 285 N ALA A 19 -1.062 -4.805 -8.001 1.00 0.00 N ATOM 286 CA ALA A 19 0.293 -4.691 -7.480 1.00 0.00 C ATOM 287 C ALA A 19 0.292 -4.096 -6.075 1.00 0.00 C ATOM 288 O ALA A 19 1.188 -4.366 -5.275 1.00 0.00 O ATOM 289 CB ALA A 19 1.146 -3.844 -8.411 1.00 0.00 C ATOM 0 H ALA A 19 -1.272 -4.171 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 19 0.720 -5.692 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.156 -3.767 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.181 -4.309 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.712 -2.848 -8.496 1.00 0.00 H new ATOM 295 N TYR A 20 -0.720 -3.288 -5.779 1.00 0.00 N ATOM 296 CA TYR A 20 -0.791 -2.585 -4.505 1.00 0.00 C ATOM 297 C TYR A 20 -0.785 -3.569 -3.339 1.00 0.00 C ATOM 298 O TYR A 20 -0.288 -3.263 -2.254 1.00 0.00 O ATOM 299 CB TYR A 20 -2.041 -1.705 -4.445 1.00 0.00 C ATOM 300 CG TYR A 20 -2.133 -0.853 -3.200 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.270 0.215 -3.002 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.084 -1.118 -2.225 1.00 0.00 C ATOM 303 CE1 TYR A 20 -1.349 0.997 -1.865 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.172 -0.343 -1.085 1.00 0.00 C ATOM 305 CZ TYR A 20 -2.303 0.714 -0.908 1.00 0.00 C ATOM 306 OH TYR A 20 -2.388 1.489 0.225 1.00 0.00 O ATOM 0 H TYR A 20 -1.503 -3.104 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 20 0.090 -1.948 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.058 -1.055 -5.320 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.924 -2.341 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.523 0.439 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.767 -1.944 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.669 1.824 -1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.918 -0.563 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.096 2.402 0.020 1.00 0.00 H new ATOM 316 N THR A 21 -1.337 -4.755 -3.571 1.00 0.00 N ATOM 317 CA THR A 21 -1.413 -5.780 -2.537 1.00 0.00 C ATOM 318 C THR A 21 -0.948 -7.131 -3.069 1.00 0.00 C ATOM 319 O THR A 21 -1.680 -8.120 -3.006 1.00 0.00 O ATOM 320 CB THR A 21 -2.844 -5.921 -1.984 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.744 -6.237 -3.055 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.288 -4.628 -1.319 1.00 0.00 C ATOM 0 H THR A 21 -1.739 -5.030 -4.467 1.00 0.00 H new ATOM 0 HA THR A 21 -0.753 -5.463 -1.730 1.00 0.00 H new ATOM 0 HB THR A 21 -2.854 -6.721 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.511 -7.112 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.301 -4.746 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.613 -4.391 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.269 -3.818 -2.049 1.00 0.00 H new ATOM 330 N THR A 22 0.273 -7.169 -3.590 1.00 0.00 N ATOM 331 CA THR A 22 0.935 -8.431 -3.897 1.00 0.00 C ATOM 332 C THR A 22 2.201 -8.604 -3.065 1.00 0.00 C ATOM 333 O THR A 22 3.084 -7.746 -3.047 1.00 0.00 O ATOM 334 CB THR A 22 1.296 -8.531 -5.390 1.00 0.00 C ATOM 335 OG1 THR A 22 0.100 -8.466 -6.179 1.00 0.00 O ATOM 336 CG2 THR A 22 2.018 -9.838 -5.678 1.00 0.00 C ATOM 0 H THR A 22 0.825 -6.340 -3.809 1.00 0.00 H new ATOM 0 HA THR A 22 0.230 -9.225 -3.650 1.00 0.00 H new ATOM 0 HB THR A 22 1.954 -7.700 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.309 -7.581 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.265 -9.891 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.934 -9.885 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.373 -10.676 -5.413 1.00 0.00 H new ATOM 344 N PRO A 23 2.294 -9.740 -2.357 1.00 0.00 N ATOM 345 CA PRO A 23 3.425 -10.029 -1.471 1.00 0.00 C ATOM 346 C PRO A 23 4.738 -10.172 -2.235 1.00 0.00 C ATOM 347 O PRO A 23 5.805 -9.841 -1.719 1.00 0.00 O ATOM 348 CB PRO A 23 3.038 -11.361 -0.824 1.00 0.00 C ATOM 349 CG PRO A 23 2.013 -11.942 -1.736 1.00 0.00 C ATOM 350 CD PRO A 23 1.251 -10.773 -2.301 1.00 0.00 C ATOM 0 HA PRO A 23 3.597 -9.225 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.901 -12.020 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.637 -11.212 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.482 -12.523 -2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.349 -12.617 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.837 -10.991 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.418 -10.480 -1.662 1.00 0.00 H new ATOM 358 N GLU A 24 4.650 -10.665 -3.466 1.00 0.00 N ATOM 359 CA GLU A 24 5.817 -10.758 -4.336 1.00 0.00 C ATOM 360 C GLU A 24 6.343 -9.371 -4.690 1.00 0.00 C ATOM 361 O GLU A 24 7.540 -9.186 -4.911 1.00 0.00 O ATOM 362 CB GLU A 24 5.478 -11.535 -5.609 1.00 0.00 C ATOM 363 CG GLU A 24 5.244 -13.024 -5.394 1.00 0.00 C ATOM 364 CD GLU A 24 4.848 -13.706 -6.674 1.00 0.00 C ATOM 365 OE1 GLU A 24 4.702 -13.030 -7.664 1.00 0.00 O ATOM 366 OE2 GLU A 24 4.803 -14.914 -6.691 1.00 0.00 O ATOM 0 H GLU A 24 3.784 -11.006 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 24 6.597 -11.294 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.585 -11.101 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.290 -11.407 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.151 -13.483 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.464 -13.167 -4.647 1.00 0.00 H new ATOM 373 N ASP A 25 5.441 -8.398 -4.743 1.00 0.00 N ATOM 374 CA ASP A 25 5.827 -7.006 -4.938 1.00 0.00 C ATOM 375 C ASP A 25 6.328 -6.391 -3.636 1.00 0.00 C ATOM 376 O ASP A 25 7.317 -5.656 -3.623 1.00 0.00 O ATOM 377 CB ASP A 25 4.651 -6.194 -5.487 1.00 0.00 C ATOM 378 CG ASP A 25 4.228 -6.575 -6.899 1.00 0.00 C ATOM 379 OD1 ASP A 25 4.942 -7.316 -7.533 1.00 0.00 O ATOM 380 OD2 ASP A 25 3.126 -6.253 -7.275 1.00 0.00 O ATOM 0 H ASP A 25 4.436 -8.548 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 25 6.640 -6.982 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.798 -6.316 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.917 -5.137 -5.473 1.00 0.00 H new ATOM 385 N ILE A 26 5.640 -6.696 -2.539 1.00 0.00 N ATOM 386 CA ILE A 26 5.973 -6.118 -1.244 1.00 0.00 C ATOM 387 C ILE A 26 7.414 -6.429 -0.857 1.00 0.00 C ATOM 388 O ILE A 26 8.131 -5.568 -0.345 1.00 0.00 O ATOM 389 CB ILE A 26 5.031 -6.631 -0.139 1.00 0.00 C ATOM 390 CG1 ILE A 26 3.617 -6.084 -0.346 1.00 0.00 C ATOM 391 CG2 ILE A 26 5.561 -6.243 1.233 1.00 0.00 C ATOM 392 CD1 ILE A 26 2.571 -6.751 0.517 1.00 0.00 C ATOM 0 H ILE A 26 4.849 -7.340 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 26 5.852 -5.039 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 26 4.990 -7.719 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.618 -5.014 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.341 -6.205 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.884 -6.613 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.549 -6.680 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.631 -5.157 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.596 -6.309 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.540 -7.817 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.821 -6.608 1.568 1.00 0.00 H new ATOM 604 N ALA A 40 4.621 -12.968 2.740 1.00 0.00 N ATOM 605 CA ALA A 40 3.385 -13.545 2.228 1.00 0.00 C ATOM 606 C ALA A 40 2.174 -12.733 2.671 1.00 0.00 C ATOM 607 O ALA A 40 2.055 -12.366 3.840 1.00 0.00 O ATOM 608 CB ALA A 40 3.249 -14.992 2.685 1.00 0.00 C ATOM 0 HA ALA A 40 3.426 -13.521 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.321 -15.411 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.093 -15.572 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.235 -15.030 3.774 1.00 0.00 H new ATOM 614 N ALA A 41 1.276 -12.456 1.730 1.00 0.00 N ATOM 615 CA ALA A 41 0.117 -11.617 2.005 1.00 0.00 C ATOM 616 C ALA A 41 -1.160 -12.252 1.468 1.00 0.00 C ATOM 617 O ALA A 41 -1.187 -12.771 0.351 1.00 0.00 O ATOM 618 CB ALA A 41 0.313 -10.233 1.404 1.00 0.00 C ATOM 0 H ALA A 41 1.330 -12.801 0.771 1.00 0.00 H new ATOM 0 HA ALA A 41 0.017 -11.521 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.560 -9.617 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.199 -9.770 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.441 -10.320 0.325 1.00 0.00 H new ATOM 624 N THR A 42 -2.220 -12.210 2.270 1.00 0.00 N ATOM 625 CA THR A 42 -3.538 -12.639 1.819 1.00 0.00 C ATOM 626 C THR A 42 -4.566 -11.526 1.986 1.00 0.00 C ATOM 627 O THR A 42 -4.701 -10.947 3.063 1.00 0.00 O ATOM 628 CB THR A 42 -4.017 -13.887 2.582 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.096 -14.965 2.369 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.400 -14.306 2.106 1.00 0.00 C ATOM 0 H THR A 42 -2.191 -11.883 3.236 1.00 0.00 H new ATOM 0 HA THR A 42 -3.444 -12.886 0.762 1.00 0.00 H new ATOM 0 HB THR A 42 -4.066 -13.647 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.402 -15.758 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.722 -15.190 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.106 -13.494 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.364 -14.535 1.041 1.00 0.00 H new ATOM 638 N VAL A 43 -5.290 -11.231 0.911 1.00 0.00 N ATOM 639 CA VAL A 43 -6.246 -10.130 0.913 1.00 0.00 C ATOM 640 C VAL A 43 -7.598 -10.575 0.361 1.00 0.00 C ATOM 641 O VAL A 43 -7.684 -11.107 -0.745 1.00 0.00 O ATOM 642 CB VAL A 43 -5.733 -8.935 0.089 1.00 0.00 C ATOM 643 CG1 VAL A 43 -6.749 -7.802 0.104 1.00 0.00 C ATOM 644 CG2 VAL A 43 -4.394 -8.454 0.625 1.00 0.00 C ATOM 0 H VAL A 43 -5.233 -11.739 0.028 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.365 -9.818 1.950 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.595 -9.262 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.370 -6.966 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.689 -8.150 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.917 -7.478 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.046 -7.609 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.508 -8.144 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.666 -9.263 0.565 1.00 0.00 H new ATOM 654 N ASP A 44 -8.650 -10.350 1.141 1.00 0.00 N ATOM 655 CA ASP A 44 -10.013 -10.496 0.643 1.00 0.00 C ATOM 656 C ASP A 44 -10.554 -9.161 0.142 1.00 0.00 C ATOM 657 O ASP A 44 -10.856 -8.266 0.932 1.00 0.00 O ATOM 658 CB ASP A 44 -10.927 -11.059 1.735 1.00 0.00 C ATOM 659 CG ASP A 44 -12.351 -11.344 1.278 1.00 0.00 C ATOM 660 OD1 ASP A 44 -12.662 -11.049 0.148 1.00 0.00 O ATOM 661 OD2 ASP A 44 -13.067 -11.993 2.002 1.00 0.00 O ATOM 0 H ASP A 44 -8.585 -10.066 2.119 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.993 -11.196 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.490 -11.981 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.959 -10.353 2.565 1.00 0.00 H new ATOM 666 N LEU A 45 -10.674 -9.034 -1.175 1.00 0.00 N ATOM 667 CA LEU A 45 -11.035 -7.762 -1.792 1.00 0.00 C ATOM 668 C LEU A 45 -12.546 -7.553 -1.761 1.00 0.00 C ATOM 669 O LEU A 45 -13.251 -7.907 -2.708 1.00 0.00 O ATOM 670 CB LEU A 45 -10.514 -7.703 -3.233 1.00 0.00 C ATOM 671 CG LEU A 45 -8.987 -7.714 -3.376 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.601 -7.767 -4.848 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.405 -6.476 -2.711 1.00 0.00 C ATOM 0 H LEU A 45 -10.527 -9.796 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.570 -6.959 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.921 -8.551 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.901 -6.800 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.582 -8.599 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.515 -7.774 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.009 -8.672 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.002 -6.893 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.320 -6.484 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.807 -5.583 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.670 -6.472 -1.654 1.00 0.00 H new ATOM 685 N ARG A 46 -13.035 -6.973 -0.671 1.00 0.00 N ATOM 686 CA ARG A 46 -14.456 -6.673 -0.538 1.00 0.00 C ATOM 687 C ARG A 46 -14.704 -5.726 0.632 1.00 0.00 C ATOM 688 O ARG A 46 -13.874 -5.603 1.531 1.00 0.00 O ATOM 689 CB ARG A 46 -15.303 -7.931 -0.428 1.00 0.00 C ATOM 690 CG ARG A 46 -15.085 -8.740 0.841 1.00 0.00 C ATOM 691 CD ARG A 46 -15.911 -9.972 0.931 1.00 0.00 C ATOM 692 NE ARG A 46 -15.582 -10.836 2.054 1.00 0.00 N ATOM 693 CZ ARG A 46 -16.092 -10.705 3.295 1.00 0.00 C ATOM 694 NH1 ARG A 46 -16.921 -9.728 3.586 1.00 0.00 N ATOM 695 NH2 ARG A 46 -15.716 -11.573 4.218 1.00 0.00 N ATOM 0 H ARG A 46 -12.469 -6.701 0.133 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.768 -6.169 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -16.355 -7.650 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.095 -8.568 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.033 -9.017 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.301 -8.108 1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.960 -9.687 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.798 -10.539 0.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.919 -11.594 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.188 -9.054 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.298 -9.643 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.058 -12.315 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.084 -11.500 5.166 1.00 0.00 H new ATOM 709 N GLU A 47 -15.853 -5.056 0.611 1.00 0.00 N ATOM 710 CA GLU A 47 -16.300 -4.271 1.756 1.00 0.00 C ATOM 711 C GLU A 47 -16.477 -5.157 2.987 1.00 0.00 C ATOM 712 O GLU A 47 -17.268 -6.098 2.978 1.00 0.00 O ATOM 713 CB GLU A 47 -17.609 -3.547 1.434 1.00 0.00 C ATOM 714 CG GLU A 47 -18.164 -2.711 2.579 1.00 0.00 C ATOM 715 CD GLU A 47 -19.386 -1.946 2.153 1.00 0.00 C ATOM 716 OE1 GLU A 47 -20.349 -2.566 1.772 1.00 0.00 O ATOM 717 OE2 GLU A 47 -19.399 -0.749 2.316 1.00 0.00 O ATOM 0 H GLU A 47 -16.490 -5.041 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 47 -15.534 -3.527 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -17.449 -2.900 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -18.356 -4.285 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -18.413 -3.360 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.400 -2.016 2.928 1.00 0.00 H new ATOM 724 N GLY A 48 -15.732 -4.847 4.045 1.00 0.00 N ATOM 725 CA GLY A 48 -15.758 -5.672 5.237 1.00 0.00 C ATOM 726 C GLY A 48 -14.760 -6.811 5.176 1.00 0.00 C ATOM 727 O GLY A 48 -14.590 -7.551 6.144 1.00 0.00 O ATOM 0 H GLY A 48 -15.112 -4.039 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.545 -5.053 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.760 -6.078 5.372 1.00 0.00 H new ATOM 731 N GLY A 49 -14.097 -6.955 4.032 1.00 0.00 N ATOM 732 CA GLY A 49 -13.189 -8.069 3.836 1.00 0.00 C ATOM 733 C GLY A 49 -11.914 -7.928 4.643 1.00 0.00 C ATOM 734 O GLY A 49 -11.469 -6.816 4.923 1.00 0.00 O ATOM 0 H GLY A 49 -14.173 -6.319 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.691 -8.996 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.939 -8.148 2.778 1.00 0.00 H new ATOM 738 N ALA A 50 -11.325 -9.059 5.018 1.00 0.00 N ATOM 739 CA ALA A 50 -10.147 -9.058 5.878 1.00 0.00 C ATOM 740 C ALA A 50 -8.873 -9.264 5.065 1.00 0.00 C ATOM 741 O ALA A 50 -8.895 -9.901 4.012 1.00 0.00 O ATOM 742 CB ALA A 50 -10.274 -10.133 6.946 1.00 0.00 C ATOM 0 H ALA A 50 -11.644 -9.987 4.740 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.082 -8.084 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.388 -10.121 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.158 -9.940 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.367 -11.109 6.470 1.00 0.00 H new ATOM 748 N PHE A 51 -7.766 -8.722 5.561 1.00 0.00 N ATOM 749 CA PHE A 51 -6.461 -8.965 4.959 1.00 0.00 C ATOM 750 C PHE A 51 -5.386 -9.115 6.032 1.00 0.00 C ATOM 751 O PHE A 51 -5.533 -8.614 7.147 1.00 0.00 O ATOM 752 CB PHE A 51 -6.095 -7.831 3.999 1.00 0.00 C ATOM 753 CG PHE A 51 -5.930 -6.498 4.670 1.00 0.00 C ATOM 754 CD1 PHE A 51 -7.010 -5.641 4.821 1.00 0.00 C ATOM 755 CD2 PHE A 51 -4.693 -6.096 5.154 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.860 -4.415 5.438 1.00 0.00 C ATOM 757 CE2 PHE A 51 -4.540 -4.871 5.773 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.623 -4.029 5.914 1.00 0.00 C ATOM 0 H PHE A 51 -7.747 -8.112 6.378 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.516 -9.897 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.168 -8.087 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.869 -7.750 3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.981 -5.936 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.840 -6.749 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.710 -3.758 5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.572 -4.572 6.147 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.504 -3.070 6.396 1.00 0.00 H new ATOM 768 N SER A 52 -4.307 -9.808 5.688 1.00 0.00 N ATOM 769 CA SER A 52 -3.201 -10.014 6.616 1.00 0.00 C ATOM 770 C SER A 52 -1.906 -10.299 5.862 1.00 0.00 C ATOM 771 O SER A 52 -1.901 -11.021 4.865 1.00 0.00 O ATOM 772 CB SER A 52 -3.521 -11.149 7.569 1.00 0.00 C ATOM 773 OG SER A 52 -2.464 -11.413 8.449 1.00 0.00 O ATOM 0 H SER A 52 -4.174 -10.237 4.772 1.00 0.00 H new ATOM 0 HA SER A 52 -3.062 -9.100 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.415 -10.900 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.749 -12.048 6.997 1.00 0.00 H new ATOM 0 HG SER A 52 -2.006 -10.575 8.671 1.00 0.00 H new ATOM 779 N SER A 53 -0.808 -9.729 6.348 1.00 0.00 N ATOM 780 CA SER A 53 0.498 -9.937 5.733 1.00 0.00 C ATOM 781 C SER A 53 1.516 -10.409 6.768 1.00 0.00 C ATOM 782 O SER A 53 1.719 -9.761 7.795 1.00 0.00 O ATOM 783 CB SER A 53 0.974 -8.662 5.065 1.00 0.00 C ATOM 784 OG SER A 53 2.242 -8.811 4.489 1.00 0.00 O ATOM 0 H SER A 53 -0.797 -9.120 7.166 1.00 0.00 H new ATOM 0 HA SER A 53 0.400 -10.713 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.259 -8.367 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.002 -7.857 5.799 1.00 0.00 H new ATOM 0 HG SER A 53 2.511 -7.968 4.068 1.00 0.00 H new ATOM 790 N ARG A 54 2.152 -11.542 6.488 1.00 0.00 N ATOM 791 CA ARG A 54 3.136 -12.110 7.402 1.00 0.00 C ATOM 792 C ARG A 54 4.542 -12.011 6.817 1.00 0.00 C ATOM 793 O ARG A 54 4.809 -12.519 5.727 1.00 0.00 O ATOM 794 CB ARG A 54 2.793 -13.539 7.800 1.00 0.00 C ATOM 795 CG ARG A 54 3.750 -14.172 8.797 1.00 0.00 C ATOM 796 CD ARG A 54 3.389 -15.555 9.198 1.00 0.00 C ATOM 797 NE ARG A 54 4.243 -16.127 10.227 1.00 0.00 N ATOM 798 CZ ARG A 54 5.457 -16.666 10.001 1.00 0.00 C ATOM 799 NH1 ARG A 54 5.947 -16.745 8.784 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.133 -17.137 11.035 1.00 0.00 N ATOM 0 H ARG A 54 2.004 -12.084 5.637 1.00 0.00 H new ATOM 0 HA ARG A 54 3.110 -11.518 8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.789 -13.552 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.768 -14.155 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.751 -14.181 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.792 -13.547 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.359 -15.559 9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.424 -16.196 8.317 1.00 0.00 H new ATOM 0 HE ARG A 54 3.899 -16.120 11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.406 -16.395 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.868 -17.156 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.733 -17.086 11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.055 -17.551 10.896 1.00 0.00 H new ATOM 964 N PHE A 66 1.079 -8.061 10.126 1.00 0.00 N ATOM 965 CA PHE A 66 0.122 -7.000 9.829 1.00 0.00 C ATOM 966 C PHE A 66 -1.255 -7.582 9.519 1.00 0.00 C ATOM 967 O PHE A 66 -1.377 -8.549 8.770 1.00 0.00 O ATOM 968 CB PHE A 66 0.612 -6.148 8.657 1.00 0.00 C ATOM 969 CG PHE A 66 1.805 -5.296 8.984 1.00 0.00 C ATOM 970 CD1 PHE A 66 3.083 -5.836 8.977 1.00 0.00 C ATOM 971 CD2 PHE A 66 1.652 -3.955 9.301 1.00 0.00 C ATOM 972 CE1 PHE A 66 4.182 -5.053 9.278 1.00 0.00 C ATOM 973 CE2 PHE A 66 2.749 -3.171 9.601 1.00 0.00 C ATOM 974 CZ PHE A 66 4.015 -3.720 9.590 1.00 0.00 C ATOM 0 HA PHE A 66 0.037 -6.365 10.711 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.863 -6.804 7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.202 -5.504 8.323 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.221 -6.879 8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.664 -3.519 9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.172 -5.485 9.269 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.616 -2.127 9.844 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.873 -3.107 9.825 1.00 0.00 H new ATOM 984 N ALA A 67 -2.288 -6.984 10.105 1.00 0.00 N ATOM 985 CA ALA A 67 -3.656 -7.428 9.876 1.00 0.00 C ATOM 986 C ALA A 67 -4.624 -6.250 9.888 1.00 0.00 C ATOM 987 O ALA A 67 -4.427 -5.280 10.618 1.00 0.00 O ATOM 988 CB ALA A 67 -4.061 -8.457 10.921 1.00 0.00 C ATOM 0 H ALA A 67 -2.202 -6.191 10.741 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.700 -7.892 8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.086 -8.779 10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.394 -9.317 10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.994 -8.013 11.914 1.00 0.00 H new ATOM 994 N GLY A 68 -5.673 -6.341 9.073 1.00 0.00 N ATOM 995 CA GLY A 68 -6.673 -5.290 9.031 1.00 0.00 C ATOM 996 C GLY A 68 -7.924 -5.712 8.288 1.00 0.00 C ATOM 997 O GLY A 68 -7.975 -6.796 7.705 1.00 0.00 O ATOM 0 H GLY A 68 -5.847 -7.123 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.938 -5.003 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.249 -4.408 8.551 1.00 0.00 H new ATOM 1001 N THR A 69 -8.941 -4.855 8.310 1.00 0.00 N ATOM 1002 CA THR A 69 -10.163 -5.100 7.555 1.00 0.00 C ATOM 1003 C THR A 69 -10.560 -3.875 6.738 1.00 0.00 C ATOM 1004 O THR A 69 -10.281 -2.741 7.128 1.00 0.00 O ATOM 1005 CB THR A 69 -11.332 -5.490 8.480 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.588 -4.424 9.403 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.999 -6.757 9.252 1.00 0.00 C ATOM 0 H THR A 69 -8.942 -3.985 8.843 1.00 0.00 H new ATOM 0 HA THR A 69 -9.954 -5.931 6.881 1.00 0.00 H new ATOM 0 HB THR A 69 -12.217 -5.671 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.333 -4.671 9.990 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.835 -7.018 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.814 -7.572 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.108 -6.590 9.858 1.00 0.00 H new ATOM 1015 N TYR A 70 -11.214 -4.111 5.607 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.747 -3.026 4.791 1.00 0.00 C ATOM 1017 C TYR A 70 -13.050 -2.491 5.379 1.00 0.00 C ATOM 1018 O TYR A 70 -13.850 -3.245 5.935 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.971 -3.497 3.353 1.00 0.00 C ATOM 1020 CG TYR A 70 -10.696 -3.815 2.606 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -9.463 -3.400 3.090 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -10.727 -4.532 1.418 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -8.296 -3.688 2.411 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -9.565 -4.826 0.731 1.00 0.00 C ATOM 1025 CZ TYR A 70 -8.351 -4.403 1.231 1.00 0.00 C ATOM 1026 OH TYR A 70 -7.190 -4.694 0.551 1.00 0.00 O ATOM 0 H TYR A 70 -11.388 -5.044 5.234 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.016 -2.218 4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.603 -4.385 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.516 -2.725 2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.416 -2.842 4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.676 -4.866 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.345 -3.356 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.607 -5.384 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.450 -4.776 1.188 1.00 0.00 H new ATOM 1036 N THR A 71 -13.257 -1.185 5.252 1.00 0.00 N ATOM 1037 CA THR A 71 -14.498 -0.562 5.691 1.00 0.00 C ATOM 1038 C THR A 71 -15.401 -0.238 4.505 1.00 0.00 C ATOM 1039 O THR A 71 -16.625 -0.209 4.633 1.00 0.00 O ATOM 1040 CB THR A 71 -14.231 0.729 6.488 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.583 1.689 5.644 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.348 0.439 7.691 1.00 0.00 C ATOM 0 H THR A 71 -12.580 -0.538 4.848 1.00 0.00 H new ATOM 0 HA THR A 71 -14.999 -1.281 6.339 1.00 0.00 H new ATOM 0 HB THR A 71 -15.184 1.127 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.524 2.548 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.170 1.362 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.844 -0.282 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.396 0.028 7.353 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.790 0.003 3.352 1.00 0.00 N ATOM 1051 CA LYS A 72 -15.536 0.344 2.146 1.00 0.00 C ATOM 1052 C LYS A 72 -14.652 0.229 0.907 1.00 0.00 C ATOM 1053 O LYS A 72 -13.478 0.603 0.933 1.00 0.00 O ATOM 1054 CB LYS A 72 -16.115 1.755 2.254 1.00 0.00 C ATOM 1055 CG LYS A 72 -17.050 2.140 1.115 1.00 0.00 C ATOM 1056 CD LYS A 72 -17.633 3.529 1.324 1.00 0.00 C ATOM 1057 CE LYS A 72 -18.666 3.863 0.258 1.00 0.00 C ATOM 1058 NZ LYS A 72 -19.245 5.220 0.449 1.00 0.00 N ATOM 0 H LYS A 72 -13.778 -0.031 3.226 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.358 -0.365 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.655 1.842 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.293 2.470 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.507 2.109 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.858 1.411 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.094 3.587 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.833 4.268 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.203 3.802 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.465 3.121 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.944 5.408 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.709 5.272 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.487 5.931 0.401 1.00 0.00 H new ATOM 1072 N VAL A 73 -15.222 -0.288 -0.177 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.533 -0.323 -1.461 1.00 0.00 C ATOM 1074 C VAL A 73 -15.477 0.043 -2.601 1.00 0.00 C ATOM 1075 O VAL A 73 -16.596 -0.464 -2.680 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.921 -1.710 -1.737 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -15.006 -2.775 -1.758 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -13.157 -1.703 -3.052 1.00 0.00 C ATOM 0 H VAL A 73 -16.160 -0.689 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.730 0.412 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.222 -1.945 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.557 -3.748 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.513 -2.797 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -15.728 -2.544 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.732 -2.690 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.836 -1.447 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.355 -0.966 -3.003 1.00 0.00 H new ATOM 1088 N VAL A 74 -15.017 0.922 -3.483 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.861 1.448 -4.550 1.00 0.00 C ATOM 1090 C VAL A 74 -15.265 1.145 -5.921 1.00 0.00 C ATOM 1091 O VAL A 74 -14.183 1.624 -6.257 1.00 0.00 O ATOM 1092 CB VAL A 74 -16.065 2.968 -4.413 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.928 3.495 -5.550 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.693 3.304 -3.069 1.00 0.00 C ATOM 0 H VAL A 74 -14.064 1.286 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.828 0.953 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 74 -15.090 3.451 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.062 4.571 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.441 3.288 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.901 3.004 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.829 4.383 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.660 2.809 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.040 2.962 -2.266 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.981 0.348 -6.707 1.00 0.00 N ATOM 1105 CA GLU A 75 -15.625 0.136 -8.106 1.00 0.00 C ATOM 1106 C GLU A 75 -14.143 -0.199 -8.245 1.00 0.00 C ATOM 1107 O GLU A 75 -13.522 0.101 -9.264 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.969 1.372 -8.941 1.00 0.00 C ATOM 1109 CG GLU A 75 -17.450 1.723 -8.964 1.00 0.00 C ATOM 1110 CD GLU A 75 -17.710 2.936 -9.813 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -16.767 3.513 -10.298 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -18.856 3.222 -10.070 1.00 0.00 O ATOM 0 H GLU A 75 -16.810 -0.161 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 75 -16.204 -0.709 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.412 2.225 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.631 1.210 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.020 0.878 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.798 1.906 -7.948 1.00 0.00 H new ATOM 1119 N ASN A 76 -13.584 -0.823 -7.214 1.00 0.00 N ATOM 1120 CA ASN A 76 -12.164 -1.156 -7.201 1.00 0.00 C ATOM 1121 C ASN A 76 -11.312 0.084 -7.452 1.00 0.00 C ATOM 1122 O ASN A 76 -10.386 0.061 -8.261 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.835 -2.234 -8.217 1.00 0.00 C ATOM 1124 CG ASN A 76 -12.573 -3.526 -7.989 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.430 -4.169 -6.943 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -13.297 -3.947 -8.994 1.00 0.00 N ATOM 0 H ASN A 76 -14.092 -1.108 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.931 -1.545 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.069 -1.864 -9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.763 -2.429 -8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.776 -4.845 -8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.382 -3.377 -9.835 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.633 1.166 -6.750 1.00 0.00 N ATOM 1134 CA LYS A 77 -11.004 2.457 -7.005 1.00 0.00 C ATOM 1135 C LYS A 77 -10.570 3.119 -5.701 1.00 0.00 C ATOM 1136 O LYS A 77 -9.669 3.957 -5.689 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.956 3.376 -7.773 1.00 0.00 C ATOM 1138 CG LYS A 77 -12.144 3.004 -9.238 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.189 3.888 -9.903 1.00 0.00 C ATOM 1140 CE LYS A 77 -13.424 3.476 -11.349 1.00 0.00 C ATOM 1141 NZ LYS A 77 -14.511 4.270 -11.984 1.00 0.00 N ATOM 0 H LYS A 77 -12.325 1.175 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.117 2.284 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.928 3.365 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.581 4.398 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.195 3.100 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.446 1.960 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.126 3.827 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.864 4.928 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.502 3.603 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.678 2.417 -11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.616 3.982 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.404 4.102 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.273 5.281 -11.940 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.217 2.735 -4.605 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.987 3.380 -3.318 1.00 0.00 C ATOM 1157 C ARG A 78 -11.198 2.396 -2.172 1.00 0.00 C ATOM 1158 O ARG A 78 -12.188 1.664 -2.144 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.832 4.634 -3.143 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.615 5.372 -1.832 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.428 6.607 -1.683 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.007 7.711 -2.528 1.00 0.00 N ATOM 1163 CZ ARG A 78 -12.827 8.669 -3.002 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.117 8.641 -2.750 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.305 9.625 -3.749 1.00 0.00 N ATOM 0 H ARG A 78 -11.904 1.981 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.946 3.703 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.620 5.316 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.884 4.360 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.845 4.698 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.560 5.633 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.468 6.371 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.391 6.928 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.020 7.765 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.511 7.886 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.724 9.374 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.306 9.624 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.901 10.364 -4.122 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.262 2.383 -1.230 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.345 1.487 -0.082 1.00 0.00 C ATOM 1181 C ILE A 79 -9.908 2.192 1.198 1.00 0.00 C ATOM 1182 O ILE A 79 -8.937 2.949 1.201 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.483 0.228 -0.284 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -10.043 -0.623 -1.429 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -9.414 -0.582 1.000 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -9.291 -1.915 -1.653 1.00 0.00 C ATOM 0 H ILE A 79 -9.437 2.983 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.389 1.188 0.009 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.472 0.539 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.088 -0.853 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.022 -0.037 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.801 -1.468 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.973 0.026 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.419 -0.885 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.746 -2.462 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.251 -1.694 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.333 -2.522 -0.749 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.629 1.935 2.285 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.217 2.402 3.602 1.00 0.00 C ATOM 1200 C GLU A 80 -10.006 1.228 4.555 1.00 0.00 C ATOM 1201 O GLU A 80 -10.833 0.320 4.631 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.253 3.370 4.178 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.878 3.964 5.527 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.972 4.847 6.060 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.033 4.343 6.339 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.713 6.005 6.293 1.00 0.00 O ATOM 0 H GLU A 80 -11.501 1.406 2.279 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.269 2.929 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.407 4.182 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.205 2.848 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.678 3.161 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.958 4.540 5.430 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.892 1.255 5.280 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.536 0.160 6.173 1.00 0.00 C ATOM 1215 C TYR A 81 -7.755 0.673 7.379 1.00 0.00 C ATOM 1216 O TYR A 81 -7.245 1.792 7.372 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.719 -0.897 5.425 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.450 -0.362 4.799 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.462 0.185 3.525 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.244 -0.407 5.483 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -5.307 0.676 2.947 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.083 0.082 4.917 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.119 0.622 3.647 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.965 1.109 3.076 1.00 0.00 O ATOM 0 H TYR A 81 -8.221 2.023 5.266 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.458 -0.297 6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.461 -1.699 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.340 -1.337 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.390 0.228 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.212 -0.832 6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.334 1.099 1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.153 0.042 5.464 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.056 1.106 2.100 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.666 -0.157 8.414 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.107 0.272 9.690 1.00 0.00 C ATOM 1236 C ALA A 82 -6.038 -0.702 10.175 1.00 0.00 C ATOM 1237 O ALA A 82 -6.102 -1.899 9.897 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.210 0.410 10.730 1.00 0.00 C ATOM 0 H ALA A 82 -7.974 -1.129 8.393 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.637 1.245 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.778 0.731 11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.937 1.149 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.706 -0.551 10.864 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.056 -0.180 10.904 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.046 -1.020 11.536 1.00 0.00 C ATOM 1246 C PHE A 83 -3.766 -0.553 12.961 1.00 0.00 C ATOM 1247 O PHE A 83 -3.264 0.548 13.180 1.00 0.00 O ATOM 1248 CB PHE A 83 -2.755 -1.016 10.716 1.00 0.00 C ATOM 1249 CG PHE A 83 -1.659 -1.857 11.306 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.782 -3.237 11.367 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -0.504 -1.271 11.802 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.774 -4.013 11.910 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.505 -2.042 12.343 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.369 -3.415 12.398 1.00 0.00 C ATOM 0 H PHE A 83 -4.939 0.819 11.071 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.431 -2.039 11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.974 -1.374 9.710 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.400 0.010 10.619 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.675 -3.711 10.986 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.393 -0.197 11.764 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.882 -5.087 11.952 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.400 -1.572 12.723 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.157 -4.020 12.823 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.098 -1.402 13.931 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.929 -1.037 15.325 1.00 0.00 C ATOM 1266 C GLY A 84 -4.833 0.108 15.739 1.00 0.00 C ATOM 1267 O GLY A 84 -6.056 0.004 15.655 1.00 0.00 O ATOM 0 H GLY A 84 -4.480 -2.335 13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.136 -1.904 15.952 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.890 -0.757 15.501 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.229 1.203 16.187 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.985 2.387 16.575 1.00 0.00 C ATOM 1273 C ASP A 85 -4.865 3.480 15.518 1.00 0.00 C ATOM 1274 O ASP A 85 -5.269 4.623 15.742 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.505 2.910 17.932 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.042 3.331 17.964 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.376 3.167 16.969 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.645 3.955 18.918 1.00 0.00 O ATOM 0 H ASP A 85 -3.218 1.295 16.290 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.034 2.104 16.659 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.122 3.762 18.218 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.664 2.136 18.683 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.307 3.124 14.367 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.158 4.067 13.264 1.00 0.00 C ATOM 1285 C ARG A 86 -4.912 3.582 12.029 1.00 0.00 C ATOM 1286 O ARG A 86 -5.315 2.422 11.949 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.698 4.359 12.950 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.959 5.147 14.019 1.00 0.00 C ATOM 1289 CD ARG A 86 -0.580 5.550 13.640 1.00 0.00 C ATOM 1290 NE ARG A 86 0.374 4.454 13.579 1.00 0.00 N ATOM 1291 CZ ARG A 86 0.853 3.920 12.439 1.00 0.00 C ATOM 1292 NH1 ARG A 86 0.444 4.350 11.266 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.729 2.935 12.532 1.00 0.00 N ATOM 0 H ARG A 86 -3.950 2.189 14.173 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.602 5.011 13.581 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.179 3.413 12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.647 4.911 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.534 6.042 14.256 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.913 4.548 14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.613 6.041 12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.221 6.288 14.357 1.00 0.00 H new ATOM 0 HE ARG A 86 0.703 4.062 14.461 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.246 5.099 11.210 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.817 3.935 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.024 2.600 13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.110 2.510 11.687 1.00 0.00 H new ATOM 1307 N THR A 87 -5.100 4.481 11.067 1.00 0.00 N ATOM 1308 CA THR A 87 -5.838 4.157 9.852 1.00 0.00 C ATOM 1309 C THR A 87 -5.061 4.573 8.610 1.00 0.00 C ATOM 1310 O THR A 87 -4.177 5.427 8.675 1.00 0.00 O ATOM 1311 CB THR A 87 -7.220 4.836 9.833 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.057 6.260 9.833 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.034 4.422 11.050 1.00 0.00 C ATOM 0 H THR A 87 -4.751 5.439 11.106 1.00 0.00 H new ATOM 0 HA THR A 87 -5.975 3.076 9.846 1.00 0.00 H new ATOM 0 HB THR A 87 -7.748 4.525 8.932 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.937 6.690 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.008 4.911 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.171 3.341 11.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.507 4.717 11.958 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.397 3.966 7.476 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.856 4.392 6.192 1.00 0.00 C ATOM 1323 C ALA A 88 -5.869 4.177 5.071 1.00 0.00 C ATOM 1324 O ALA A 88 -6.616 3.199 5.074 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.566 3.646 5.889 1.00 0.00 C ATOM 0 H ALA A 88 -6.042 3.177 7.421 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.640 5.459 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.173 3.974 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.834 3.853 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.765 2.575 5.853 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.889 5.100 4.114 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.898 5.087 3.062 1.00 0.00 C ATOM 1333 C LYS A 89 -6.262 5.322 1.695 1.00 0.00 C ATOM 1334 O LYS A 89 -5.509 6.277 1.506 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.971 6.141 3.334 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.164 6.085 2.389 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.271 7.026 2.837 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.468 6.960 1.900 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.592 7.814 2.372 1.00 0.00 N ATOM 0 H LYS A 89 -5.218 5.865 4.046 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.368 4.103 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.328 6.022 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.517 7.130 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.845 6.350 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.547 5.065 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.584 6.767 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.891 8.047 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.165 7.278 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.807 5.927 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.387 7.741 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.898 7.495 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.277 8.804 2.427 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.570 4.445 0.746 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.958 4.503 -0.577 1.00 0.00 C ATOM 1355 C VAL A 90 -7.006 4.735 -1.659 1.00 0.00 C ATOM 1356 O VAL A 90 -8.100 4.171 -1.608 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.180 3.213 -0.897 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -6.098 2.003 -0.812 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.544 3.301 -2.276 1.00 0.00 C ATOM 0 H VAL A 90 -7.240 3.685 0.868 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.262 5.342 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.387 3.098 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.532 1.100 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.509 1.928 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.912 2.113 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.999 2.381 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.322 3.440 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.855 4.145 -2.306 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.666 5.567 -2.637 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.519 5.765 -3.803 1.00 0.00 C ATOM 1371 C GLU A 91 -6.686 5.845 -5.079 1.00 0.00 C ATOM 1372 O GLU A 91 -5.536 6.284 -5.056 1.00 0.00 O ATOM 1373 CB GLU A 91 -8.364 7.030 -3.642 1.00 0.00 C ATOM 1374 CG GLU A 91 -7.561 8.324 -3.623 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.447 9.513 -3.380 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -9.617 9.322 -3.150 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -7.935 10.606 -3.311 1.00 0.00 O ATOM 0 H GLU A 91 -5.806 6.115 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.187 4.907 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.086 7.076 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.934 6.956 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.799 8.270 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.039 8.445 -4.572 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.274 5.418 -6.191 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.561 5.365 -7.462 1.00 0.00 C ATOM 1386 C PHE A 92 -7.221 6.274 -8.494 1.00 0.00 C ATOM 1387 O PHE A 92 -8.436 6.234 -8.688 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.518 3.928 -7.985 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.767 2.984 -7.090 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.378 2.435 -5.974 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.452 2.648 -7.362 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.690 1.567 -5.147 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.759 1.781 -6.538 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.378 1.241 -5.429 1.00 0.00 C ATOM 0 H PHE A 92 -8.243 5.103 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.542 5.715 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.538 3.564 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.057 3.923 -8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.403 2.688 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.962 3.068 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.178 1.144 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.734 1.526 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.838 0.565 -4.783 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.411 7.094 -9.155 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.918 8.040 -10.142 1.00 0.00 C ATOM 1406 C LEU A 93 -6.293 7.786 -11.511 1.00 0.00 C ATOM 1407 O LEU A 93 -5.072 7.734 -11.645 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.645 9.479 -9.688 1.00 0.00 C ATOM 1409 CG LEU A 93 -7.026 10.567 -10.701 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.535 10.584 -10.907 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -6.534 11.918 -10.206 1.00 0.00 C ATOM 0 H LEU A 93 -5.400 7.122 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.995 7.898 -10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.190 9.660 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.584 9.575 -9.457 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.554 10.352 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.795 11.359 -11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.862 9.615 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.030 10.790 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.805 12.690 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.994 12.142 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.450 11.891 -10.093 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.143 7.629 -12.523 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.673 7.396 -13.883 1.00 0.00 C ATOM 1425 C GLU A 94 -6.183 8.693 -14.520 1.00 0.00 C ATOM 1426 O GLU A 94 -6.954 9.632 -14.714 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.782 6.776 -14.735 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.357 6.411 -16.152 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.502 5.824 -16.930 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.568 5.697 -16.378 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.343 5.609 -18.109 1.00 0.00 O ATOM 0 H GLU A 94 -8.158 7.659 -12.426 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.836 6.699 -13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.148 5.879 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.617 7.475 -14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.985 7.299 -16.663 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.535 5.696 -16.115 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.894 8.738 -14.841 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.319 9.880 -15.541 1.00 0.00 C ATOM 1440 C ALA A 95 -4.113 9.570 -17.021 1.00 0.00 C ATOM 1441 O ALA A 95 -4.045 8.412 -17.433 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.004 10.288 -14.897 1.00 0.00 C ATOM 0 H ALA A 95 -4.228 7.996 -14.627 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.020 10.711 -15.465 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.587 11.142 -15.431 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.178 10.560 -13.856 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.303 9.455 -14.942 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.011 10.627 -17.840 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.744 10.494 -19.275 1.00 0.00 C ATOM 1450 C PRO A 96 -2.367 9.902 -19.555 1.00 0.00 C ATOM 1451 O PRO A 96 -2.162 9.242 -20.573 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.866 11.926 -19.806 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.588 12.787 -18.622 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.167 12.047 -17.445 1.00 0.00 C ATOM 0 HA PRO A 96 -4.437 9.806 -19.760 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.154 12.114 -20.609 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.860 12.116 -20.211 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.517 12.949 -18.496 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.048 13.769 -18.734 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.631 12.271 -16.523 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.212 12.308 -17.278 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.428 10.141 -18.645 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.046 9.725 -18.847 1.00 0.00 C ATOM 1464 C GLN A 97 0.274 8.480 -18.026 1.00 0.00 C ATOM 1465 O GLN A 97 1.297 7.830 -18.237 1.00 0.00 O ATOM 1466 CB GLN A 97 0.916 10.856 -18.472 1.00 0.00 C ATOM 1467 CG GLN A 97 0.763 12.109 -19.319 1.00 0.00 C ATOM 1468 CD GLN A 97 1.742 13.197 -18.923 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.643 12.975 -18.108 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.569 14.383 -19.493 1.00 0.00 N ATOM 0 H GLN A 97 -1.600 10.620 -17.761 1.00 0.00 H new ATOM 0 HA GLN A 97 0.080 9.487 -19.903 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.762 11.117 -17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.940 10.492 -18.562 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.911 11.855 -20.369 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.255 12.487 -19.223 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.811 14.522 -20.161 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.194 15.156 -19.263 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.608 8.155 -17.085 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.351 7.053 -16.177 1.00 0.00 C ATOM 1481 C GLY A 98 -1.460 6.870 -15.159 1.00 0.00 C ATOM 1482 O GLY A 98 -2.567 7.380 -15.337 1.00 0.00 O ATOM 0 H GLY A 98 -1.495 8.635 -16.936 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.233 6.134 -16.751 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.591 7.227 -15.657 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.165 6.137 -14.091 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.101 5.992 -12.981 1.00 0.00 C ATOM 1488 C VAL A 99 -1.536 6.601 -11.703 1.00 0.00 C ATOM 1489 O VAL A 99 -0.401 6.321 -11.316 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.450 4.515 -12.725 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.326 4.381 -11.488 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.146 3.914 -13.937 1.00 0.00 C ATOM 0 H VAL A 99 -0.286 5.634 -13.970 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.009 6.525 -13.263 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.523 3.967 -12.553 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.563 3.330 -11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.795 4.774 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.249 4.943 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.385 2.869 -13.738 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.065 4.465 -14.139 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.487 3.977 -14.803 1.00 0.00 H new ATOM 1502 N THR A 100 -2.337 7.437 -11.048 1.00 0.00 N ATOM 1503 CA THR A 100 -1.908 8.108 -9.828 1.00 0.00 C ATOM 1504 C THR A 100 -2.453 7.403 -8.592 1.00 0.00 C ATOM 1505 O THR A 100 -3.658 7.185 -8.469 1.00 0.00 O ATOM 1506 CB THR A 100 -2.356 9.581 -9.807 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.741 10.286 -10.892 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.963 10.239 -8.493 1.00 0.00 C ATOM 0 H THR A 100 -3.286 7.665 -11.343 1.00 0.00 H new ATOM 0 HA THR A 100 -0.819 8.069 -9.813 1.00 0.00 H new ATOM 0 HB THR A 100 -3.441 9.616 -9.910 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.776 10.353 -10.734 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.287 11.280 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.439 9.713 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.880 10.197 -8.375 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.558 7.048 -7.676 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.952 6.386 -6.437 1.00 0.00 C ATOM 1518 C VAL A 101 -1.806 7.322 -5.244 1.00 0.00 C ATOM 1519 O VAL A 101 -0.713 7.812 -4.954 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.113 5.119 -6.187 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.544 4.439 -4.896 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.226 4.165 -7.366 1.00 0.00 C ATOM 0 H VAL A 101 -0.555 7.208 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.999 6.104 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.068 5.410 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.940 3.546 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.406 5.125 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.595 4.159 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.627 3.275 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.269 3.878 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.864 4.657 -8.268 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.914 7.569 -4.553 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.925 8.500 -3.431 1.00 0.00 C ATOM 1534 C ARG A 102 -3.280 7.782 -2.132 1.00 0.00 C ATOM 1535 O ARG A 102 -4.323 7.134 -2.035 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.836 9.691 -3.679 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.326 10.682 -4.715 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.270 11.788 -5.021 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.710 12.846 -5.846 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.414 13.882 -6.342 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.707 13.987 -6.130 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.773 14.783 -7.067 1.00 0.00 N ATOM 0 H ARG A 102 -3.817 7.137 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.915 8.898 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.811 9.324 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.986 10.218 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.387 11.109 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.104 10.144 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.143 11.375 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.619 12.221 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.715 12.801 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.193 13.277 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.224 14.778 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.772 14.682 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.279 15.579 -7.456 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.408 7.902 -1.138 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.631 7.267 0.155 1.00 0.00 C ATOM 1558 C VAL A 103 -2.542 8.282 1.290 1.00 0.00 C ATOM 1559 O VAL A 103 -1.568 9.029 1.393 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.619 6.135 0.411 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.866 5.495 1.769 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.700 5.090 -0.692 1.00 0.00 C ATOM 0 H VAL A 103 -1.540 8.433 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.635 6.844 0.128 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.616 6.563 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.141 4.697 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.760 6.247 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.874 5.081 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.978 4.297 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.704 4.668 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.475 5.556 -1.652 1.00 0.00 H new ATOM 1572 N SER A 104 -3.563 8.304 2.140 1.00 0.00 N ATOM 1573 CA SER A 104 -3.530 9.108 3.356 1.00 0.00 C ATOM 1574 C SER A 104 -3.593 8.221 4.595 1.00 0.00 C ATOM 1575 O SER A 104 -4.450 7.344 4.702 1.00 0.00 O ATOM 1576 CB SER A 104 -4.673 10.103 3.356 1.00 0.00 C ATOM 1577 OG SER A 104 -4.536 11.064 2.345 1.00 0.00 O ATOM 0 H SER A 104 -4.424 7.774 2.009 1.00 0.00 H new ATOM 0 HA SER A 104 -2.588 9.656 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.616 9.572 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.720 10.601 4.325 1.00 0.00 H new ATOM 0 HG SER A 104 -5.294 11.685 2.379 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.678 8.455 5.530 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.522 7.578 6.684 1.00 0.00 C ATOM 1585 C PHE A 105 -2.168 8.380 7.934 1.00 0.00 C ATOM 1586 O PHE A 105 -1.671 9.503 7.844 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.440 6.530 6.414 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.065 7.114 6.267 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.351 7.644 5.056 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.814 7.131 7.339 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.617 8.182 4.917 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.080 7.668 7.205 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.483 8.194 5.992 1.00 0.00 C ATOM 0 H PHE A 105 -2.033 9.245 5.511 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.473 7.073 6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.434 5.807 7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.693 5.983 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.322 7.637 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.506 6.720 8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.928 8.593 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.755 7.677 8.048 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.473 8.613 5.886 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.430 7.797 9.100 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.074 8.424 10.366 1.00 0.00 C ATOM 1605 C VAL A 106 -0.625 8.129 10.738 1.00 0.00 C ATOM 1606 O VAL A 106 -0.169 6.991 10.639 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.994 7.956 11.508 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.561 8.575 12.829 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.442 8.309 11.205 1.00 0.00 C ATOM 0 H VAL A 106 -2.888 6.890 9.193 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.199 9.498 10.231 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.914 6.872 11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.222 8.233 13.625 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.538 8.275 13.053 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.612 9.661 12.756 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.078 7.971 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.538 9.389 11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.750 7.821 10.280 1.00 0.00 H new ATOM 1619 N ALA A 107 0.093 9.162 11.168 1.00 0.00 N ATOM 1620 CA ALA A 107 1.503 9.024 11.505 1.00 0.00 C ATOM 1621 C ALA A 107 1.682 8.313 12.842 1.00 0.00 C ATOM 1622 O ALA A 107 0.910 8.526 13.777 1.00 0.00 O ATOM 1623 CB ALA A 107 2.174 10.390 11.538 1.00 0.00 C ATOM 0 H ALA A 107 -0.280 10.103 11.291 1.00 0.00 H new ATOM 0 HA ALA A 107 1.977 8.416 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.228 10.272 11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.087 10.862 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.689 11.016 12.287 1.00 0.00 H new ATOM 1629 N GLU A 108 2.704 7.467 12.925 1.00 0.00 N ATOM 1630 CA GLU A 108 3.030 6.783 14.170 1.00 0.00 C ATOM 1631 C GLU A 108 3.688 7.741 15.160 1.00 0.00 C ATOM 1632 O GLU A 108 4.719 8.346 14.863 1.00 0.00 O ATOM 1633 CB GLU A 108 3.946 5.587 13.903 1.00 0.00 C ATOM 1634 CG GLU A 108 4.326 4.796 15.146 1.00 0.00 C ATOM 1635 CD GLU A 108 3.113 4.215 15.817 1.00 0.00 C ATOM 1636 OE1 GLU A 108 2.431 3.437 15.195 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.931 4.460 16.986 1.00 0.00 O ATOM 0 H GLU A 108 3.320 7.239 12.145 1.00 0.00 H new ATOM 0 HA GLU A 108 2.101 6.420 14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.453 4.918 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.857 5.943 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.012 3.994 14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.855 5.444 15.845 1.00 0.00 H new ATOM 1644 N THR A 109 3.086 7.875 16.337 1.00 0.00 N ATOM 1645 CA THR A 109 3.543 8.845 17.324 1.00 0.00 C ATOM 1646 C THR A 109 4.941 8.503 17.826 1.00 0.00 C ATOM 1647 O THR A 109 5.666 9.370 18.313 1.00 0.00 O ATOM 1648 CB THR A 109 2.582 8.926 18.525 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.508 7.647 19.167 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.193 9.341 18.067 1.00 0.00 C ATOM 0 H THR A 109 2.280 7.323 16.630 1.00 0.00 H new ATOM 0 HA THR A 109 3.567 9.814 16.825 1.00 0.00 H new ATOM 0 HB THR A 109 2.960 9.670 19.226 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.898 7.700 19.932 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.527 9.393 18.928 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.245 10.319 17.588 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.810 8.609 17.356 1.00 0.00 H new ATOM 1658 N GLU A 110 5.314 7.232 17.703 1.00 0.00 N ATOM 1659 CA GLU A 110 6.626 6.776 18.149 1.00 0.00 C ATOM 1660 C GLU A 110 7.723 7.278 17.215 1.00 0.00 C ATOM 1661 O GLU A 110 8.906 7.243 17.554 1.00 0.00 O ATOM 1662 CB GLU A 110 6.663 5.248 18.234 1.00 0.00 C ATOM 1663 CG GLU A 110 5.791 4.658 19.334 1.00 0.00 C ATOM 1664 CD GLU A 110 5.824 3.156 19.310 1.00 0.00 C ATOM 1665 OE1 GLU A 110 6.481 2.608 18.458 1.00 0.00 O ATOM 1666 OE2 GLU A 110 5.284 2.555 20.210 1.00 0.00 O ATOM 0 H GLU A 110 4.728 6.502 17.299 1.00 0.00 H new ATOM 0 HA GLU A 110 6.806 7.187 19.142 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.347 4.835 17.276 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.693 4.930 18.394 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.134 5.016 20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.764 5.003 19.212 1.00 0.00 H new ATOM 1673 N TYR A 111 7.322 7.744 16.037 1.00 0.00 N ATOM 1674 CA TYR A 111 8.269 8.247 15.051 1.00 0.00 C ATOM 1675 C TYR A 111 7.894 9.655 14.602 1.00 0.00 C ATOM 1676 O TYR A 111 6.727 10.048 14.620 1.00 0.00 O ATOM 1677 CB TYR A 111 8.336 7.308 13.843 1.00 0.00 C ATOM 1678 CG TYR A 111 8.887 5.937 14.163 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.047 4.905 14.555 1.00 0.00 C ATOM 1680 CD2 TYR A 111 10.246 5.676 14.069 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.545 3.651 14.848 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.756 4.426 14.359 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.901 3.415 14.749 1.00 0.00 C ATOM 1684 OH TYR A 111 10.403 2.166 15.037 1.00 0.00 O ATOM 0 H TYR A 111 6.346 7.783 15.742 1.00 0.00 H new ATOM 0 HA TYR A 111 9.252 8.287 15.520 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.336 7.198 13.425 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.955 7.767 13.072 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.985 5.086 14.632 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.917 6.465 13.763 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.877 2.859 15.153 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.817 4.241 14.281 1.00 0.00 H new ATOM 0 HH TYR A 111 11.376 2.169 14.917 1.00 0.00 H new ATOM 1694 N PRO A 112 8.905 10.433 14.190 1.00 0.00 N ATOM 1695 CA PRO A 112 8.701 11.794 13.684 1.00 0.00 C ATOM 1696 C PRO A 112 7.934 11.814 12.365 1.00 0.00 C ATOM 1697 O PRO A 112 8.035 10.886 11.563 1.00 0.00 O ATOM 1698 CB PRO A 112 10.121 12.345 13.522 1.00 0.00 C ATOM 1699 CG PRO A 112 10.971 11.133 13.343 1.00 0.00 C ATOM 1700 CD PRO A 112 10.343 10.074 14.208 1.00 0.00 C ATOM 0 HA PRO A 112 8.092 12.394 14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.193 13.011 12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.427 12.919 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.998 10.822 12.299 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.000 11.327 13.644 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.514 9.074 13.809 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.749 10.087 15.220 1.00 0.00 H new ATOM 1708 N VAL A 113 7.168 12.878 12.148 1.00 0.00 N ATOM 1709 CA VAL A 113 6.336 12.991 10.956 1.00 0.00 C ATOM 1710 C VAL A 113 7.166 12.816 9.689 1.00 0.00 C ATOM 1711 O VAL A 113 6.735 12.165 8.739 1.00 0.00 O ATOM 1712 CB VAL A 113 5.609 14.348 10.901 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.928 14.532 9.553 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.594 14.455 12.028 1.00 0.00 C ATOM 0 H VAL A 113 7.106 13.674 12.782 1.00 0.00 H new ATOM 0 HA VAL A 113 5.593 12.195 11.013 1.00 0.00 H new ATOM 0 HB VAL A 113 6.348 15.140 11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.419 15.496 9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.675 14.498 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.201 13.734 9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.090 15.420 11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.859 13.656 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.104 14.366 12.987 1.00 0.00 H new ATOM 1724 N GLU A 114 8.359 13.402 9.684 1.00 0.00 N ATOM 1725 CA GLU A 114 9.224 13.361 8.512 1.00 0.00 C ATOM 1726 C GLU A 114 9.590 11.923 8.156 1.00 0.00 C ATOM 1727 O GLU A 114 9.608 11.548 6.983 1.00 0.00 O ATOM 1728 CB GLU A 114 10.492 14.184 8.751 1.00 0.00 C ATOM 1729 CG GLU A 114 10.264 15.688 8.800 1.00 0.00 C ATOM 1730 CD GLU A 114 11.525 16.421 9.166 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.506 15.773 9.443 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.542 17.625 9.061 1.00 0.00 O ATOM 0 H GLU A 114 8.748 13.910 10.478 1.00 0.00 H new ATOM 0 HA GLU A 114 8.677 13.795 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.945 13.866 9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.209 13.963 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.907 16.036 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.484 15.916 9.527 1.00 0.00 H new ATOM 1739 N GLN A 115 9.882 11.123 9.175 1.00 0.00 N ATOM 1740 CA GLN A 115 10.283 9.736 8.968 1.00 0.00 C ATOM 1741 C GLN A 115 9.138 8.919 8.382 1.00 0.00 C ATOM 1742 O GLN A 115 9.343 8.093 7.493 1.00 0.00 O ATOM 1743 CB GLN A 115 10.748 9.108 10.284 1.00 0.00 C ATOM 1744 CG GLN A 115 11.233 7.674 10.153 1.00 0.00 C ATOM 1745 CD GLN A 115 12.460 7.557 9.267 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.412 8.329 9.396 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.440 6.589 8.357 1.00 0.00 N ATOM 0 H GLN A 115 9.849 11.411 10.153 1.00 0.00 H new ATOM 0 HA GLN A 115 11.112 9.731 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.552 9.715 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.925 9.138 10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.464 7.280 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.432 7.058 9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.630 5.973 8.286 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.234 6.462 7.730 1.00 0.00 H new ATOM 1756 N GLN A 116 7.930 9.154 8.888 1.00 0.00 N ATOM 1757 CA GLN A 116 6.751 8.439 8.412 1.00 0.00 C ATOM 1758 C GLN A 116 6.400 8.856 6.988 1.00 0.00 C ATOM 1759 O GLN A 116 6.060 8.018 6.154 1.00 0.00 O ATOM 1760 CB GLN A 116 5.558 8.696 9.338 1.00 0.00 C ATOM 1761 CG GLN A 116 5.644 7.986 10.677 1.00 0.00 C ATOM 1762 CD GLN A 116 5.630 6.476 10.533 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.759 5.910 9.866 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.593 5.813 11.164 1.00 0.00 N ATOM 0 H GLN A 116 7.743 9.833 9.626 1.00 0.00 H new ATOM 0 HA GLN A 116 6.981 7.373 8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.473 9.768 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.645 8.382 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.557 8.291 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.808 8.296 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.293 6.322 11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.633 4.795 11.108 1.00 0.00 H new ATOM 1773 N GLN A 117 6.484 10.155 6.718 1.00 0.00 N ATOM 1774 CA GLN A 117 6.173 10.681 5.396 1.00 0.00 C ATOM 1775 C GLN A 117 7.124 10.114 4.346 1.00 0.00 C ATOM 1776 O GLN A 117 6.689 9.597 3.317 1.00 0.00 O ATOM 1777 CB GLN A 117 6.251 12.211 5.394 1.00 0.00 C ATOM 1778 CG GLN A 117 5.944 12.849 4.050 1.00 0.00 C ATOM 1779 CD GLN A 117 6.040 14.362 4.092 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.405 14.946 5.116 1.00 0.00 O ATOM 1781 NE2 GLN A 117 5.708 15.006 2.979 1.00 0.00 N ATOM 0 H GLN A 117 6.765 10.862 7.398 1.00 0.00 H new ATOM 0 HA GLN A 117 5.157 10.377 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.554 12.600 6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.250 12.513 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.637 12.464 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 117 4.942 12.560 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.412 14.482 2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.749 16.025 2.948 1.00 0.00 H new ATOM 1790 N GLN A 118 8.421 10.217 4.614 1.00 0.00 N ATOM 1791 CA GLN A 118 9.433 9.789 3.656 1.00 0.00 C ATOM 1792 C GLN A 118 9.444 8.270 3.515 1.00 0.00 C ATOM 1793 O GLN A 118 9.565 7.740 2.411 1.00 0.00 O ATOM 1794 CB GLN A 118 10.819 10.281 4.083 1.00 0.00 C ATOM 1795 CG GLN A 118 11.016 11.780 3.950 1.00 0.00 C ATOM 1796 CD GLN A 118 12.356 12.240 4.493 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.118 11.446 5.054 1.00 0.00 O ATOM 1798 NE2 GLN A 118 12.651 13.523 4.332 1.00 0.00 N ATOM 0 H GLN A 118 8.796 10.593 5.485 1.00 0.00 H new ATOM 0 HA GLN A 118 9.183 10.226 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 118 10.990 9.994 5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.573 9.772 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 118 10.937 12.062 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.216 12.297 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.991 14.143 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.538 13.890 4.678 1.00 0.00 H new ATOM 1807 N GLY A 119 9.315 7.576 4.640 1.00 0.00 N ATOM 1808 CA GLY A 119 9.343 6.124 4.625 1.00 0.00 C ATOM 1809 C GLY A 119 8.168 5.530 3.874 1.00 0.00 C ATOM 1810 O GLY A 119 8.340 4.625 3.056 1.00 0.00 O ATOM 0 H GLY A 119 9.191 7.992 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.272 5.786 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.341 5.753 5.650 1.00 0.00 H new ATOM 1814 N TRP A 120 6.973 6.036 4.154 1.00 0.00 N ATOM 1815 CA TRP A 120 5.764 5.552 3.495 1.00 0.00 C ATOM 1816 C TRP A 120 5.764 5.929 2.017 1.00 0.00 C ATOM 1817 O TRP A 120 5.293 5.166 1.173 1.00 0.00 O ATOM 1818 CB TRP A 120 4.522 6.123 4.179 1.00 0.00 C ATOM 1819 CG TRP A 120 3.290 5.302 3.952 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.322 5.519 3.012 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.891 4.134 4.678 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.346 4.554 3.111 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.672 3.694 4.126 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.446 3.418 5.743 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.002 2.571 4.602 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 2.778 2.303 6.215 1.00 0.00 C ATOM 1827 CH2 TRP A 120 1.568 1.888 5.644 1.00 0.00 C ATOM 0 H TRP A 120 6.814 6.781 4.832 1.00 0.00 H new ATOM 0 HA TRP A 120 5.746 4.465 3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.708 6.198 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.348 7.135 3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 120 2.323 6.328 2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.515 4.490 2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.379 3.730 6.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.068 2.250 4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 3.196 1.743 7.038 1.00 0.00 H new ATOM 0 HH2 TRP A 120 1.072 1.011 6.034 1.00 0.00 H new ATOM 1838 N GLN A 121 6.296 7.109 1.710 1.00 0.00 N ATOM 1839 CA GLN A 121 6.500 7.516 0.326 1.00 0.00 C ATOM 1840 C GLN A 121 7.468 6.574 -0.382 1.00 0.00 C ATOM 1841 O GLN A 121 7.270 6.226 -1.546 1.00 0.00 O ATOM 1842 CB GLN A 121 7.032 8.951 0.261 1.00 0.00 C ATOM 1843 CG GLN A 121 7.272 9.463 -1.149 1.00 0.00 C ATOM 1844 CD GLN A 121 5.979 9.709 -1.903 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.053 10.342 -1.386 1.00 0.00 O ATOM 1846 NE2 GLN A 121 5.905 9.208 -3.130 1.00 0.00 N ATOM 0 H GLN A 121 6.593 7.798 2.401 1.00 0.00 H new ATOM 0 HA GLN A 121 5.536 7.471 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.323 9.612 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.967 9.006 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.845 10.389 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.877 8.741 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.694 8.691 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.059 9.340 -3.684 1.00 0.00 H new ATOM 1855 N ALA A 122 8.513 6.163 0.328 1.00 0.00 N ATOM 1856 CA ALA A 122 9.523 5.280 -0.241 1.00 0.00 C ATOM 1857 C ALA A 122 8.914 3.947 -0.661 1.00 0.00 C ATOM 1858 O ALA A 122 9.365 3.323 -1.621 1.00 0.00 O ATOM 1859 CB ALA A 122 10.650 5.056 0.757 1.00 0.00 C ATOM 0 H ALA A 122 8.682 6.427 1.298 1.00 0.00 H new ATOM 0 HA ALA A 122 9.930 5.760 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.398 4.395 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.112 6.012 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.249 4.601 1.663 1.00 0.00 H new ATOM 1865 N ILE A 123 7.885 3.518 0.063 1.00 0.00 N ATOM 1866 CA ILE A 123 7.178 2.288 -0.271 1.00 0.00 C ATOM 1867 C ILE A 123 6.510 2.392 -1.638 1.00 0.00 C ATOM 1868 O ILE A 123 6.615 1.484 -2.463 1.00 0.00 O ATOM 1869 CB ILE A 123 6.114 1.943 0.788 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.781 1.594 2.120 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.241 0.794 0.309 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.820 1.526 3.285 1.00 0.00 C ATOM 0 H ILE A 123 7.523 4.004 0.884 1.00 0.00 H new ATOM 0 HA ILE A 123 7.922 1.492 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 123 5.479 2.816 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.286 0.633 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.548 2.337 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.495 0.563 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.741 1.079 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.861 -0.084 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.367 1.274 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.332 2.493 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.067 0.762 3.091 1.00 0.00 H new ATOM 1884 N LEU A 124 5.821 3.504 -1.871 1.00 0.00 N ATOM 1885 CA LEU A 124 5.172 3.748 -3.154 1.00 0.00 C ATOM 1886 C LEU A 124 6.204 4.053 -4.236 1.00 0.00 C ATOM 1887 O LEU A 124 5.992 3.758 -5.411 1.00 0.00 O ATOM 1888 CB LEU A 124 4.167 4.899 -3.031 1.00 0.00 C ATOM 1889 CG LEU A 124 2.937 4.602 -2.164 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.065 5.845 -2.051 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.154 3.447 -2.769 1.00 0.00 C ATOM 0 H LEU A 124 5.698 4.251 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 124 4.635 2.845 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.682 5.767 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.829 5.174 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 124 3.259 4.319 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.194 5.624 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.639 6.651 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.737 6.151 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.280 3.237 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.832 3.714 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.788 2.561 -2.814 1.00 0.00 H new ATOM 1903 N ASN A 125 7.321 4.647 -3.830 1.00 0.00 N ATOM 1904 CA ASN A 125 8.429 4.898 -4.744 1.00 0.00 C ATOM 1905 C ASN A 125 9.048 3.589 -5.221 1.00 0.00 C ATOM 1906 O ASN A 125 9.444 3.463 -6.380 1.00 0.00 O ATOM 1907 CB ASN A 125 9.487 5.781 -4.107 1.00 0.00 C ATOM 1908 CG ASN A 125 9.044 7.202 -3.898 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.027 7.644 -4.444 1.00 0.00 O ATOM 1910 ND2 ASN A 125 9.847 7.943 -3.177 1.00 0.00 N ATOM 0 H ASN A 125 7.483 4.964 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 125 8.025 5.427 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.773 5.354 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.378 5.776 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 125 9.645 8.934 -3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 125 10.674 7.529 -2.747 1.00 0.00 H new ATOM 1917 N ASN A 126 9.127 2.616 -4.321 1.00 0.00 N ATOM 1918 CA ASN A 126 9.585 1.277 -4.679 1.00 0.00 C ATOM 1919 C ASN A 126 8.540 0.552 -5.520 1.00 0.00 C ATOM 1920 O ASN A 126 8.875 -0.276 -6.368 1.00 0.00 O ATOM 1921 CB ASN A 126 9.933 0.460 -3.449 1.00 0.00 C ATOM 1922 CG ASN A 126 11.211 0.886 -2.780 1.00 0.00 C ATOM 1923 OD1 ASN A 126 12.059 1.552 -3.383 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.388 0.435 -1.564 1.00 0.00 N ATOM 0 H ASN A 126 8.880 2.728 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 126 10.492 1.391 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.116 0.534 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.014 -0.589 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.259 0.629 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.655 -0.111 -1.111 1.00 0.00 H new ATOM 1931 N PHE A 127 7.272 0.868 -5.280 1.00 0.00 N ATOM 1932 CA PHE A 127 6.192 0.409 -6.146 1.00 0.00 C ATOM 1933 C PHE A 127 6.377 0.930 -7.568 1.00 0.00 C ATOM 1934 O PHE A 127 6.151 0.208 -8.540 1.00 0.00 O ATOM 1935 CB PHE A 127 4.837 0.853 -5.591 1.00 0.00 C ATOM 1936 CG PHE A 127 3.670 0.446 -6.446 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.848 -0.398 -7.532 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.393 0.908 -6.167 1.00 0.00 C ATOM 1939 CE1 PHE A 127 2.776 -0.772 -8.320 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.319 0.535 -6.952 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.512 -0.307 -8.029 1.00 0.00 C ATOM 0 H PHE A 127 6.967 1.440 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 127 6.219 -0.680 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.708 0.434 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.836 1.938 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.836 -0.767 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 127 2.236 1.567 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.929 -1.429 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.329 0.902 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.673 -0.601 -8.643 1.00 0.00 H new ATOM 1951 N LYS A 128 6.791 2.187 -7.682 1.00 0.00 N ATOM 1952 CA LYS A 128 7.162 2.757 -8.972 1.00 0.00 C ATOM 1953 C LYS A 128 8.321 1.985 -9.595 1.00 0.00 C ATOM 1954 O LYS A 128 8.340 1.742 -10.802 1.00 0.00 O ATOM 1955 CB LYS A 128 7.530 4.233 -8.821 1.00 0.00 C ATOM 1956 CG LYS A 128 7.883 4.931 -10.128 1.00 0.00 C ATOM 1957 CD LYS A 128 8.227 6.395 -9.899 1.00 0.00 C ATOM 1958 CE LYS A 128 8.628 7.080 -11.197 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.030 8.495 -10.978 1.00 0.00 N ATOM 0 H LYS A 128 6.878 2.831 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 128 6.301 2.678 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.694 4.757 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.376 4.316 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.728 4.426 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 128 7.044 4.857 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.369 6.908 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 128 9.042 6.471 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.454 6.535 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.795 7.044 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.296 8.925 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.234 9.022 -10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.842 8.529 -10.329 1.00 0.00 H new ATOM 1973 N ARG A 129 9.286 1.603 -8.765 1.00 0.00 N ATOM 1974 CA ARG A 129 10.405 0.787 -9.217 1.00 0.00 C ATOM 1975 C ARG A 129 9.911 -0.519 -9.834 1.00 0.00 C ATOM 1976 O ARG A 129 10.426 -0.967 -10.859 1.00 0.00 O ATOM 1977 CB ARG A 129 11.418 0.536 -8.111 1.00 0.00 C ATOM 1978 CG ARG A 129 12.645 -0.255 -8.536 1.00 0.00 C ATOM 1979 CD ARG A 129 13.581 -0.575 -7.427 1.00 0.00 C ATOM 1980 NE ARG A 129 13.109 -1.608 -6.519 1.00 0.00 N ATOM 1981 CZ ARG A 129 13.178 -2.931 -6.762 1.00 0.00 C ATOM 1982 NH1 ARG A 129 13.664 -3.387 -7.896 1.00 0.00 N ATOM 1983 NH2 ARG A 129 12.723 -3.761 -5.839 1.00 0.00 N ATOM 0 H ARG A 129 9.315 1.846 -7.775 1.00 0.00 H new ATOM 0 HA ARG A 129 10.925 1.350 -9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.743 1.496 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 129 10.923 0.003 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 129 12.320 -1.186 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 129 13.182 0.311 -9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 129 14.534 -0.890 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.772 0.334 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 129 12.696 -1.310 -5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 129 13.996 -2.736 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.709 -4.392 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 129 12.333 -3.394 -4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 129 12.762 -4.768 -5.995 1.00 0.00 H new ATOM 1997 N HIS A 130 8.907 -1.123 -9.205 1.00 0.00 N ATOM 1998 CA HIS A 130 8.304 -2.345 -9.725 1.00 0.00 C ATOM 1999 C HIS A 130 7.680 -2.101 -11.095 1.00 0.00 C ATOM 2000 O HIS A 130 7.812 -2.920 -12.003 1.00 0.00 O ATOM 2001 CB HIS A 130 7.249 -2.885 -8.754 1.00 0.00 C ATOM 2002 CG HIS A 130 6.496 -4.067 -9.281 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.096 -5.286 -9.515 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.194 -4.216 -9.621 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.194 -6.136 -9.975 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.033 -5.511 -10.049 1.00 0.00 N ATOM 0 H HIS A 130 8.494 -0.786 -8.335 1.00 0.00 H new ATOM 0 HA HIS A 130 9.093 -3.089 -9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.736 -3.163 -7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.542 -2.089 -8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.426 -3.459 -9.566 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.376 -7.166 -10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.158 -5.924 -10.372 1.00 0.00 H new ATOM 2013 N VAL A 131 6.998 -0.968 -11.237 1.00 0.00 N ATOM 2014 CA VAL A 131 6.420 -0.580 -12.517 1.00 0.00 C ATOM 2015 C VAL A 131 7.506 -0.321 -13.556 1.00 0.00 C ATOM 2016 O VAL A 131 7.354 -0.671 -14.726 1.00 0.00 O ATOM 2017 CB VAL A 131 5.543 0.680 -12.382 1.00 0.00 C ATOM 2018 CG1 VAL A 131 5.124 1.188 -13.754 1.00 0.00 C ATOM 2019 CG2 VAL A 131 4.319 0.387 -11.528 1.00 0.00 C ATOM 0 H VAL A 131 6.833 -0.304 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 131 5.797 -1.412 -12.846 1.00 0.00 H new ATOM 0 HB VAL A 131 6.130 1.457 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 131 4.505 2.078 -13.639 1.00 0.00 H new ATOM 0 HG12 VAL A 131 6.011 1.435 -14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 131 4.555 0.415 -14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.711 1.287 -11.443 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.732 -0.405 -11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 131 4.636 0.068 -10.535 1.00 0.00 H new ATOM 2029 N GLU A 132 8.602 0.290 -13.119 1.00 0.00 N ATOM 2030 CA GLU A 132 9.740 0.537 -13.997 1.00 0.00 C ATOM 2031 C GLU A 132 10.341 -0.775 -14.492 1.00 0.00 C ATOM 2032 O GLU A 132 10.897 -0.841 -15.588 1.00 0.00 O ATOM 2033 CB GLU A 132 10.804 1.367 -13.274 1.00 0.00 C ATOM 2034 CG GLU A 132 10.437 2.831 -13.082 1.00 0.00 C ATOM 2035 CD GLU A 132 11.450 3.540 -12.226 1.00 0.00 C ATOM 2036 OE1 GLU A 132 12.352 2.895 -11.749 1.00 0.00 O ATOM 2037 OE2 GLU A 132 11.387 4.744 -12.143 1.00 0.00 O ATOM 0 H GLU A 132 8.726 0.623 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 132 9.384 1.098 -14.861 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.993 0.921 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.736 1.310 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.371 3.322 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.452 2.904 -12.620 1.00 0.00 H new ATOM 2044 N SER A 133 10.223 -1.818 -13.677 1.00 0.00 N ATOM 2045 CA SER A 133 10.682 -3.147 -14.064 1.00 0.00 C ATOM 2046 C SER A 133 9.820 -3.711 -15.190 1.00 0.00 C ATOM 2047 O SER A 133 10.192 -4.687 -15.843 1.00 0.00 O ATOM 2048 CB SER A 133 10.666 -4.076 -12.866 1.00 0.00 C ATOM 2049 OG SER A 133 11.544 -3.653 -11.860 1.00 0.00 O ATOM 0 H SER A 133 9.813 -1.769 -12.744 1.00 0.00 H new ATOM 0 HA SER A 133 11.706 -3.065 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.654 -4.131 -12.464 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.938 -5.082 -13.184 1.00 0.00 H new ATOM 0 HG SER A 133 11.239 -2.794 -11.500 1.00 0.00 H new ATOM 2055 N HIS A 134 8.666 -3.091 -15.412 1.00 0.00 N ATOM 2056 CA HIS A 134 7.768 -3.506 -16.485 1.00 0.00 C ATOM 2057 C HIS A 134 8.083 -2.753 -17.775 1.00 0.00 C ATOM 2058 O HIS A 134 7.331 -2.828 -18.748 1.00 0.00 O ATOM 2059 CB HIS A 134 6.306 -3.281 -16.087 1.00 0.00 C ATOM 2060 CG HIS A 134 5.881 -4.072 -14.889 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.699 -3.831 -14.220 1.00 0.00 N ATOM 2062 CD2 HIS A 134 6.479 -5.097 -14.238 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.589 -4.676 -13.210 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.656 -5.454 -13.199 1.00 0.00 N ATOM 0 H HIS A 134 8.330 -2.299 -14.864 1.00 0.00 H new ATOM 0 HA HIS A 134 7.921 -4.571 -16.658 1.00 0.00 H new ATOM 0 HB2 HIS A 134 6.153 -2.221 -15.885 1.00 0.00 H new ATOM 0 HB3 HIS A 134 5.665 -3.541 -16.929 1.00 0.00 H new ATOM 0 HD1 HIS A 134 4.017 -3.113 -14.466 1.00 0.00 H new ATOM 0 HD2 HIS A 134 7.427 -5.550 -14.489 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.766 -4.722 -12.512 1.00 0.00 H new