USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 4 ASN : amide:sc= -0.319 K(o=-1.5,f=-8.7!) USER MOD Set 1.2: A 119 GLN : amide:sc= -1.19 X(o=-1.5,f=-2) USER MOD Set 2.1: A 104 THR OG1 : rot 124:sc= 0.753 USER MOD Set 2.2: A 105 ASN : amide:sc= -1.44 K(o=-1.1,f=-5.4!) USER MOD Set 2.3: A 110 GLN : amide:sc= -0.418 K(o=-1.1,f=-2.7) USER MOD Set 3.1: A 71 ASN : amide:sc= 0.168 K(o=1.6,f=-3.7) USER MOD Set 3.2: A 74 THR OG1 : rot -114:sc= 1.43 USER MOD Set 4.1: A 11 HIS : no HE2:sc= 1.02 K(o=0.44,f=-13!) USER MOD Set 4.2: A 88 ASN : amide:sc= -0.571 K(o=0.44,f=-10!) USER MOD Single : A 1 GLU N :NH3+ -122:sc= 0.74 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -148:sc= -4.08! USER MOD Single : A 10 TYR OH : rot 110:sc=-0.00331 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.6) USER MOD Single : A 18 ASN : amide:sc= -3.07 X(o=-3.1,f=-2.8!) USER MOD Single : A 19 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.4!) USER MOD Single : A 28 SER OG : rot -94:sc= 1.03 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0978 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.196 USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 0.589 (180deg=0.368) USER MOD Single : A 46 TYR OH : rot -97:sc= 0.223 USER MOD Single : A 49 THR OG1 : rot 40:sc= 0.35 USER MOD Single : A 60 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= 1.23 (180deg=0.191) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -117:sc= -1.97! (180deg=-5.26!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0162 K(o=-0.016,f=-2.2!) USER MOD Single : A 113 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-5.4!) USER MOD Single : A 115 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.8!) USER MOD Single : A 117 ASN : amide:sc= -7.87! C(o=-7.9!,f=-9.3!) USER MOD Single : A 118 TYR OH : rot -12:sc= 0.495 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.650 13.514 -0.440 1.00 0.00 N ATOM 2 CA GLU A 1 2.874 14.361 -0.268 1.00 0.00 C ATOM 3 C GLU A 1 3.982 13.688 -1.108 1.00 0.00 C ATOM 4 O GLU A 1 3.654 12.917 -2.001 1.00 0.00 O ATOM 5 CB GLU A 1 3.242 14.394 1.253 1.00 0.00 C ATOM 6 CG GLU A 1 4.119 15.630 1.635 1.00 0.00 C ATOM 7 CD GLU A 1 3.304 16.925 1.648 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.762 17.219 0.597 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.285 17.526 2.706 1.00 0.00 O ATOM 0 H1 GLU A 1 0.878 14.094 -0.827 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.858 12.732 -1.094 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.363 13.127 0.482 1.00 0.00 H new ATOM 0 HA GLU A 1 2.732 15.390 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.326 14.407 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.776 13.480 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.563 15.470 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.941 15.725 0.925 1.00 0.00 H new ATOM 18 N GLN A 2 5.221 13.990 -0.824 1.00 0.00 N ATOM 19 CA GLN A 2 6.357 13.378 -1.577 1.00 0.00 C ATOM 20 C GLN A 2 7.347 12.817 -0.531 1.00 0.00 C ATOM 21 O GLN A 2 7.731 13.513 0.391 1.00 0.00 O ATOM 22 CB GLN A 2 7.089 14.454 -2.460 1.00 0.00 C ATOM 23 CG GLN A 2 6.092 15.259 -3.359 1.00 0.00 C ATOM 24 CD GLN A 2 6.861 16.014 -4.452 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.792 16.754 -4.231 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.503 15.852 -5.680 1.00 0.00 N ATOM 0 H GLN A 2 5.499 14.644 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 2 5.987 12.596 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.631 15.144 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.828 13.961 -3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.370 14.580 -3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.527 15.963 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.722 15.236 -5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.000 16.340 -6.425 1.00 0.00 H new ATOM 35 N ALA A 3 7.709 11.572 -0.720 1.00 0.00 N ATOM 36 CA ALA A 3 8.665 10.877 0.190 1.00 0.00 C ATOM 37 C ALA A 3 9.771 10.228 -0.699 1.00 0.00 C ATOM 38 O ALA A 3 9.467 9.508 -1.638 1.00 0.00 O ATOM 39 CB ALA A 3 7.846 9.854 0.954 1.00 0.00 C ATOM 0 H ALA A 3 7.370 10.995 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 3 9.162 11.535 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.494 9.309 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.064 10.362 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.391 9.155 0.252 1.00 0.00 H new ATOM 45 N ASN A 4 11.014 10.485 -0.380 1.00 0.00 N ATOM 46 CA ASN A 4 12.143 9.910 -1.191 1.00 0.00 C ATOM 47 C ASN A 4 13.064 8.918 -0.441 1.00 0.00 C ATOM 48 O ASN A 4 13.138 8.955 0.772 1.00 0.00 O ATOM 49 CB ASN A 4 12.902 11.140 -1.732 1.00 0.00 C ATOM 50 CG ASN A 4 12.004 11.958 -2.693 1.00 0.00 C ATOM 51 OD1 ASN A 4 10.795 11.999 -2.644 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.521 12.679 -3.629 1.00 0.00 N ATOM 0 H ASN A 4 11.301 11.068 0.406 1.00 0.00 H new ATOM 0 HA ASN A 4 11.747 9.276 -1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.223 11.769 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.803 10.817 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.917 13.219 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.533 12.709 -3.749 1.00 0.00 H new ATOM 59 N ASP A 5 13.720 8.094 -1.230 1.00 0.00 N ATOM 60 CA ASP A 5 14.665 7.018 -0.778 1.00 0.00 C ATOM 61 C ASP A 5 14.221 6.520 0.606 1.00 0.00 C ATOM 62 O ASP A 5 14.845 6.686 1.644 1.00 0.00 O ATOM 63 CB ASP A 5 16.079 7.668 -0.853 1.00 0.00 C ATOM 64 CG ASP A 5 16.326 7.885 -2.349 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.637 6.902 -3.011 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.170 9.012 -2.779 1.00 0.00 O ATOM 0 H ASP A 5 13.627 8.132 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 5 14.677 6.117 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.112 8.610 -0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.838 7.018 -0.416 1.00 0.00 H new ATOM 71 N VAL A 6 13.074 5.900 0.495 1.00 0.00 N ATOM 72 CA VAL A 6 12.390 5.318 1.673 1.00 0.00 C ATOM 73 C VAL A 6 12.531 3.795 1.657 1.00 0.00 C ATOM 74 O VAL A 6 12.322 3.146 0.645 1.00 0.00 O ATOM 75 CB VAL A 6 10.882 5.708 1.630 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.199 5.334 2.960 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.690 7.222 1.404 1.00 0.00 C ATOM 0 H VAL A 6 12.577 5.774 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 6 12.843 5.704 2.586 1.00 0.00 H new ATOM 0 HB VAL A 6 10.435 5.162 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.146 5.611 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.286 4.260 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.682 5.866 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.625 7.454 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.164 7.774 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.145 7.509 0.456 1.00 0.00 H new ATOM 87 N ARG A 7 12.876 3.294 2.811 1.00 0.00 N ATOM 88 CA ARG A 7 13.073 1.823 3.047 1.00 0.00 C ATOM 89 C ARG A 7 11.685 1.158 3.070 1.00 0.00 C ATOM 90 O ARG A 7 11.113 0.895 4.112 1.00 0.00 O ATOM 91 CB ARG A 7 13.802 1.627 4.410 1.00 0.00 C ATOM 92 CG ARG A 7 13.150 2.564 5.479 1.00 0.00 C ATOM 93 CD ARG A 7 13.345 2.052 6.903 1.00 0.00 C ATOM 94 NE ARG A 7 14.817 1.873 7.142 1.00 0.00 N ATOM 95 CZ ARG A 7 15.245 1.074 8.045 1.00 0.00 C ATOM 96 NH1 ARG A 7 15.106 1.448 9.246 1.00 0.00 N ATOM 97 NH2 ARG A 7 15.778 -0.035 7.726 1.00 0.00 N ATOM 0 H ARG A 7 13.038 3.866 3.640 1.00 0.00 H new ATOM 0 HA ARG A 7 13.679 1.372 2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.731 0.587 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.862 1.857 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.580 3.562 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.084 2.658 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.927 2.758 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.820 1.107 7.042 1.00 0.00 H new ATOM 0 HE ARG A 7 15.485 2.396 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.671 2.347 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.429 0.851 10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.867 -0.294 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.116 -0.666 8.453 1.00 0.00 H new ATOM 111 N ALA A 8 11.179 0.910 1.899 1.00 0.00 N ATOM 112 CA ALA A 8 9.839 0.277 1.780 1.00 0.00 C ATOM 113 C ALA A 8 9.873 -1.261 1.968 1.00 0.00 C ATOM 114 O ALA A 8 10.620 -1.995 1.360 1.00 0.00 O ATOM 115 CB ALA A 8 9.287 0.704 0.378 1.00 0.00 C ATOM 0 H ALA A 8 11.638 1.119 1.013 1.00 0.00 H new ATOM 0 HA ALA A 8 9.181 0.616 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.299 0.269 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.216 1.791 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.961 0.350 -0.402 1.00 0.00 H new ATOM 121 N THR A 9 9.032 -1.725 2.837 1.00 0.00 N ATOM 122 CA THR A 9 8.923 -3.200 3.146 1.00 0.00 C ATOM 123 C THR A 9 7.823 -3.729 2.200 1.00 0.00 C ATOM 124 O THR A 9 7.420 -2.997 1.318 1.00 0.00 O ATOM 125 CB THR A 9 8.515 -3.362 4.642 1.00 0.00 C ATOM 126 OG1 THR A 9 7.494 -2.401 4.798 1.00 0.00 O ATOM 127 CG2 THR A 9 9.533 -2.878 5.670 1.00 0.00 C ATOM 0 H THR A 9 8.390 -1.139 3.370 1.00 0.00 H new ATOM 0 HA THR A 9 9.854 -3.747 2.999 1.00 0.00 H new ATOM 0 HB THR A 9 8.318 -4.421 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.511 -2.052 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.142 -3.041 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.464 -3.432 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.722 -1.815 5.522 1.00 0.00 H new ATOM 135 N TYR A 10 7.366 -4.947 2.342 1.00 0.00 N ATOM 136 CA TYR A 10 6.286 -5.437 1.412 1.00 0.00 C ATOM 137 C TYR A 10 5.043 -6.166 1.997 1.00 0.00 C ATOM 138 O TYR A 10 4.915 -7.374 1.909 1.00 0.00 O ATOM 139 CB TYR A 10 6.986 -6.328 0.340 1.00 0.00 C ATOM 140 CG TYR A 10 7.665 -7.603 0.873 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.756 -7.928 2.216 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.211 -8.465 -0.054 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.385 -9.093 2.607 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.834 -9.626 0.346 1.00 0.00 C ATOM 145 CZ TYR A 10 8.924 -9.945 1.679 1.00 0.00 C ATOM 146 OH TYR A 10 9.539 -11.104 2.097 1.00 0.00 O ATOM 0 H TYR A 10 7.681 -5.616 3.044 1.00 0.00 H new ATOM 0 HA TYR A 10 5.822 -4.530 1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.245 -6.617 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.736 -5.726 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.334 -7.268 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.149 -8.227 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.453 -9.336 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.255 -10.291 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 10 8.990 -11.875 1.844 1.00 0.00 H new ATOM 156 N HIS A 11 4.135 -5.425 2.595 1.00 0.00 N ATOM 157 CA HIS A 11 2.911 -6.065 3.158 1.00 0.00 C ATOM 158 C HIS A 11 1.986 -5.704 2.008 1.00 0.00 C ATOM 159 O HIS A 11 1.332 -4.677 1.950 1.00 0.00 O ATOM 160 CB HIS A 11 2.462 -5.386 4.440 1.00 0.00 C ATOM 161 CG HIS A 11 1.371 -6.207 5.160 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.142 -6.096 6.423 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.439 -7.161 4.750 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.180 -6.879 6.786 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.287 -7.562 5.776 1.00 0.00 N ATOM 0 H HIS A 11 4.193 -4.414 2.714 1.00 0.00 H new ATOM 0 HA HIS A 11 2.990 -7.117 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.317 -5.255 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.080 -4.391 4.212 1.00 0.00 H new ATOM 0 HD1 HIS A 11 1.651 -5.474 7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.328 -7.520 3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.191 -6.958 7.797 1.00 0.00 H new ATOM 173 N TYR A 12 2.009 -6.619 1.084 1.00 0.00 N ATOM 174 CA TYR A 12 1.185 -6.469 -0.132 1.00 0.00 C ATOM 175 C TYR A 12 -0.062 -7.343 -0.163 1.00 0.00 C ATOM 176 O TYR A 12 -0.037 -8.559 -0.231 1.00 0.00 O ATOM 177 CB TYR A 12 2.034 -6.787 -1.384 1.00 0.00 C ATOM 178 CG TYR A 12 2.738 -8.146 -1.304 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.140 -9.302 -1.760 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.993 -8.217 -0.762 1.00 0.00 C ATOM 181 CE1 TYR A 12 2.808 -10.515 -1.667 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.656 -9.417 -0.669 1.00 0.00 C ATOM 183 CZ TYR A 12 4.069 -10.574 -1.121 1.00 0.00 C ATOM 184 OH TYR A 12 4.736 -11.775 -1.028 1.00 0.00 O ATOM 0 H TYR A 12 2.570 -7.470 1.124 1.00 0.00 H new ATOM 0 HA TYR A 12 0.846 -5.433 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.392 -6.768 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.781 -6.005 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.150 -9.263 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.469 -7.317 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.335 -11.417 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.645 -9.451 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 12 5.614 -11.631 -0.618 1.00 0.00 H new ATOM 194 N TYR A 13 -1.163 -6.660 -0.095 1.00 0.00 N ATOM 195 CA TYR A 13 -2.453 -7.377 -0.135 1.00 0.00 C ATOM 196 C TYR A 13 -2.552 -7.737 -1.626 1.00 0.00 C ATOM 197 O TYR A 13 -2.278 -6.912 -2.478 1.00 0.00 O ATOM 198 CB TYR A 13 -3.585 -6.426 0.328 1.00 0.00 C ATOM 199 CG TYR A 13 -4.437 -7.290 1.235 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.837 -7.758 2.382 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.743 -7.629 0.954 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.516 -8.561 3.250 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.429 -8.441 1.834 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.821 -8.906 2.977 1.00 0.00 C ATOM 205 OH TYR A 13 -6.525 -9.712 3.837 1.00 0.00 O ATOM 0 H TYR A 13 -1.224 -5.645 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.532 -8.249 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.188 -5.560 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.159 -6.046 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.814 -7.485 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.223 -7.264 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.034 -8.924 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.453 -8.714 1.623 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.430 -9.851 3.488 1.00 0.00 H new ATOM 215 N ARG A 14 -2.944 -8.970 -1.855 1.00 0.00 N ATOM 216 CA ARG A 14 -3.108 -9.607 -3.225 1.00 0.00 C ATOM 217 C ARG A 14 -4.547 -9.901 -3.803 1.00 0.00 C ATOM 218 O ARG A 14 -4.755 -10.920 -4.445 1.00 0.00 O ATOM 219 CB ARG A 14 -2.289 -10.928 -3.143 1.00 0.00 C ATOM 220 CG ARG A 14 -3.081 -11.918 -2.208 1.00 0.00 C ATOM 221 CD ARG A 14 -2.384 -13.263 -1.931 1.00 0.00 C ATOM 222 NE ARG A 14 -1.957 -13.836 -3.248 1.00 0.00 N ATOM 223 CZ ARG A 14 -0.781 -14.286 -3.450 1.00 0.00 C ATOM 224 NH1 ARG A 14 0.169 -13.457 -3.356 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.640 -15.518 -3.731 1.00 0.00 N ATOM 0 H ARG A 14 -3.175 -9.611 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.770 -8.857 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.158 -11.360 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.293 -10.738 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.267 -11.421 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.053 -12.118 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.522 -13.120 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.061 -13.946 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.632 -13.867 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.026 -12.482 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.130 -13.763 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.458 -16.124 -3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.291 -15.900 -3.897 1.00 0.00 H new ATOM 239 N PRO A 15 -5.493 -9.016 -3.590 1.00 0.00 N ATOM 240 CA PRO A 15 -6.888 -9.173 -4.095 1.00 0.00 C ATOM 241 C PRO A 15 -6.966 -9.893 -5.450 1.00 0.00 C ATOM 242 O PRO A 15 -7.824 -10.738 -5.639 1.00 0.00 O ATOM 243 CB PRO A 15 -7.417 -7.763 -4.133 1.00 0.00 C ATOM 244 CG PRO A 15 -6.645 -7.043 -3.025 1.00 0.00 C ATOM 245 CD PRO A 15 -5.307 -7.749 -2.849 1.00 0.00 C ATOM 0 HA PRO A 15 -7.489 -9.818 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.245 -7.299 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.492 -7.736 -3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.492 -5.996 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.211 -7.060 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.485 -7.161 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.081 -7.927 -1.798 1.00 0.00 H new ATOM 253 N ALA A 16 -6.088 -9.542 -6.362 1.00 0.00 N ATOM 254 CA ALA A 16 -6.075 -10.187 -7.718 1.00 0.00 C ATOM 255 C ALA A 16 -6.307 -11.728 -7.691 1.00 0.00 C ATOM 256 O ALA A 16 -6.821 -12.243 -8.664 1.00 0.00 O ATOM 257 CB ALA A 16 -4.730 -9.866 -8.415 1.00 0.00 C ATOM 0 H ALA A 16 -5.372 -8.829 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.915 -9.771 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.711 -10.330 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.623 -8.786 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.907 -10.255 -7.815 1.00 0.00 H new ATOM 263 N GLN A 17 -5.921 -12.409 -6.621 1.00 0.00 N ATOM 264 CA GLN A 17 -6.123 -13.917 -6.523 1.00 0.00 C ATOM 265 C GLN A 17 -7.502 -14.282 -7.080 1.00 0.00 C ATOM 266 O GLN A 17 -7.638 -15.219 -7.835 1.00 0.00 O ATOM 267 CB GLN A 17 -6.007 -14.393 -5.026 1.00 0.00 C ATOM 268 CG GLN A 17 -5.980 -16.004 -4.942 1.00 0.00 C ATOM 269 CD GLN A 17 -7.334 -16.745 -5.026 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.392 -17.950 -5.129 1.00 0.00 O ATOM 271 NE2 GLN A 17 -8.463 -16.124 -4.979 1.00 0.00 N ATOM 0 H GLN A 17 -5.473 -11.988 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.349 -14.417 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.101 -13.985 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.848 -14.008 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.344 -16.372 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.501 -16.284 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.483 -15.108 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.336 -16.649 -5.028 1.00 0.00 H new ATOM 280 N ASN A 18 -8.495 -13.523 -6.686 1.00 0.00 N ATOM 281 CA ASN A 18 -9.887 -13.770 -7.172 1.00 0.00 C ATOM 282 C ASN A 18 -10.165 -12.589 -8.122 1.00 0.00 C ATOM 283 O ASN A 18 -11.113 -11.859 -7.928 1.00 0.00 O ATOM 284 CB ASN A 18 -10.866 -13.749 -5.969 1.00 0.00 C ATOM 285 CG ASN A 18 -12.242 -14.256 -6.449 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.318 -15.089 -7.321 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.364 -13.840 -5.968 1.00 0.00 N ATOM 0 H ASN A 18 -8.399 -12.737 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.009 -14.734 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.490 -14.380 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.953 -12.739 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.243 -14.214 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.373 -13.137 -5.229 1.00 0.00 H new ATOM 294 N ASN A 19 -9.327 -12.428 -9.121 1.00 0.00 N ATOM 295 CA ASN A 19 -9.463 -11.309 -10.132 1.00 0.00 C ATOM 296 C ASN A 19 -9.959 -10.059 -9.362 1.00 0.00 C ATOM 297 O ASN A 19 -10.900 -9.382 -9.732 1.00 0.00 O ATOM 298 CB ASN A 19 -10.479 -11.771 -11.174 1.00 0.00 C ATOM 299 CG ASN A 19 -10.215 -11.068 -12.490 1.00 0.00 C ATOM 300 OD1 ASN A 19 -9.951 -9.893 -12.591 1.00 0.00 O ATOM 301 ND2 ASN A 19 -10.273 -11.755 -13.576 1.00 0.00 N ATOM 0 H ASN A 19 -8.529 -13.041 -9.288 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.528 -11.064 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.412 -12.851 -11.307 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.491 -11.554 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.099 -11.304 -14.474 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.493 -12.750 -13.539 1.00 0.00 H new ATOM 308 N TRP A 20 -9.230 -9.829 -8.302 1.00 0.00 N ATOM 309 CA TRP A 20 -9.480 -8.714 -7.348 1.00 0.00 C ATOM 310 C TRP A 20 -10.980 -8.400 -7.178 1.00 0.00 C ATOM 311 O TRP A 20 -11.543 -7.356 -7.461 1.00 0.00 O ATOM 312 CB TRP A 20 -8.782 -7.410 -7.759 1.00 0.00 C ATOM 313 CG TRP A 20 -7.929 -7.300 -8.984 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.428 -7.528 -10.180 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.661 -6.890 -9.093 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.418 -7.233 -10.972 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.274 -6.819 -10.412 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.812 -6.547 -8.078 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.971 -6.358 -10.662 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.556 -6.109 -8.365 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.133 -6.011 -9.646 1.00 0.00 C ATOM 0 H TRP A 20 -8.427 -10.405 -8.049 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.067 -9.073 -6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.564 -6.656 -7.856 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.156 -7.114 -6.917 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.417 -7.871 -10.445 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.505 -7.318 -11.985 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.137 -6.623 -7.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.626 -6.277 -11.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.889 -5.836 -7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.135 -5.659 -9.862 1.00 0.00 H new ATOM 332 N ASP A 21 -11.565 -9.430 -6.672 1.00 0.00 N ATOM 333 CA ASP A 21 -13.000 -9.493 -6.355 1.00 0.00 C ATOM 334 C ASP A 21 -13.115 -8.708 -5.048 1.00 0.00 C ATOM 335 O ASP A 21 -13.371 -9.202 -3.963 1.00 0.00 O ATOM 336 CB ASP A 21 -13.406 -10.959 -6.162 1.00 0.00 C ATOM 337 CG ASP A 21 -14.838 -11.045 -5.585 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.562 -10.060 -5.669 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.140 -12.110 -5.078 1.00 0.00 O ATOM 0 H ASP A 21 -11.067 -10.292 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.646 -9.087 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.358 -11.486 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.705 -11.453 -5.489 1.00 0.00 H new ATOM 344 N LEU A 22 -12.890 -7.432 -5.201 1.00 0.00 N ATOM 345 CA LEU A 22 -12.968 -6.514 -4.049 1.00 0.00 C ATOM 346 C LEU A 22 -14.279 -6.804 -3.303 1.00 0.00 C ATOM 347 O LEU A 22 -14.351 -6.613 -2.106 1.00 0.00 O ATOM 348 CB LEU A 22 -12.882 -5.099 -4.622 1.00 0.00 C ATOM 349 CG LEU A 22 -11.516 -4.875 -5.353 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.410 -3.372 -5.583 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.319 -5.317 -4.437 1.00 0.00 C ATOM 0 H LEU A 22 -12.653 -6.989 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.163 -6.638 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.704 -4.934 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.994 -4.370 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.474 -5.452 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.473 -3.147 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.246 -3.038 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.435 -2.855 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.379 -5.153 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.328 -4.730 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.419 -6.375 -4.193 1.00 0.00 H new ATOM 363 N GLY A 23 -15.255 -7.262 -4.060 1.00 0.00 N ATOM 364 CA GLY A 23 -16.606 -7.611 -3.507 1.00 0.00 C ATOM 365 C GLY A 23 -16.451 -8.523 -2.282 1.00 0.00 C ATOM 366 O GLY A 23 -17.107 -8.318 -1.283 1.00 0.00 O ATOM 0 H GLY A 23 -15.166 -7.411 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.140 -6.702 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.203 -8.111 -4.270 1.00 0.00 H new ATOM 370 N ALA A 24 -15.591 -9.502 -2.408 1.00 0.00 N ATOM 371 CA ALA A 24 -15.324 -10.477 -1.300 1.00 0.00 C ATOM 372 C ALA A 24 -15.026 -9.813 0.098 1.00 0.00 C ATOM 373 O ALA A 24 -13.901 -9.416 0.351 1.00 0.00 O ATOM 374 CB ALA A 24 -14.141 -11.351 -1.726 1.00 0.00 C ATOM 0 H ALA A 24 -15.048 -9.672 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.234 -11.058 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.920 -12.073 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.392 -11.881 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.267 -10.722 -1.897 1.00 0.00 H new ATOM 380 N PRO A 25 -16.021 -9.709 0.966 1.00 0.00 N ATOM 381 CA PRO A 25 -15.994 -8.858 2.203 1.00 0.00 C ATOM 382 C PRO A 25 -14.579 -8.537 2.745 1.00 0.00 C ATOM 383 O PRO A 25 -14.166 -7.406 2.925 1.00 0.00 O ATOM 384 CB PRO A 25 -16.869 -9.654 3.196 1.00 0.00 C ATOM 385 CG PRO A 25 -17.888 -10.441 2.304 1.00 0.00 C ATOM 386 CD PRO A 25 -17.300 -10.461 0.853 1.00 0.00 C ATOM 0 HA PRO A 25 -16.372 -7.854 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.264 -10.334 3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.384 -8.988 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.027 -11.455 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.866 -9.960 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.133 -11.480 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.978 -9.989 0.142 1.00 0.00 H new ATOM 394 N ALA A 26 -13.921 -9.637 2.986 1.00 0.00 N ATOM 395 CA ALA A 26 -12.523 -9.732 3.516 1.00 0.00 C ATOM 396 C ALA A 26 -11.568 -8.606 3.082 1.00 0.00 C ATOM 397 O ALA A 26 -10.733 -8.150 3.838 1.00 0.00 O ATOM 398 CB ALA A 26 -12.006 -11.144 3.088 1.00 0.00 C ATOM 0 H ALA A 26 -14.335 -10.555 2.821 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.545 -9.603 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.985 -11.281 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.647 -11.912 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.025 -11.224 2.001 1.00 0.00 H new ATOM 404 N VAL A 27 -11.757 -8.218 1.857 1.00 0.00 N ATOM 405 CA VAL A 27 -10.935 -7.138 1.226 1.00 0.00 C ATOM 406 C VAL A 27 -11.658 -5.767 1.251 1.00 0.00 C ATOM 407 O VAL A 27 -11.220 -4.782 1.810 1.00 0.00 O ATOM 408 CB VAL A 27 -10.670 -7.491 -0.263 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.498 -6.637 -0.726 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.357 -8.994 -0.509 1.00 0.00 C ATOM 0 H VAL A 27 -12.468 -8.614 1.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.009 -7.067 1.797 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.580 -7.288 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.279 -6.856 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.753 -5.582 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.622 -6.861 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.184 -9.160 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.466 -9.277 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.201 -9.600 -0.180 1.00 0.00 H new ATOM 420 N SER A 28 -12.774 -5.831 0.572 1.00 0.00 N ATOM 421 CA SER A 28 -13.760 -4.721 0.347 1.00 0.00 C ATOM 422 C SER A 28 -13.224 -3.270 0.298 1.00 0.00 C ATOM 423 O SER A 28 -13.864 -2.319 0.705 1.00 0.00 O ATOM 424 CB SER A 28 -14.898 -4.797 1.423 1.00 0.00 C ATOM 425 OG SER A 28 -14.248 -4.679 2.675 1.00 0.00 O ATOM 0 H SER A 28 -13.068 -6.697 0.120 1.00 0.00 H new ATOM 0 HA SER A 28 -14.110 -4.910 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.625 -3.997 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.443 -5.738 1.351 1.00 0.00 H new ATOM 0 HG SER A 28 -14.062 -5.572 3.032 1.00 0.00 H new ATOM 431 N ALA A 29 -12.025 -3.174 -0.216 1.00 0.00 N ATOM 432 CA ALA A 29 -11.262 -1.890 -0.406 1.00 0.00 C ATOM 433 C ALA A 29 -12.096 -0.594 -0.609 1.00 0.00 C ATOM 434 O ALA A 29 -12.952 -0.571 -1.470 1.00 0.00 O ATOM 435 CB ALA A 29 -10.341 -2.181 -1.599 1.00 0.00 C ATOM 0 H ALA A 29 -11.505 -3.992 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.738 -1.643 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.739 -1.299 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.685 -3.017 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.944 -2.434 -2.471 1.00 0.00 H new ATOM 441 N TYR A 30 -11.820 0.446 0.130 1.00 0.00 N ATOM 442 CA TYR A 30 -12.582 1.740 0.017 1.00 0.00 C ATOM 443 C TYR A 30 -13.607 2.059 -1.087 1.00 0.00 C ATOM 444 O TYR A 30 -14.760 2.215 -0.756 1.00 0.00 O ATOM 445 CB TYR A 30 -11.546 2.911 0.008 1.00 0.00 C ATOM 446 CG TYR A 30 -11.796 3.866 1.187 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.049 4.435 1.362 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.790 4.196 2.063 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.284 5.310 2.401 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.029 5.078 3.101 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.282 5.633 3.277 1.00 0.00 C ATOM 452 OH TYR A 30 -12.531 6.499 4.315 1.00 0.00 O ATOM 0 H TYR A 30 -11.078 0.460 0.830 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.246 1.612 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.535 2.509 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.617 3.459 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.848 4.190 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.808 3.764 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.265 5.744 2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.229 5.335 3.780 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.714 6.620 4.843 1.00 0.00 H new ATOM 462 N CYS A 31 -13.226 2.142 -2.329 1.00 0.00 N ATOM 463 CA CYS A 31 -14.231 2.476 -3.390 1.00 0.00 C ATOM 464 C CYS A 31 -14.769 1.288 -4.202 1.00 0.00 C ATOM 465 O CYS A 31 -15.547 1.463 -5.120 1.00 0.00 O ATOM 466 CB CYS A 31 -13.504 3.591 -4.231 1.00 0.00 C ATOM 467 SG CYS A 31 -13.441 5.154 -3.310 1.00 0.00 S ATOM 0 H CYS A 31 -12.272 1.996 -2.660 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.172 2.823 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.493 3.267 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.028 3.741 -5.175 1.00 0.00 H new ATOM 472 N ALA A 32 -14.349 0.101 -3.814 1.00 0.00 N ATOM 473 CA ALA A 32 -14.766 -1.181 -4.479 1.00 0.00 C ATOM 474 C ALA A 32 -16.179 -1.041 -5.044 1.00 0.00 C ATOM 475 O ALA A 32 -16.362 -1.113 -6.238 1.00 0.00 O ATOM 476 CB ALA A 32 -14.681 -2.292 -3.417 1.00 0.00 C ATOM 0 H ALA A 32 -13.708 -0.034 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.115 -1.426 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.977 -3.243 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.658 -2.366 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.348 -2.055 -2.588 1.00 0.00 H new ATOM 482 N THR A 33 -17.085 -0.838 -4.128 1.00 0.00 N ATOM 483 CA THR A 33 -18.554 -0.653 -4.373 1.00 0.00 C ATOM 484 C THR A 33 -18.862 0.209 -5.616 1.00 0.00 C ATOM 485 O THR A 33 -19.707 -0.099 -6.429 1.00 0.00 O ATOM 486 CB THR A 33 -19.117 0.000 -3.109 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.615 -0.771 -2.030 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.610 -0.204 -2.938 1.00 0.00 C ATOM 0 H THR A 33 -16.846 -0.789 -3.138 1.00 0.00 H new ATOM 0 HA THR A 33 -19.015 -1.619 -4.579 1.00 0.00 H new ATOM 0 HB THR A 33 -18.865 1.060 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.941 -0.400 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.941 0.285 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 33 -21.136 0.227 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.827 -1.271 -2.879 1.00 0.00 H new ATOM 496 N TRP A 34 -18.115 1.278 -5.675 1.00 0.00 N ATOM 497 CA TRP A 34 -18.144 2.348 -6.732 1.00 0.00 C ATOM 498 C TRP A 34 -17.139 2.218 -7.913 1.00 0.00 C ATOM 499 O TRP A 34 -17.375 2.768 -8.967 1.00 0.00 O ATOM 500 CB TRP A 34 -17.935 3.670 -5.939 1.00 0.00 C ATOM 501 CG TRP A 34 -19.053 3.748 -4.897 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.384 3.639 -5.166 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.878 3.891 -3.569 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.925 3.718 -3.966 1.00 0.00 N ATOM 505 CE2 TRP A 34 -20.097 3.869 -2.944 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.724 4.046 -2.833 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.164 3.991 -1.577 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.779 4.174 -1.450 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.011 4.142 -0.829 1.00 0.00 C ATOM 0 H TRP A 34 -17.414 1.472 -4.959 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.090 2.283 -7.269 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.957 3.680 -5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.970 4.530 -6.607 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.873 3.518 -6.121 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.935 3.665 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.768 4.068 -3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.124 3.969 -1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.875 4.296 -0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.075 4.235 0.245 1.00 0.00 H new ATOM 520 N ASP A 35 -16.063 1.510 -7.714 1.00 0.00 N ATOM 521 CA ASP A 35 -14.998 1.295 -8.749 1.00 0.00 C ATOM 522 C ASP A 35 -15.064 -0.078 -9.459 1.00 0.00 C ATOM 523 O ASP A 35 -14.937 -0.162 -10.662 1.00 0.00 O ATOM 524 CB ASP A 35 -13.624 1.414 -8.071 1.00 0.00 C ATOM 525 CG ASP A 35 -13.047 2.799 -7.827 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.780 3.759 -7.865 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.845 2.772 -7.609 1.00 0.00 O ATOM 0 H ASP A 35 -15.865 1.045 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.159 2.054 -9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.686 0.908 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.907 0.860 -8.677 1.00 0.00 H new ATOM 532 N ALA A 36 -15.259 -1.111 -8.677 1.00 0.00 N ATOM 533 CA ALA A 36 -15.343 -2.536 -9.172 1.00 0.00 C ATOM 534 C ALA A 36 -16.324 -2.692 -10.339 1.00 0.00 C ATOM 535 O ALA A 36 -16.236 -3.600 -11.139 1.00 0.00 O ATOM 536 CB ALA A 36 -15.767 -3.410 -7.989 1.00 0.00 C ATOM 0 H ALA A 36 -15.369 -1.026 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.369 -2.842 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.838 -4.449 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.028 -3.327 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.737 -3.077 -7.620 1.00 0.00 H new ATOM 542 N SER A 37 -17.231 -1.759 -10.353 1.00 0.00 N ATOM 543 CA SER A 37 -18.300 -1.681 -11.389 1.00 0.00 C ATOM 544 C SER A 37 -17.653 -1.330 -12.730 1.00 0.00 C ATOM 545 O SER A 37 -18.098 -1.802 -13.756 1.00 0.00 O ATOM 546 CB SER A 37 -19.311 -0.593 -10.992 1.00 0.00 C ATOM 547 OG SER A 37 -18.523 0.596 -10.989 1.00 0.00 O ATOM 0 H SER A 37 -17.277 -1.014 -9.658 1.00 0.00 H new ATOM 0 HA SER A 37 -18.820 -2.635 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.134 -0.529 -11.703 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.750 -0.788 -10.013 1.00 0.00 H new ATOM 0 HG SER A 37 -19.085 1.361 -10.745 1.00 0.00 H new ATOM 553 N LYS A 38 -16.625 -0.516 -12.725 1.00 0.00 N ATOM 554 CA LYS A 38 -15.972 -0.160 -14.021 1.00 0.00 C ATOM 555 C LYS A 38 -15.375 -1.424 -14.659 1.00 0.00 C ATOM 556 O LYS A 38 -14.960 -2.332 -13.961 1.00 0.00 O ATOM 557 CB LYS A 38 -14.843 0.858 -13.767 1.00 0.00 C ATOM 558 CG LYS A 38 -15.390 2.282 -13.710 1.00 0.00 C ATOM 559 CD LYS A 38 -14.306 3.160 -13.049 1.00 0.00 C ATOM 560 CE LYS A 38 -14.701 4.623 -13.193 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.912 5.431 -12.207 1.00 0.00 N ATOM 0 H LYS A 38 -16.216 -0.089 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.714 0.274 -14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.339 0.621 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.097 0.783 -14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.622 2.646 -14.711 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.316 2.316 -13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.201 2.900 -11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.339 2.983 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.506 4.969 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.769 4.746 -13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.172 6.434 -12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.120 5.102 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.896 5.318 -12.400 1.00 0.00 H new ATOM 575 N PRO A 39 -15.315 -1.465 -15.972 1.00 0.00 N ATOM 576 CA PRO A 39 -14.708 -2.615 -16.695 1.00 0.00 C ATOM 577 C PRO A 39 -13.373 -2.971 -16.026 1.00 0.00 C ATOM 578 O PRO A 39 -12.426 -2.202 -16.064 1.00 0.00 O ATOM 579 CB PRO A 39 -14.615 -2.099 -18.160 1.00 0.00 C ATOM 580 CG PRO A 39 -14.631 -0.565 -17.953 1.00 0.00 C ATOM 581 CD PRO A 39 -15.766 -0.426 -16.933 1.00 0.00 C ATOM 0 HA PRO A 39 -15.267 -3.551 -16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.705 -2.436 -18.656 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.453 -2.439 -18.768 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.682 -0.190 -17.570 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.837 -0.025 -18.877 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.819 0.568 -16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.747 -0.638 -17.358 1.00 0.00 H new ATOM 589 N LEU A 40 -13.326 -4.127 -15.405 1.00 0.00 N ATOM 590 CA LEU A 40 -12.077 -4.562 -14.730 1.00 0.00 C ATOM 591 C LEU A 40 -10.826 -4.224 -15.470 1.00 0.00 C ATOM 592 O LEU A 40 -9.844 -3.944 -14.821 1.00 0.00 O ATOM 593 CB LEU A 40 -12.155 -6.081 -14.459 1.00 0.00 C ATOM 594 CG LEU A 40 -12.045 -6.316 -12.935 1.00 0.00 C ATOM 595 CD1 LEU A 40 -13.128 -5.546 -12.180 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.207 -7.792 -12.655 1.00 0.00 C ATOM 0 H LEU A 40 -14.104 -4.784 -15.341 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.013 -4.003 -13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.094 -6.485 -14.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.351 -6.600 -14.981 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.070 -5.963 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.027 -5.730 -11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.020 -4.479 -12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.111 -5.879 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.131 -7.969 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.183 -8.125 -13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.424 -8.348 -13.171 1.00 0.00 H new ATOM 608 N SER A 41 -10.871 -4.254 -16.775 1.00 0.00 N ATOM 609 CA SER A 41 -9.633 -3.908 -17.533 1.00 0.00 C ATOM 610 C SER A 41 -9.013 -2.619 -16.960 1.00 0.00 C ATOM 611 O SER A 41 -7.948 -2.665 -16.384 1.00 0.00 O ATOM 612 CB SER A 41 -9.986 -3.705 -18.997 1.00 0.00 C ATOM 613 OG SER A 41 -8.768 -3.166 -19.493 1.00 0.00 O ATOM 0 H SER A 41 -11.687 -4.496 -17.337 1.00 0.00 H new ATOM 0 HA SER A 41 -8.909 -4.718 -17.441 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.256 -4.639 -19.490 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.824 -3.021 -19.129 1.00 0.00 H new ATOM 0 HG SER A 41 -8.857 -2.985 -20.452 1.00 0.00 H new ATOM 619 N TRP A 42 -9.679 -1.499 -17.099 1.00 0.00 N ATOM 620 CA TRP A 42 -9.097 -0.233 -16.552 1.00 0.00 C ATOM 621 C TRP A 42 -8.496 -0.428 -15.145 1.00 0.00 C ATOM 622 O TRP A 42 -7.380 -0.011 -14.870 1.00 0.00 O ATOM 623 CB TRP A 42 -10.186 0.847 -16.480 1.00 0.00 C ATOM 624 CG TRP A 42 -9.514 2.125 -15.950 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.773 2.954 -16.738 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.533 2.598 -14.675 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.376 3.885 -15.902 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.781 3.761 -14.644 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.144 2.146 -13.502 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.641 4.468 -13.468 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.008 2.855 -12.320 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.255 4.017 -12.303 1.00 0.00 C ATOM 0 H TRP A 42 -10.585 -1.406 -17.559 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.295 0.071 -17.224 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.624 1.020 -17.463 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.996 0.535 -15.821 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.563 2.866 -17.794 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.788 4.662 -16.203 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.727 1.237 -13.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.053 5.374 -13.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.486 2.504 -11.417 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.144 4.574 -11.385 1.00 0.00 H new ATOM 643 N ARG A 43 -9.310 -1.083 -14.355 1.00 0.00 N ATOM 644 CA ARG A 43 -9.008 -1.414 -12.921 1.00 0.00 C ATOM 645 C ARG A 43 -7.700 -2.215 -12.654 1.00 0.00 C ATOM 646 O ARG A 43 -6.799 -1.774 -11.961 1.00 0.00 O ATOM 647 CB ARG A 43 -10.270 -2.169 -12.412 1.00 0.00 C ATOM 648 CG ARG A 43 -10.265 -2.252 -10.894 1.00 0.00 C ATOM 649 CD ARG A 43 -10.559 -0.879 -10.253 1.00 0.00 C ATOM 650 NE ARG A 43 -10.396 -1.032 -8.755 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.371 -0.756 -7.976 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.515 -1.250 -8.257 1.00 0.00 N ATOM 653 NH2 ARG A 43 -11.138 0.000 -6.974 1.00 0.00 N ATOM 0 H ARG A 43 -10.222 -1.421 -14.662 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.804 -0.490 -12.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.170 -1.655 -12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.297 -3.172 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.011 -2.976 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.296 -2.615 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.876 -0.122 -10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.569 -0.550 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.509 -1.355 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.627 -1.842 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.317 -1.052 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.198 0.363 -6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.892 0.241 -6.331 1.00 0.00 H new ATOM 667 N SER A 44 -7.661 -3.381 -13.216 1.00 0.00 N ATOM 668 CA SER A 44 -6.487 -4.332 -13.101 1.00 0.00 C ATOM 669 C SER A 44 -5.314 -3.810 -13.976 1.00 0.00 C ATOM 670 O SER A 44 -4.168 -3.975 -13.621 1.00 0.00 O ATOM 671 CB SER A 44 -6.960 -5.672 -13.603 1.00 0.00 C ATOM 672 OG SER A 44 -7.322 -5.395 -14.953 1.00 0.00 O ATOM 0 H SER A 44 -8.426 -3.748 -13.783 1.00 0.00 H new ATOM 0 HA SER A 44 -6.134 -4.411 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.176 -6.427 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.806 -6.044 -13.026 1.00 0.00 H new ATOM 0 HG SER A 44 -7.648 -6.215 -15.379 1.00 0.00 H new ATOM 678 N LYS A 45 -5.663 -3.229 -15.101 1.00 0.00 N ATOM 679 CA LYS A 45 -4.714 -2.635 -16.110 1.00 0.00 C ATOM 680 C LYS A 45 -3.634 -1.794 -15.449 1.00 0.00 C ATOM 681 O LYS A 45 -2.458 -2.005 -15.677 1.00 0.00 O ATOM 682 CB LYS A 45 -5.513 -1.741 -17.105 1.00 0.00 C ATOM 683 CG LYS A 45 -4.578 -1.062 -18.133 1.00 0.00 C ATOM 684 CD LYS A 45 -5.391 -0.063 -19.045 1.00 0.00 C ATOM 685 CE LYS A 45 -5.127 1.432 -18.707 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.839 1.849 -17.457 1.00 0.00 N ATOM 0 H LYS A 45 -6.640 -3.136 -15.380 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.229 -3.459 -16.633 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.252 -2.348 -17.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.061 -0.979 -16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.785 -0.525 -17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.097 -1.820 -18.752 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.134 -0.243 -20.089 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.456 -0.270 -18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.056 1.595 -18.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.454 2.057 -19.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.417 2.727 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.845 2.010 -17.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.751 1.100 -16.741 1.00 0.00 H new ATOM 700 N TYR A 46 -4.075 -0.846 -14.660 1.00 0.00 N ATOM 701 CA TYR A 46 -3.057 0.015 -13.981 1.00 0.00 C ATOM 702 C TYR A 46 -2.485 -0.724 -12.748 1.00 0.00 C ATOM 703 O TYR A 46 -2.894 -1.818 -12.427 1.00 0.00 O ATOM 704 CB TYR A 46 -3.756 1.307 -13.572 1.00 0.00 C ATOM 705 CG TYR A 46 -3.153 2.593 -14.202 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.791 2.840 -14.171 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.976 3.540 -14.787 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.257 4.004 -14.707 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.454 4.702 -15.322 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.106 4.944 -15.285 1.00 0.00 C ATOM 711 OH TYR A 46 -1.670 6.149 -15.803 1.00 0.00 O ATOM 0 H TYR A 46 -5.053 -0.635 -14.461 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.222 0.238 -14.645 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.808 1.240 -13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.719 1.398 -12.486 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.131 2.113 -13.721 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.042 3.368 -14.826 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.192 4.179 -14.676 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.115 5.427 -15.774 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.788 6.855 -15.133 1.00 0.00 H new ATOM 721 N GLY A 47 -1.530 -0.130 -12.068 1.00 0.00 N ATOM 722 CA GLY A 47 -0.972 -0.851 -10.875 1.00 0.00 C ATOM 723 C GLY A 47 -2.070 -1.248 -9.882 1.00 0.00 C ATOM 724 O GLY A 47 -2.329 -2.421 -9.713 1.00 0.00 O ATOM 0 H GLY A 47 -1.126 0.784 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.442 -1.744 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.243 -0.214 -10.374 1.00 0.00 H new ATOM 728 N TRP A 48 -2.648 -0.241 -9.264 1.00 0.00 N ATOM 729 CA TRP A 48 -3.728 -0.375 -8.275 1.00 0.00 C ATOM 730 C TRP A 48 -2.932 -0.768 -7.047 1.00 0.00 C ATOM 731 O TRP A 48 -2.029 -1.578 -6.994 1.00 0.00 O ATOM 732 CB TRP A 48 -4.830 -1.411 -8.902 1.00 0.00 C ATOM 733 CG TRP A 48 -5.358 -2.508 -8.001 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.539 -3.124 -7.164 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.613 -3.015 -7.897 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.312 -3.993 -6.560 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.568 -3.996 -6.940 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.821 -2.792 -8.528 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.663 -4.729 -6.610 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.952 -3.547 -8.193 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.866 -4.526 -7.226 1.00 0.00 C ATOM 0 H TRP A 48 -2.381 0.729 -9.432 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.353 0.479 -8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.680 -0.825 -9.251 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.386 -1.882 -9.779 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.483 -2.952 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.960 -4.626 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.894 -2.028 -9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.581 -5.487 -5.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.892 -3.362 -8.692 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.729 -5.119 -6.961 1.00 0.00 H new ATOM 752 N THR A 49 -3.286 -0.075 -6.038 1.00 0.00 N ATOM 753 CA THR A 49 -2.619 -0.326 -4.728 1.00 0.00 C ATOM 754 C THR A 49 -3.353 0.056 -3.488 1.00 0.00 C ATOM 755 O THR A 49 -3.938 1.133 -3.440 1.00 0.00 O ATOM 756 CB THR A 49 -1.260 0.424 -4.531 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.539 1.804 -4.695 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.261 0.120 -5.608 1.00 0.00 C ATOM 0 H THR A 49 -4.000 0.653 -6.041 1.00 0.00 H new ATOM 0 HA THR A 49 -2.534 -1.409 -4.823 1.00 0.00 H new ATOM 0 HB THR A 49 -0.857 0.130 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.397 2.017 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.660 0.670 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.050 -0.949 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.666 0.418 -6.575 1.00 0.00 H new ATOM 766 N ALA A 50 -3.371 -0.837 -2.525 1.00 0.00 N ATOM 767 CA ALA A 50 -4.080 -0.292 -1.278 1.00 0.00 C ATOM 768 C ALA A 50 -2.853 0.530 -0.772 1.00 0.00 C ATOM 769 O ALA A 50 -1.782 0.381 -1.336 1.00 0.00 O ATOM 770 CB ALA A 50 -4.414 -1.289 -0.104 1.00 0.00 C ATOM 0 H ALA A 50 -2.994 -1.785 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.051 0.140 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.913 -0.749 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.069 -2.078 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.491 -1.730 0.273 1.00 0.00 H new ATOM 776 N PHE A 51 -2.948 1.375 0.215 1.00 0.00 N ATOM 777 CA PHE A 51 -1.714 2.129 0.622 1.00 0.00 C ATOM 778 C PHE A 51 -1.547 2.508 2.122 1.00 0.00 C ATOM 779 O PHE A 51 -2.508 2.726 2.822 1.00 0.00 O ATOM 780 CB PHE A 51 -1.703 3.397 -0.326 1.00 0.00 C ATOM 781 CG PHE A 51 -0.713 4.474 0.136 1.00 0.00 C ATOM 782 CD1 PHE A 51 -1.100 5.423 1.071 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.565 4.513 -0.372 1.00 0.00 C ATOM 784 CE1 PHE A 51 -0.212 6.396 1.489 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.448 5.482 0.046 1.00 0.00 C ATOM 786 CZ PHE A 51 1.065 6.423 0.972 1.00 0.00 C ATOM 0 H PHE A 51 -3.794 1.578 0.747 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.854 1.469 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.448 3.086 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.705 3.824 -0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.101 5.401 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.876 3.780 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.518 7.132 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.450 5.503 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.763 7.182 1.294 1.00 0.00 H new ATOM 796 N CYS A 52 -0.326 2.570 2.590 1.00 0.00 N ATOM 797 CA CYS A 52 -0.049 2.954 4.044 1.00 0.00 C ATOM 798 C CYS A 52 0.665 4.296 4.220 1.00 0.00 C ATOM 799 O CYS A 52 0.173 5.178 4.890 1.00 0.00 O ATOM 800 CB CYS A 52 0.836 1.917 4.749 1.00 0.00 C ATOM 801 SG CYS A 52 0.015 0.738 5.837 1.00 0.00 S ATOM 0 H CYS A 52 0.509 2.373 2.038 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.046 3.012 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.372 1.355 3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.584 2.453 5.334 1.00 0.00 H new ATOM 806 N GLY A 53 1.810 4.412 3.610 1.00 0.00 N ATOM 807 CA GLY A 53 2.626 5.662 3.694 1.00 0.00 C ATOM 808 C GLY A 53 3.871 5.296 4.496 1.00 0.00 C ATOM 809 O GLY A 53 4.617 4.447 4.050 1.00 0.00 O ATOM 0 H GLY A 53 2.228 3.675 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.893 6.021 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.068 6.461 4.182 1.00 0.00 H new ATOM 813 N PRO A 54 4.085 5.904 5.641 1.00 0.00 N ATOM 814 CA PRO A 54 3.131 6.810 6.367 1.00 0.00 C ATOM 815 C PRO A 54 3.131 8.273 5.851 1.00 0.00 C ATOM 816 O PRO A 54 2.195 9.030 6.037 1.00 0.00 O ATOM 817 CB PRO A 54 3.593 6.638 7.805 1.00 0.00 C ATOM 818 CG PRO A 54 5.144 6.582 7.656 1.00 0.00 C ATOM 819 CD PRO A 54 5.365 5.725 6.381 1.00 0.00 C ATOM 0 HA PRO A 54 2.081 6.556 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.276 7.469 8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.195 5.727 8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.571 7.579 7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.613 6.128 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.220 6.074 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.550 4.678 6.623 1.00 0.00 H new ATOM 827 N ALA A 55 4.191 8.641 5.186 1.00 0.00 N ATOM 828 CA ALA A 55 4.292 10.031 4.648 1.00 0.00 C ATOM 829 C ALA A 55 3.488 10.091 3.331 1.00 0.00 C ATOM 830 O ALA A 55 4.033 9.976 2.251 1.00 0.00 O ATOM 831 CB ALA A 55 5.803 10.348 4.443 1.00 0.00 C ATOM 0 H ALA A 55 4.992 8.041 4.991 1.00 0.00 H new ATOM 0 HA ALA A 55 3.878 10.778 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.913 11.359 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.324 10.272 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.232 9.636 3.738 1.00 0.00 H new ATOM 837 N GLY A 56 2.197 10.252 3.513 1.00 0.00 N ATOM 838 CA GLY A 56 1.216 10.342 2.361 1.00 0.00 C ATOM 839 C GLY A 56 -0.269 10.593 2.751 1.00 0.00 C ATOM 840 O GLY A 56 -1.062 9.664 2.696 1.00 0.00 O ATOM 0 H GLY A 56 1.764 10.328 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.538 11.144 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.270 9.415 1.790 1.00 0.00 H new ATOM 844 N PRO A 57 -0.656 11.802 3.115 1.00 0.00 N ATOM 845 CA PRO A 57 -2.034 12.044 3.646 1.00 0.00 C ATOM 846 C PRO A 57 -3.113 12.088 2.545 1.00 0.00 C ATOM 847 O PRO A 57 -3.323 13.058 1.828 1.00 0.00 O ATOM 848 CB PRO A 57 -1.873 13.374 4.462 1.00 0.00 C ATOM 849 CG PRO A 57 -0.368 13.784 4.320 1.00 0.00 C ATOM 850 CD PRO A 57 0.149 13.049 3.074 1.00 0.00 C ATOM 0 HA PRO A 57 -2.403 11.230 4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.529 14.153 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.141 13.225 5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.265 14.863 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.200 13.500 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.022 13.619 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.219 12.849 3.129 1.00 0.00 H new ATOM 858 N ARG A 58 -3.776 10.964 2.466 1.00 0.00 N ATOM 859 CA ARG A 58 -4.887 10.682 1.499 1.00 0.00 C ATOM 860 C ARG A 58 -6.130 10.028 2.164 1.00 0.00 C ATOM 861 O ARG A 58 -6.032 9.087 2.923 1.00 0.00 O ATOM 862 CB ARG A 58 -4.205 9.815 0.356 1.00 0.00 C ATOM 863 CG ARG A 58 -4.766 8.366 0.093 1.00 0.00 C ATOM 864 CD ARG A 58 -4.120 7.425 1.105 1.00 0.00 C ATOM 865 NE ARG A 58 -4.635 6.011 0.886 1.00 0.00 N ATOM 866 CZ ARG A 58 -5.393 5.412 1.734 1.00 0.00 C ATOM 867 NH1 ARG A 58 -5.431 5.825 2.939 1.00 0.00 N ATOM 868 NH2 ARG A 58 -6.091 4.423 1.358 1.00 0.00 N ATOM 0 H ARG A 58 -3.577 10.173 3.078 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.320 11.593 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.277 10.375 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.145 9.725 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.851 8.352 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.539 8.047 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.035 7.449 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.348 7.753 2.119 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.369 5.519 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.863 6.624 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.029 5.357 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.049 4.108 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.695 3.942 2.025 1.00 0.00 H new ATOM 882 N GLY A 59 -7.281 10.557 1.848 1.00 0.00 N ATOM 883 CA GLY A 59 -8.597 10.044 2.409 1.00 0.00 C ATOM 884 C GLY A 59 -9.649 10.050 1.318 1.00 0.00 C ATOM 885 O GLY A 59 -9.270 10.082 0.168 1.00 0.00 O ATOM 0 H GLY A 59 -7.382 11.345 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.469 9.035 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.918 10.670 3.242 1.00 0.00 H new ATOM 889 N GLN A 60 -10.909 9.997 1.686 1.00 0.00 N ATOM 890 CA GLN A 60 -12.055 10.010 0.695 1.00 0.00 C ATOM 891 C GLN A 60 -11.616 10.689 -0.652 1.00 0.00 C ATOM 892 O GLN A 60 -11.658 10.131 -1.733 1.00 0.00 O ATOM 893 CB GLN A 60 -13.269 10.774 1.379 1.00 0.00 C ATOM 894 CG GLN A 60 -13.537 10.250 2.862 1.00 0.00 C ATOM 895 CD GLN A 60 -14.832 10.784 3.508 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.063 10.640 4.688 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.734 11.406 2.826 1.00 0.00 N ATOM 0 H GLN A 60 -11.207 9.944 2.660 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.360 8.995 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.058 11.843 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.168 10.640 0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.577 9.161 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.691 10.529 3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.601 11.561 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.580 11.743 3.286 1.00 0.00 H new ATOM 906 N ALA A 61 -11.168 11.910 -0.516 1.00 0.00 N ATOM 907 CA ALA A 61 -10.697 12.734 -1.673 1.00 0.00 C ATOM 908 C ALA A 61 -9.551 12.125 -2.537 1.00 0.00 C ATOM 909 O ALA A 61 -8.978 12.823 -3.351 1.00 0.00 O ATOM 910 CB ALA A 61 -10.286 14.092 -1.083 1.00 0.00 C ATOM 0 H ALA A 61 -11.107 12.388 0.383 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.515 12.802 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.931 14.743 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.145 14.552 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.490 13.946 -0.353 1.00 0.00 H new ATOM 916 N ALA A 62 -9.228 10.874 -2.349 1.00 0.00 N ATOM 917 CA ALA A 62 -8.154 10.176 -3.132 1.00 0.00 C ATOM 918 C ALA A 62 -8.816 9.151 -4.122 1.00 0.00 C ATOM 919 O ALA A 62 -8.146 8.598 -4.978 1.00 0.00 O ATOM 920 CB ALA A 62 -7.214 9.476 -2.105 1.00 0.00 C ATOM 0 H ALA A 62 -9.682 10.279 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.570 10.872 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.417 8.956 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.779 10.223 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.787 8.759 -1.518 1.00 0.00 H new ATOM 926 N CYS A 63 -10.109 8.944 -3.961 1.00 0.00 N ATOM 927 CA CYS A 63 -10.915 8.000 -4.821 1.00 0.00 C ATOM 928 C CYS A 63 -10.968 8.544 -6.274 1.00 0.00 C ATOM 929 O CYS A 63 -11.918 9.132 -6.755 1.00 0.00 O ATOM 930 CB CYS A 63 -12.329 7.890 -4.172 1.00 0.00 C ATOM 931 SG CYS A 63 -13.580 6.662 -4.654 1.00 0.00 S ATOM 0 H CYS A 63 -10.660 9.409 -3.240 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.469 7.007 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -12.163 7.751 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.798 8.866 -4.297 1.00 0.00 H new ATOM 936 N GLY A 64 -9.865 8.296 -6.922 1.00 0.00 N ATOM 937 CA GLY A 64 -9.601 8.693 -8.350 1.00 0.00 C ATOM 938 C GLY A 64 -8.193 9.261 -8.583 1.00 0.00 C ATOM 939 O GLY A 64 -8.012 10.158 -9.380 1.00 0.00 O ATOM 0 H GLY A 64 -9.081 7.802 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.743 7.823 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.338 9.437 -8.653 1.00 0.00 H new ATOM 943 N LYS A 65 -7.237 8.727 -7.864 1.00 0.00 N ATOM 944 CA LYS A 65 -5.803 9.167 -7.989 1.00 0.00 C ATOM 945 C LYS A 65 -4.806 7.974 -8.068 1.00 0.00 C ATOM 946 O LYS A 65 -5.138 6.820 -7.856 1.00 0.00 O ATOM 947 CB LYS A 65 -5.487 10.084 -6.774 1.00 0.00 C ATOM 948 CG LYS A 65 -6.365 11.354 -6.946 1.00 0.00 C ATOM 949 CD LYS A 65 -6.070 12.398 -5.852 1.00 0.00 C ATOM 950 CE LYS A 65 -7.197 13.414 -5.914 1.00 0.00 C ATOM 951 NZ LYS A 65 -7.161 14.260 -4.679 1.00 0.00 N ATOM 0 H LYS A 65 -7.389 7.987 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.677 9.707 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.715 9.578 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.429 10.344 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.184 11.793 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.419 11.077 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.024 11.928 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.106 12.877 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.092 14.039 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.158 12.906 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.448 15.231 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.814 13.868 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.196 14.269 -4.292 1.00 0.00 H new ATOM 965 N CYS A 66 -3.574 8.294 -8.378 1.00 0.00 N ATOM 966 CA CYS A 66 -2.456 7.295 -8.506 1.00 0.00 C ATOM 967 C CYS A 66 -1.164 7.664 -7.710 1.00 0.00 C ATOM 968 O CYS A 66 -1.056 8.698 -7.081 1.00 0.00 O ATOM 969 CB CYS A 66 -2.197 7.182 -10.005 1.00 0.00 C ATOM 970 SG CYS A 66 -3.477 6.317 -10.944 1.00 0.00 S ATOM 0 H CYS A 66 -3.281 9.254 -8.557 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.748 6.345 -8.060 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.084 8.186 -10.415 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.248 6.668 -10.156 1.00 0.00 H new ATOM 975 N LEU A 67 -0.188 6.804 -7.733 1.00 0.00 N ATOM 976 CA LEU A 67 1.099 7.094 -6.992 1.00 0.00 C ATOM 977 C LEU A 67 2.285 6.793 -7.947 1.00 0.00 C ATOM 978 O LEU A 67 2.267 5.769 -8.602 1.00 0.00 O ATOM 979 CB LEU A 67 1.069 6.195 -5.709 1.00 0.00 C ATOM 980 CG LEU A 67 1.690 6.940 -4.508 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.446 6.108 -3.246 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.219 7.060 -4.660 1.00 0.00 C ATOM 0 H LEU A 67 -0.212 5.912 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 67 1.213 8.133 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.041 5.916 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.617 5.271 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 67 1.240 7.931 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.878 6.618 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.374 5.983 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.912 5.129 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.630 7.589 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.658 6.064 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.452 7.612 -5.571 1.00 0.00 H new ATOM 994 N ARG A 68 3.285 7.635 -8.029 1.00 0.00 N ATOM 995 CA ARG A 68 4.413 7.318 -8.964 1.00 0.00 C ATOM 996 C ARG A 68 5.529 6.802 -8.064 1.00 0.00 C ATOM 997 O ARG A 68 5.931 7.479 -7.131 1.00 0.00 O ATOM 998 CB ARG A 68 4.840 8.609 -9.735 1.00 0.00 C ATOM 999 CG ARG A 68 6.120 8.272 -10.556 1.00 0.00 C ATOM 1000 CD ARG A 68 6.661 9.495 -11.323 1.00 0.00 C ATOM 1001 NE ARG A 68 7.067 10.537 -10.310 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.132 11.801 -10.555 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.565 12.299 -11.586 1.00 0.00 N ATOM 1004 NH2 ARG A 68 7.785 12.519 -9.725 1.00 0.00 N ATOM 0 H ARG A 68 3.372 8.506 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 68 4.147 6.583 -9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.039 8.942 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.037 9.423 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.892 7.897 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.896 7.473 -11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.513 9.211 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.899 9.892 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 68 7.306 10.221 -9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.052 11.695 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.625 13.301 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.226 12.087 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.866 13.525 -9.874 1.00 0.00 H new ATOM 1018 N VAL A 69 5.979 5.615 -8.404 1.00 0.00 N ATOM 1019 CA VAL A 69 7.062 4.940 -7.631 1.00 0.00 C ATOM 1020 C VAL A 69 8.241 4.534 -8.528 1.00 0.00 C ATOM 1021 O VAL A 69 8.079 4.001 -9.610 1.00 0.00 O ATOM 1022 CB VAL A 69 6.470 3.669 -6.949 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.483 2.979 -6.000 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.234 4.051 -6.126 1.00 0.00 C ATOM 0 H VAL A 69 5.632 5.080 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 69 7.440 5.642 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 69 6.215 2.973 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.021 2.100 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.364 2.677 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.778 3.675 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.823 3.160 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.516 4.773 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.483 4.492 -6.781 1.00 0.00 H new ATOM 1034 N THR A 70 9.410 4.819 -8.037 1.00 0.00 N ATOM 1035 CA THR A 70 10.675 4.467 -8.787 1.00 0.00 C ATOM 1036 C THR A 70 11.644 3.734 -7.849 1.00 0.00 C ATOM 1037 O THR A 70 11.636 3.977 -6.660 1.00 0.00 O ATOM 1038 CB THR A 70 11.328 5.753 -9.330 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.510 6.140 -10.429 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.726 5.473 -9.934 1.00 0.00 C ATOM 0 H THR A 70 9.560 5.284 -7.142 1.00 0.00 H new ATOM 0 HA THR A 70 10.433 3.813 -9.624 1.00 0.00 H new ATOM 0 HB THR A 70 11.422 6.487 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.866 6.961 -10.829 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.155 6.404 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.377 5.055 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.632 4.763 -10.755 1.00 0.00 H new ATOM 1048 N ASN A 71 12.449 2.862 -8.381 1.00 0.00 N ATOM 1049 CA ASN A 71 13.445 2.073 -7.574 1.00 0.00 C ATOM 1050 C ASN A 71 14.975 2.328 -7.859 1.00 0.00 C ATOM 1051 O ASN A 71 15.628 1.492 -8.464 1.00 0.00 O ATOM 1052 CB ASN A 71 12.988 0.633 -7.842 1.00 0.00 C ATOM 1053 CG ASN A 71 13.904 -0.424 -7.255 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.110 -1.469 -7.825 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.492 -0.255 -6.113 1.00 0.00 N ATOM 0 H ASN A 71 12.465 2.649 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 71 13.432 2.370 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.986 0.499 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.916 0.480 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.095 -0.987 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.352 0.610 -5.590 1.00 0.00 H new ATOM 1062 N PRO A 72 15.524 3.452 -7.424 1.00 0.00 N ATOM 1063 CA PRO A 72 16.859 3.959 -7.907 1.00 0.00 C ATOM 1064 C PRO A 72 17.867 2.823 -8.151 1.00 0.00 C ATOM 1065 O PRO A 72 18.414 2.676 -9.223 1.00 0.00 O ATOM 1066 CB PRO A 72 17.252 4.964 -6.806 1.00 0.00 C ATOM 1067 CG PRO A 72 15.878 5.606 -6.506 1.00 0.00 C ATOM 1068 CD PRO A 72 14.945 4.367 -6.393 1.00 0.00 C ATOM 0 HA PRO A 72 16.831 4.433 -8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.680 4.474 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.984 5.694 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.894 6.187 -5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.563 6.280 -7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.969 3.927 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.906 4.617 -6.606 1.00 0.00 H new ATOM 1076 N ALA A 73 18.032 2.069 -7.097 1.00 0.00 N ATOM 1077 CA ALA A 73 18.932 0.881 -7.009 1.00 0.00 C ATOM 1078 C ALA A 73 19.009 0.005 -8.288 1.00 0.00 C ATOM 1079 O ALA A 73 20.060 -0.513 -8.605 1.00 0.00 O ATOM 1080 CB ALA A 73 18.432 0.083 -5.794 1.00 0.00 C ATOM 0 H ALA A 73 17.536 2.248 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 73 19.963 1.219 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.047 -0.808 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.499 0.702 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.395 -0.212 -5.954 1.00 0.00 H new ATOM 1086 N THR A 74 17.909 -0.150 -8.976 1.00 0.00 N ATOM 1087 CA THR A 74 17.878 -0.985 -10.238 1.00 0.00 C ATOM 1088 C THR A 74 17.674 0.026 -11.369 1.00 0.00 C ATOM 1089 O THR A 74 18.215 -0.123 -12.445 1.00 0.00 O ATOM 1090 CB THR A 74 16.683 -2.026 -10.190 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.495 -1.242 -10.177 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.634 -2.701 -8.830 1.00 0.00 C ATOM 0 H THR A 74 17.013 0.267 -8.723 1.00 0.00 H new ATOM 0 HA THR A 74 18.789 -1.569 -10.370 1.00 0.00 H new ATOM 0 HB THR A 74 16.789 -2.739 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.036 -1.358 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.810 -3.414 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.573 -3.225 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.484 -1.949 -8.056 1.00 0.00 H new ATOM 1100 N GLY A 75 16.888 1.039 -11.080 1.00 0.00 N ATOM 1101 CA GLY A 75 16.601 2.113 -12.096 1.00 0.00 C ATOM 1102 C GLY A 75 15.184 1.972 -12.630 1.00 0.00 C ATOM 1103 O GLY A 75 14.692 2.807 -13.360 1.00 0.00 O ATOM 0 H GLY A 75 16.429 1.171 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.729 3.096 -11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.314 2.046 -12.917 1.00 0.00 H new ATOM 1107 N ALA A 76 14.577 0.896 -12.218 1.00 0.00 N ATOM 1108 CA ALA A 76 13.188 0.551 -12.630 1.00 0.00 C ATOM 1109 C ALA A 76 12.097 1.457 -12.033 1.00 0.00 C ATOM 1110 O ALA A 76 12.266 2.022 -10.974 1.00 0.00 O ATOM 1111 CB ALA A 76 13.049 -0.904 -12.219 1.00 0.00 C ATOM 0 H ALA A 76 15.003 0.216 -11.589 1.00 0.00 H new ATOM 0 HA ALA A 76 13.037 0.708 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.053 -1.262 -12.479 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.797 -1.502 -12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.197 -0.994 -11.143 1.00 0.00 H new ATOM 1117 N GLN A 77 10.988 1.605 -12.707 1.00 0.00 N ATOM 1118 CA GLN A 77 9.894 2.480 -12.163 1.00 0.00 C ATOM 1119 C GLN A 77 8.501 2.101 -12.667 1.00 0.00 C ATOM 1120 O GLN A 77 8.368 1.524 -13.729 1.00 0.00 O ATOM 1121 CB GLN A 77 10.252 3.939 -12.528 1.00 0.00 C ATOM 1122 CG GLN A 77 10.519 4.111 -14.049 1.00 0.00 C ATOM 1123 CD GLN A 77 11.065 5.516 -14.266 1.00 0.00 C ATOM 1124 OE1 GLN A 77 12.093 5.898 -13.758 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.428 6.352 -15.009 1.00 0.00 N ATOM 0 H GLN A 77 10.787 1.164 -13.605 1.00 0.00 H new ATOM 0 HA GLN A 77 9.837 2.348 -11.083 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.438 4.598 -12.226 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.135 4.246 -11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.232 3.365 -14.399 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.601 3.965 -14.618 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.556 6.073 -15.458 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.796 7.293 -15.149 1.00 0.00 H new ATOM 1134 N ILE A 78 7.523 2.450 -11.870 1.00 0.00 N ATOM 1135 CA ILE A 78 6.082 2.167 -12.165 1.00 0.00 C ATOM 1136 C ILE A 78 5.072 3.203 -11.580 1.00 0.00 C ATOM 1137 O ILE A 78 5.435 4.019 -10.753 1.00 0.00 O ATOM 1138 CB ILE A 78 5.846 0.789 -11.574 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.873 -0.044 -12.401 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.405 0.866 -10.073 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.716 -0.783 -13.456 1.00 0.00 C ATOM 0 H ILE A 78 7.671 2.941 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 78 5.904 2.229 -13.239 1.00 0.00 H new ATOM 0 HB ILE A 78 6.806 0.273 -11.607 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.335 -0.751 -11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.126 0.591 -12.877 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.246 -0.141 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.183 1.359 -9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.478 1.434 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.064 -1.397 -14.078 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.235 -0.056 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.447 -1.420 -12.957 1.00 0.00 H new ATOM 1153 N THR A 79 3.832 3.148 -12.016 1.00 0.00 N ATOM 1154 CA THR A 79 2.772 4.084 -11.490 1.00 0.00 C ATOM 1155 C THR A 79 1.609 3.230 -10.928 1.00 0.00 C ATOM 1156 O THR A 79 1.025 2.407 -11.607 1.00 0.00 O ATOM 1157 CB THR A 79 2.239 5.004 -12.610 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.161 6.081 -12.568 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.879 5.667 -12.238 1.00 0.00 C ATOM 0 H THR A 79 3.503 2.489 -12.721 1.00 0.00 H new ATOM 0 HA THR A 79 3.203 4.714 -10.712 1.00 0.00 H new ATOM 0 HB THR A 79 2.124 4.451 -13.542 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.922 6.743 -13.250 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.548 6.304 -13.059 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.134 4.892 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.002 6.270 -11.338 1.00 0.00 H new ATOM 1167 N ALA A 80 1.311 3.478 -9.691 1.00 0.00 N ATOM 1168 CA ALA A 80 0.221 2.747 -8.991 1.00 0.00 C ATOM 1169 C ALA A 80 -1.100 3.473 -9.130 1.00 0.00 C ATOM 1170 O ALA A 80 -1.143 4.632 -9.492 1.00 0.00 O ATOM 1171 CB ALA A 80 0.584 2.637 -7.532 1.00 0.00 C ATOM 0 H ALA A 80 1.788 4.174 -9.118 1.00 0.00 H new ATOM 0 HA ALA A 80 0.110 1.759 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.204 2.103 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.523 2.093 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.696 3.635 -7.109 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.131 2.751 -8.799 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.490 3.311 -8.888 1.00 0.00 C ATOM 1179 C ARG A 81 -3.871 3.334 -7.411 1.00 0.00 C ATOM 1180 O ARG A 81 -3.945 2.282 -6.820 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.279 2.316 -9.786 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.787 3.114 -11.024 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.895 2.333 -11.707 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.192 2.460 -10.961 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.341 2.569 -9.682 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.636 3.276 -8.872 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.307 1.877 -9.261 1.00 0.00 N ATOM 0 H ARG A 81 -2.082 1.787 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.652 4.294 -9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.640 1.489 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.116 1.883 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.154 4.092 -10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.967 3.287 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.023 2.695 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.614 1.282 -11.775 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.044 2.460 -11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.859 3.833 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.854 3.279 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.860 1.322 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.536 1.872 -8.267 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.109 4.460 -6.810 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.469 4.386 -5.344 1.00 0.00 C ATOM 1203 C ILE A 82 -5.825 3.659 -5.202 1.00 0.00 C ATOM 1204 O ILE A 82 -6.703 3.916 -6.005 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.544 5.840 -4.782 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.160 6.535 -5.018 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.855 5.792 -3.266 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.024 7.865 -4.256 1.00 0.00 C ATOM 0 H ILE A 82 -4.077 5.390 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.720 3.830 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.332 6.399 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.362 5.860 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.027 6.717 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.907 6.807 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.810 5.291 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.067 5.244 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.046 8.301 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.803 8.554 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.127 7.684 -3.186 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.000 2.758 -4.260 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.344 2.053 -4.120 1.00 0.00 C ATOM 1222 C VAL A 83 -7.878 1.985 -2.666 1.00 0.00 C ATOM 1223 O VAL A 83 -8.983 2.375 -2.341 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.193 0.598 -4.727 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.391 -0.318 -4.314 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.148 0.685 -6.267 1.00 0.00 C ATOM 0 H VAL A 83 -5.289 2.475 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.086 2.639 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.270 0.167 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.257 -1.309 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.430 -0.398 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.322 0.114 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.044 -0.316 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.070 1.137 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.298 1.296 -6.572 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.012 1.461 -1.869 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.335 1.299 -0.414 1.00 0.00 C ATOM 1238 C ASP A 84 -6.179 1.714 0.538 1.00 0.00 C ATOM 1239 O ASP A 84 -5.286 2.444 0.151 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.757 -0.185 -0.229 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.382 -0.274 1.156 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.345 0.422 1.388 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.840 -1.017 1.931 1.00 0.00 O ATOM 0 H ASP A 84 -6.088 1.132 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.140 1.978 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.468 -0.487 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.896 -0.849 -0.312 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.214 1.257 1.764 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.194 1.551 2.803 1.00 0.00 C ATOM 1250 C GLN A 85 -4.455 0.239 3.187 1.00 0.00 C ATOM 1251 O GLN A 85 -4.960 -0.837 2.952 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.930 2.114 3.987 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.921 2.727 4.991 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.677 3.712 5.855 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.164 4.691 6.340 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.931 3.530 6.092 1.00 0.00 N ATOM 0 H GLN A 85 -6.963 0.652 2.101 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.448 2.262 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.638 2.875 3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.509 1.329 4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.470 1.947 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.109 3.226 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.411 2.717 5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.444 4.199 6.667 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.296 0.316 3.765 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.590 -0.959 4.137 1.00 0.00 C ATOM 1267 C CYS A 86 -2.622 -1.079 5.675 1.00 0.00 C ATOM 1268 O CYS A 86 -3.313 -0.308 6.311 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.177 -0.874 3.606 1.00 0.00 C ATOM 1270 SG CYS A 86 0.188 -0.973 4.784 1.00 0.00 S ATOM 0 H CYS A 86 -2.806 1.180 3.997 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.065 -1.843 3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.047 -1.675 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.081 0.067 3.065 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.914 -2.016 6.242 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.935 -2.144 7.742 1.00 0.00 C ATOM 1277 C ALA A 87 -0.552 -1.875 8.356 1.00 0.00 C ATOM 1278 O ALA A 87 -0.366 -0.947 9.117 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.436 -3.573 8.080 1.00 0.00 C ATOM 0 H ALA A 87 -1.329 -2.691 5.750 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.603 -1.397 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.464 -3.702 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.437 -3.714 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.760 -4.308 7.644 1.00 0.00 H new ATOM 1285 N ASN A 88 0.389 -2.704 8.012 1.00 0.00 N ATOM 1286 CA ASN A 88 1.781 -2.551 8.540 1.00 0.00 C ATOM 1287 C ASN A 88 2.766 -3.175 7.558 1.00 0.00 C ATOM 1288 O ASN A 88 2.363 -3.905 6.685 1.00 0.00 O ATOM 1289 CB ASN A 88 1.855 -3.253 9.900 1.00 0.00 C ATOM 1290 CG ASN A 88 1.403 -4.691 9.708 1.00 0.00 C ATOM 1291 OD1 ASN A 88 1.885 -5.418 8.872 1.00 0.00 O ATOM 1292 ND2 ASN A 88 0.472 -5.184 10.447 1.00 0.00 N ATOM 0 H ASN A 88 0.257 -3.493 7.380 1.00 0.00 H new ATOM 0 HA ASN A 88 2.037 -1.498 8.659 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.872 -3.222 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.219 -2.747 10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.172 -6.150 10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.034 -4.609 11.167 1.00 0.00 H new ATOM 1299 N GLY A 89 4.026 -2.900 7.689 1.00 0.00 N ATOM 1300 CA GLY A 89 5.001 -3.521 6.726 1.00 0.00 C ATOM 1301 C GLY A 89 5.003 -2.671 5.468 1.00 0.00 C ATOM 1302 O GLY A 89 4.867 -1.465 5.576 1.00 0.00 O ATOM 0 H GLY A 89 4.429 -2.289 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.999 -3.561 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.712 -4.546 6.496 1.00 0.00 H new ATOM 1306 N GLY A 90 5.171 -3.328 4.337 1.00 0.00 N ATOM 1307 CA GLY A 90 5.182 -2.577 3.018 1.00 0.00 C ATOM 1308 C GLY A 90 3.836 -1.930 2.906 1.00 0.00 C ATOM 1309 O GLY A 90 2.883 -2.479 3.404 1.00 0.00 O ATOM 0 H GLY A 90 5.300 -4.337 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.977 -1.832 2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.361 -3.255 2.183 1.00 0.00 H new ATOM 1313 N LEU A 91 3.761 -0.822 2.236 1.00 0.00 N ATOM 1314 CA LEU A 91 2.466 -0.070 2.090 1.00 0.00 C ATOM 1315 C LEU A 91 1.456 -0.297 0.955 1.00 0.00 C ATOM 1316 O LEU A 91 1.109 0.678 0.306 1.00 0.00 O ATOM 1317 CB LEU A 91 2.934 1.441 2.144 1.00 0.00 C ATOM 1318 CG LEU A 91 3.972 1.790 0.978 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.690 3.216 0.476 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.451 1.841 1.475 1.00 0.00 C ATOM 0 H LEU A 91 4.555 -0.386 1.768 1.00 0.00 H new ATOM 0 HA LEU A 91 1.822 -0.467 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.064 2.093 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.394 1.644 3.111 1.00 0.00 H new ATOM 0 HG LEU A 91 3.851 1.013 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.391 3.467 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.671 3.272 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.807 3.921 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.108 2.082 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.550 2.605 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.730 0.871 1.887 1.00 0.00 H new ATOM 1332 N ASP A 92 0.996 -1.518 0.779 1.00 0.00 N ATOM 1333 CA ASP A 92 0.015 -1.701 -0.375 1.00 0.00 C ATOM 1334 C ASP A 92 -0.867 -2.948 -0.649 1.00 0.00 C ATOM 1335 O ASP A 92 -0.868 -3.927 0.060 1.00 0.00 O ATOM 1336 CB ASP A 92 0.856 -1.429 -1.650 1.00 0.00 C ATOM 1337 CG ASP A 92 2.154 -2.266 -1.631 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.296 -3.211 -0.856 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.960 -1.865 -2.451 1.00 0.00 O ATOM 0 H ASP A 92 1.226 -2.345 1.330 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.790 -1.037 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.272 -1.673 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.101 -0.369 -1.712 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.660 -2.872 -1.711 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.534 -4.052 -2.094 1.00 0.00 C ATOM 1346 C LEU A 93 -1.966 -4.282 -3.502 1.00 0.00 C ATOM 1347 O LEU A 93 -2.556 -3.864 -4.466 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.151 -3.689 -2.063 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.076 -3.774 -3.342 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.544 -3.770 -2.884 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.956 -2.425 -4.129 1.00 0.00 C ATOM 0 H LEU A 93 -1.740 -2.058 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.504 -4.918 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.600 -4.340 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.232 -2.668 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.795 -4.654 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.197 -3.828 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.725 -4.628 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.752 -2.851 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.588 -2.464 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.277 -1.602 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.920 -2.269 -4.428 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.778 -4.857 -3.475 1.00 0.00 N ATOM 1364 CA ASP A 94 0.077 -5.236 -4.621 1.00 0.00 C ATOM 1365 C ASP A 94 -0.050 -6.657 -5.256 1.00 0.00 C ATOM 1366 O ASP A 94 -0.956 -7.022 -5.987 1.00 0.00 O ATOM 1367 CB ASP A 94 1.612 -4.870 -4.158 1.00 0.00 C ATOM 1368 CG ASP A 94 2.621 -5.122 -5.297 1.00 0.00 C ATOM 1369 OD1 ASP A 94 2.073 -5.103 -6.379 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.810 -5.303 -5.061 1.00 0.00 O ATOM 0 H ASP A 94 -0.337 -5.097 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.284 -4.667 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.661 -3.825 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.884 -5.470 -3.290 1.00 0.00 H new ATOM 1375 N TRP A 95 1.003 -7.352 -4.862 1.00 0.00 N ATOM 1376 CA TRP A 95 1.404 -8.754 -5.167 1.00 0.00 C ATOM 1377 C TRP A 95 2.235 -8.783 -6.462 1.00 0.00 C ATOM 1378 O TRP A 95 3.224 -9.483 -6.571 1.00 0.00 O ATOM 1379 CB TRP A 95 0.216 -9.735 -5.409 1.00 0.00 C ATOM 1380 CG TRP A 95 0.975 -11.026 -5.820 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.856 -11.695 -5.015 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.966 -11.611 -7.044 1.00 0.00 C ATOM 1383 NE1 TRP A 95 2.332 -12.638 -5.802 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.857 -12.658 -7.029 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.291 -11.331 -8.219 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.090 -13.413 -8.143 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.521 -12.090 -9.354 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.425 -13.130 -9.309 1.00 0.00 C ATOM 0 H TRP A 95 1.690 -6.915 -4.248 1.00 0.00 H new ATOM 0 HA TRP A 95 1.952 -9.081 -4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.388 -9.880 -4.513 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.455 -9.384 -6.193 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.102 -11.497 -3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.027 -13.312 -5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.418 -10.517 -8.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.795 -14.230 -8.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.005 -11.868 -10.271 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.610 -13.723 -10.193 1.00 0.00 H new ATOM 1399 N ASP A 96 1.740 -7.995 -7.362 1.00 0.00 N ATOM 1400 CA ASP A 96 2.379 -7.886 -8.706 1.00 0.00 C ATOM 1401 C ASP A 96 2.824 -6.461 -9.034 1.00 0.00 C ATOM 1402 O ASP A 96 4.004 -6.165 -9.093 1.00 0.00 O ATOM 1403 CB ASP A 96 1.314 -8.476 -9.730 1.00 0.00 C ATOM 1404 CG ASP A 96 1.822 -8.629 -11.167 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.014 -8.649 -11.390 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.988 -8.721 -12.046 1.00 0.00 O ATOM 0 H ASP A 96 0.913 -7.413 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 96 3.310 -8.450 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.986 -9.451 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.438 -7.827 -9.736 1.00 0.00 H new ATOM 1411 N THR A 97 1.821 -5.643 -9.219 1.00 0.00 N ATOM 1412 CA THR A 97 1.944 -4.184 -9.565 1.00 0.00 C ATOM 1413 C THR A 97 3.271 -3.482 -9.211 1.00 0.00 C ATOM 1414 O THR A 97 3.900 -2.900 -10.076 1.00 0.00 O ATOM 1415 CB THR A 97 0.738 -3.389 -8.902 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.209 -2.681 -7.769 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.385 -4.292 -8.349 1.00 0.00 C ATOM 0 H THR A 97 0.851 -5.948 -9.139 1.00 0.00 H new ATOM 0 HA THR A 97 1.919 -4.166 -10.655 1.00 0.00 H new ATOM 0 HB THR A 97 0.346 -2.758 -9.700 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.467 -2.189 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.169 -3.672 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.803 -4.890 -9.159 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.023 -4.952 -7.583 1.00 0.00 H new ATOM 1425 N VAL A 98 3.648 -3.521 -7.971 1.00 0.00 N ATOM 1426 CA VAL A 98 4.903 -2.883 -7.515 1.00 0.00 C ATOM 1427 C VAL A 98 6.187 -3.722 -7.535 1.00 0.00 C ATOM 1428 O VAL A 98 7.013 -3.573 -8.400 1.00 0.00 O ATOM 1429 CB VAL A 98 4.656 -2.295 -6.063 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.932 -1.659 -5.454 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.651 -1.140 -6.153 1.00 0.00 C ATOM 0 H VAL A 98 3.120 -3.984 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 98 5.113 -2.119 -8.263 1.00 0.00 H new ATOM 0 HB VAL A 98 4.315 -3.130 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.707 -1.272 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.715 -2.413 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.272 -0.843 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.477 -0.731 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.050 -0.360 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.711 -1.507 -6.564 1.00 0.00 H new ATOM 1441 N PHE A 99 6.298 -4.624 -6.594 1.00 0.00 N ATOM 1442 CA PHE A 99 7.562 -5.474 -6.500 1.00 0.00 C ATOM 1443 C PHE A 99 8.089 -6.298 -7.715 1.00 0.00 C ATOM 1444 O PHE A 99 9.077 -5.933 -8.353 1.00 0.00 O ATOM 1445 CB PHE A 99 7.372 -6.414 -5.232 1.00 0.00 C ATOM 1446 CG PHE A 99 8.482 -6.199 -4.136 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.814 -4.924 -3.696 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.171 -7.259 -3.554 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.779 -4.712 -2.726 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.140 -7.045 -2.580 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.443 -5.775 -2.166 1.00 0.00 C ATOM 0 H PHE A 99 5.589 -4.820 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 99 8.362 -4.736 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.393 -6.227 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.383 -7.455 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.304 -4.073 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.948 -8.269 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.010 -3.706 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.658 -7.887 -2.146 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.195 -5.612 -1.408 1.00 0.00 H new ATOM 1461 N THR A 100 7.394 -7.377 -7.995 1.00 0.00 N ATOM 1462 CA THR A 100 7.793 -8.276 -9.144 1.00 0.00 C ATOM 1463 C THR A 100 7.687 -7.471 -10.448 1.00 0.00 C ATOM 1464 O THR A 100 8.350 -7.744 -11.432 1.00 0.00 O ATOM 1465 CB THR A 100 6.852 -9.588 -9.199 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.194 -9.556 -10.455 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.627 -9.611 -8.270 1.00 0.00 C ATOM 0 H THR A 100 6.566 -7.680 -7.481 1.00 0.00 H new ATOM 0 HA THR A 100 8.818 -8.619 -9.006 1.00 0.00 H new ATOM 0 HB THR A 100 7.529 -10.406 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.609 -10.338 -10.538 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.084 -10.546 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.955 -9.531 -7.234 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.973 -8.773 -8.510 1.00 0.00 H new ATOM 1475 N LYS A 101 6.830 -6.483 -10.415 1.00 0.00 N ATOM 1476 CA LYS A 101 6.608 -5.588 -11.596 1.00 0.00 C ATOM 1477 C LYS A 101 7.744 -4.613 -11.882 1.00 0.00 C ATOM 1478 O LYS A 101 8.189 -4.528 -13.009 1.00 0.00 O ATOM 1479 CB LYS A 101 5.379 -4.765 -11.368 1.00 0.00 C ATOM 1480 CG LYS A 101 4.145 -5.481 -11.967 1.00 0.00 C ATOM 1481 CD LYS A 101 4.190 -5.517 -13.540 1.00 0.00 C ATOM 1482 CE LYS A 101 2.787 -5.860 -14.088 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.362 -7.164 -13.495 1.00 0.00 N ATOM 0 H LYS A 101 6.261 -6.252 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 101 6.526 -6.260 -12.450 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.233 -4.603 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.498 -3.783 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.095 -6.500 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.237 -4.972 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.517 -4.552 -13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.915 -6.258 -13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.076 -5.075 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.809 -5.926 -15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.245 -7.868 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.086 -7.493 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.459 -7.040 -12.995 1.00 0.00 H new ATOM 1497 N ILE A 102 8.149 -3.900 -10.857 1.00 0.00 N ATOM 1498 CA ILE A 102 9.246 -2.921 -11.041 1.00 0.00 C ATOM 1499 C ILE A 102 10.486 -3.613 -11.532 1.00 0.00 C ATOM 1500 O ILE A 102 10.915 -3.203 -12.590 1.00 0.00 O ATOM 1501 CB ILE A 102 9.505 -2.085 -9.659 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.692 -2.837 -8.263 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.251 -1.185 -9.584 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.746 -2.198 -7.321 1.00 0.00 C ATOM 0 H ILE A 102 7.766 -3.959 -9.913 1.00 0.00 H new ATOM 0 HA ILE A 102 8.957 -2.197 -11.803 1.00 0.00 H new ATOM 0 HB ILE A 102 10.489 -1.624 -9.749 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.732 -2.863 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.977 -3.871 -8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.301 -0.565 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.208 -0.546 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.358 -1.808 -9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.806 -2.774 -6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.719 -2.197 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.455 -1.173 -7.091 1.00 0.00 H new ATOM 1516 N ASP A 103 11.052 -4.585 -10.862 1.00 0.00 N ATOM 1517 CA ASP A 103 12.288 -5.148 -11.517 1.00 0.00 C ATOM 1518 C ASP A 103 12.768 -6.548 -11.106 1.00 0.00 C ATOM 1519 O ASP A 103 12.010 -7.462 -10.846 1.00 0.00 O ATOM 1520 CB ASP A 103 13.396 -4.053 -11.312 1.00 0.00 C ATOM 1521 CG ASP A 103 14.343 -4.030 -12.525 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.915 -3.602 -13.576 1.00 0.00 O ATOM 1523 OD2 ASP A 103 15.465 -4.457 -12.354 1.00 0.00 O ATOM 0 H ASP A 103 10.755 -4.988 -9.973 1.00 0.00 H new ATOM 0 HA ASP A 103 12.040 -5.347 -12.560 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.933 -3.075 -11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.961 -4.261 -10.403 1.00 0.00 H new ATOM 1528 N THR A 104 14.077 -6.607 -11.095 1.00 0.00 N ATOM 1529 CA THR A 104 14.936 -7.780 -10.741 1.00 0.00 C ATOM 1530 C THR A 104 14.089 -8.923 -10.111 1.00 0.00 C ATOM 1531 O THR A 104 13.590 -9.809 -10.776 1.00 0.00 O ATOM 1532 CB THR A 104 16.085 -7.169 -9.775 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.489 -6.775 -8.548 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.579 -5.766 -10.144 1.00 0.00 C ATOM 0 H THR A 104 14.639 -5.794 -11.347 1.00 0.00 H new ATOM 0 HA THR A 104 15.398 -8.261 -11.603 1.00 0.00 H new ATOM 0 HB THR A 104 16.851 -7.944 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.941 -7.227 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.345 -5.452 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 104 16.999 -5.781 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.744 -5.066 -10.110 1.00 0.00 H new ATOM 1542 N ASN A 105 13.970 -8.863 -8.826 1.00 0.00 N ATOM 1543 CA ASN A 105 13.196 -9.826 -8.003 1.00 0.00 C ATOM 1544 C ASN A 105 12.694 -9.066 -6.770 1.00 0.00 C ATOM 1545 O ASN A 105 12.167 -9.682 -5.867 1.00 0.00 O ATOM 1546 CB ASN A 105 14.115 -11.015 -7.572 1.00 0.00 C ATOM 1547 CG ASN A 105 15.270 -10.559 -6.681 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.100 -9.773 -7.078 1.00 0.00 O ATOM 1549 ND2 ASN A 105 15.368 -11.022 -5.470 1.00 0.00 N ATOM 0 H ASN A 105 14.411 -8.130 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 105 12.358 -10.237 -8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.520 -11.758 -7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.515 -11.503 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.136 -10.722 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.677 -11.685 -5.120 1.00 0.00 H new ATOM 1556 N GLY A 106 12.859 -7.757 -6.740 1.00 0.00 N ATOM 1557 CA GLY A 106 12.393 -6.992 -5.545 1.00 0.00 C ATOM 1558 C GLY A 106 13.261 -7.492 -4.390 1.00 0.00 C ATOM 1559 O GLY A 106 12.732 -7.935 -3.393 1.00 0.00 O ATOM 0 H GLY A 106 13.288 -7.201 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.513 -5.919 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.336 -7.171 -5.350 1.00 0.00 H new ATOM 1563 N ILE A 107 14.563 -7.406 -4.575 1.00 0.00 N ATOM 1564 CA ILE A 107 15.610 -7.838 -3.577 1.00 0.00 C ATOM 1565 C ILE A 107 15.047 -8.041 -2.185 1.00 0.00 C ATOM 1566 O ILE A 107 15.264 -9.074 -1.585 1.00 0.00 O ATOM 1567 CB ILE A 107 16.724 -6.774 -3.541 1.00 0.00 C ATOM 1568 CG1 ILE A 107 17.453 -6.626 -4.910 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.772 -7.132 -2.446 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.046 -7.971 -5.389 1.00 0.00 C ATOM 0 H ILE A 107 14.966 -7.029 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 107 16.002 -8.803 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 107 16.243 -5.823 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 107 16.753 -6.250 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.250 -5.888 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.555 -6.373 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.283 -7.170 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.213 -8.104 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 107 18.546 -7.828 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 107 18.765 -8.334 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.245 -8.701 -5.504 1.00 0.00 H new ATOM 1582 N GLY A 108 14.344 -7.024 -1.738 1.00 0.00 N ATOM 1583 CA GLY A 108 13.691 -7.019 -0.395 1.00 0.00 C ATOM 1584 C GLY A 108 13.193 -8.380 0.018 1.00 0.00 C ATOM 1585 O GLY A 108 13.433 -8.756 1.137 1.00 0.00 O ATOM 0 H GLY A 108 14.194 -6.168 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.401 -6.656 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.855 -6.319 -0.405 1.00 0.00 H new ATOM 1589 N TYR A 109 12.537 -9.105 -0.848 1.00 0.00 N ATOM 1590 CA TYR A 109 12.036 -10.465 -0.447 1.00 0.00 C ATOM 1591 C TYR A 109 13.090 -11.273 0.348 1.00 0.00 C ATOM 1592 O TYR A 109 12.766 -11.943 1.306 1.00 0.00 O ATOM 1593 CB TYR A 109 11.623 -11.227 -1.734 1.00 0.00 C ATOM 1594 CG TYR A 109 11.396 -12.721 -1.410 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.527 -13.131 -0.412 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.085 -13.681 -2.121 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.358 -14.475 -0.136 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.910 -15.022 -1.840 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.049 -15.421 -0.849 1.00 0.00 C ATOM 1600 OH TYR A 109 10.896 -16.761 -0.577 1.00 0.00 O ATOM 0 H TYR A 109 12.325 -8.825 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 109 11.182 -10.341 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.713 -10.793 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.399 -11.124 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.977 -12.395 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.767 -13.382 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.678 -14.782 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.456 -15.763 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 109 11.462 -17.284 -1.182 1.00 0.00 H new ATOM 1610 N GLN A 110 14.300 -11.129 -0.121 1.00 0.00 N ATOM 1611 CA GLN A 110 15.535 -11.786 0.420 1.00 0.00 C ATOM 1612 C GLN A 110 16.100 -11.154 1.728 1.00 0.00 C ATOM 1613 O GLN A 110 16.712 -11.846 2.520 1.00 0.00 O ATOM 1614 CB GLN A 110 16.626 -11.730 -0.716 1.00 0.00 C ATOM 1615 CG GLN A 110 16.102 -12.348 -2.072 1.00 0.00 C ATOM 1616 CD GLN A 110 17.136 -12.291 -3.219 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.785 -11.306 -3.487 1.00 0.00 O ATOM 1618 NE2 GLN A 110 17.338 -13.331 -3.960 1.00 0.00 N ATOM 0 H GLN A 110 14.497 -10.532 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 110 15.267 -12.805 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.924 -10.695 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.515 -12.270 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.817 -13.386 -1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.201 -11.817 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.820 -14.192 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 110 18.015 -13.291 -4.722 1.00 0.00 H new ATOM 1627 N GLN A 111 15.879 -9.880 1.921 1.00 0.00 N ATOM 1628 CA GLN A 111 16.408 -9.180 3.164 1.00 0.00 C ATOM 1629 C GLN A 111 15.350 -8.752 4.210 1.00 0.00 C ATOM 1630 O GLN A 111 15.626 -8.587 5.383 1.00 0.00 O ATOM 1631 CB GLN A 111 17.184 -7.913 2.711 1.00 0.00 C ATOM 1632 CG GLN A 111 18.585 -7.862 3.386 1.00 0.00 C ATOM 1633 CD GLN A 111 19.545 -8.819 2.692 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.285 -9.977 2.471 1.00 0.00 O ATOM 1635 NE2 GLN A 111 20.704 -8.407 2.312 1.00 0.00 N ATOM 0 H GLN A 111 15.357 -9.281 1.281 1.00 0.00 H new ATOM 0 HA GLN A 111 17.029 -9.919 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.296 -7.916 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.616 -7.019 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.979 -6.847 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.497 -8.126 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 111 20.979 -7.438 2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 111 21.348 -9.050 1.850 1.00 0.00 H new ATOM 1644 N GLY A 112 14.171 -8.592 3.682 1.00 0.00 N ATOM 1645 CA GLY A 112 12.932 -8.172 4.398 1.00 0.00 C ATOM 1646 C GLY A 112 12.317 -6.919 3.730 1.00 0.00 C ATOM 1647 O GLY A 112 11.116 -6.766 3.722 1.00 0.00 O ATOM 0 H GLY A 112 14.006 -8.752 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.208 -8.987 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.163 -7.958 5.442 1.00 0.00 H new ATOM 1651 N HIS A 113 13.149 -6.061 3.187 1.00 0.00 N ATOM 1652 CA HIS A 113 12.658 -4.784 2.516 1.00 0.00 C ATOM 1653 C HIS A 113 13.513 -4.201 1.358 1.00 0.00 C ATOM 1654 O HIS A 113 14.579 -4.703 1.069 1.00 0.00 O ATOM 1655 CB HIS A 113 12.559 -3.732 3.607 1.00 0.00 C ATOM 1656 CG HIS A 113 13.959 -3.610 4.252 1.00 0.00 C ATOM 1657 ND1 HIS A 113 15.086 -3.778 3.628 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.343 -3.315 5.553 1.00 0.00 C ATOM 1659 CE1 HIS A 113 16.072 -3.608 4.447 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.657 -3.318 5.653 1.00 0.00 N ATOM 0 H HIS A 113 14.162 -6.181 3.173 1.00 0.00 H new ATOM 0 HA HIS A 113 11.717 -5.052 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.242 -2.775 3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.816 -4.018 4.351 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.662 -3.112 6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.112 -3.695 4.169 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.222 -3.136 6.482 1.00 0.00 H new ATOM 1668 N LEU A 114 13.039 -3.148 0.746 1.00 0.00 N ATOM 1669 CA LEU A 114 13.751 -2.456 -0.382 1.00 0.00 C ATOM 1670 C LEU A 114 13.728 -0.912 -0.160 1.00 0.00 C ATOM 1671 O LEU A 114 13.184 -0.424 0.808 1.00 0.00 O ATOM 1672 CB LEU A 114 13.030 -2.846 -1.693 1.00 0.00 C ATOM 1673 CG LEU A 114 13.718 -2.266 -2.957 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.194 -2.704 -2.988 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.014 -2.830 -4.178 1.00 0.00 C ATOM 0 H LEU A 114 12.147 -2.717 0.991 1.00 0.00 H new ATOM 0 HA LEU A 114 14.797 -2.759 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.993 -3.933 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.999 -2.494 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 114 13.664 -1.177 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.676 -2.296 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.702 -2.334 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.250 -3.792 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.480 -2.436 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.092 -3.917 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.963 -2.542 -4.157 1.00 0.00 H new ATOM 1687 N ASN A 115 14.324 -0.156 -1.044 1.00 0.00 N ATOM 1688 CA ASN A 115 14.328 1.319 -0.900 1.00 0.00 C ATOM 1689 C ASN A 115 13.777 1.906 -2.214 1.00 0.00 C ATOM 1690 O ASN A 115 14.285 1.620 -3.289 1.00 0.00 O ATOM 1691 CB ASN A 115 15.756 1.732 -0.643 1.00 0.00 C ATOM 1692 CG ASN A 115 15.758 3.065 0.100 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.234 4.061 -0.335 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.332 3.184 1.244 1.00 0.00 N ATOM 0 H ASN A 115 14.812 -0.507 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 115 13.709 1.678 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.268 0.971 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.297 1.824 -1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.325 4.082 1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.794 2.380 1.669 1.00 0.00 H new ATOM 1701 N VAL A 116 12.748 2.698 -2.121 1.00 0.00 N ATOM 1702 CA VAL A 116 12.193 3.285 -3.386 1.00 0.00 C ATOM 1703 C VAL A 116 11.805 4.769 -3.145 1.00 0.00 C ATOM 1704 O VAL A 116 11.830 5.250 -2.026 1.00 0.00 O ATOM 1705 CB VAL A 116 10.942 2.384 -3.871 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.242 0.820 -3.921 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.733 2.602 -2.973 1.00 0.00 C ATOM 0 H VAL A 116 12.274 2.963 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 116 12.938 3.277 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 116 10.743 2.717 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.351 0.289 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.061 0.629 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.520 0.471 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.905 1.984 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.986 2.327 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.441 3.652 -3.005 1.00 0.00 H new ATOM 1717 N ASN A 117 11.477 5.433 -4.212 1.00 0.00 N ATOM 1718 CA ASN A 117 11.066 6.880 -4.170 1.00 0.00 C ATOM 1719 C ASN A 117 9.581 6.925 -4.546 1.00 0.00 C ATOM 1720 O ASN A 117 9.222 6.348 -5.560 1.00 0.00 O ATOM 1721 CB ASN A 117 11.969 7.638 -5.179 1.00 0.00 C ATOM 1722 CG ASN A 117 13.211 8.093 -4.434 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.209 9.099 -3.773 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.303 7.416 -4.469 1.00 0.00 N ATOM 0 H ASN A 117 11.473 5.028 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 117 11.186 7.349 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.239 6.990 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.440 8.493 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.120 7.738 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.353 6.556 -5.016 1.00 0.00 H new ATOM 1731 N TYR A 118 8.770 7.589 -3.745 1.00 0.00 N ATOM 1732 CA TYR A 118 7.314 7.642 -4.086 1.00 0.00 C ATOM 1733 C TYR A 118 6.705 9.043 -3.898 1.00 0.00 C ATOM 1734 O TYR A 118 6.813 9.684 -2.866 1.00 0.00 O ATOM 1735 CB TYR A 118 6.574 6.569 -3.217 1.00 0.00 C ATOM 1736 CG TYR A 118 6.412 6.868 -1.720 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.408 7.708 -1.283 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.242 6.284 -0.790 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.234 7.953 0.060 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.068 6.532 0.566 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.059 7.370 0.992 1.00 0.00 C ATOM 1742 OH TYR A 118 5.833 7.671 2.318 1.00 0.00 O ATOM 0 H TYR A 118 9.047 8.081 -2.896 1.00 0.00 H new ATOM 0 HA TYR A 118 7.191 7.420 -5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.581 6.418 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.110 5.625 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.753 8.178 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.035 5.628 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.441 8.610 0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.724 6.068 1.288 1.00 0.00 H new ATOM 0 HH TYR A 118 5.207 8.422 2.381 1.00 0.00 H new ATOM 1752 N GLN A 119 6.073 9.462 -4.960 1.00 0.00 N ATOM 1753 CA GLN A 119 5.409 10.803 -4.990 1.00 0.00 C ATOM 1754 C GLN A 119 3.954 10.636 -5.459 1.00 0.00 C ATOM 1755 O GLN A 119 3.705 9.899 -6.402 1.00 0.00 O ATOM 1756 CB GLN A 119 6.164 11.745 -5.984 1.00 0.00 C ATOM 1757 CG GLN A 119 7.529 11.139 -6.465 1.00 0.00 C ATOM 1758 CD GLN A 119 8.594 11.076 -5.371 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.639 10.500 -5.571 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.401 11.645 -4.222 1.00 0.00 N ATOM 0 H GLN A 119 5.986 8.926 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 119 5.430 11.239 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.530 11.938 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.346 12.706 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.355 10.134 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.908 11.735 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.526 12.135 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.124 11.603 -3.504 1.00 0.00 H new ATOM 1769 N PHE A 120 3.038 11.311 -4.801 1.00 0.00 N ATOM 1770 CA PHE A 120 1.604 11.178 -5.241 1.00 0.00 C ATOM 1771 C PHE A 120 1.456 11.668 -6.707 1.00 0.00 C ATOM 1772 O PHE A 120 2.101 12.618 -7.108 1.00 0.00 O ATOM 1773 CB PHE A 120 0.725 12.019 -4.285 1.00 0.00 C ATOM 1774 CG PHE A 120 0.337 11.208 -3.037 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.286 10.705 -2.169 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.001 10.975 -2.766 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.904 9.986 -1.055 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.385 10.255 -1.651 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.432 9.760 -0.792 1.00 0.00 C ATOM 0 H PHE A 120 3.208 11.928 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 120 1.286 10.136 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.264 12.918 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.175 12.345 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.335 10.876 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.755 11.362 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.656 9.597 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.433 10.081 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.727 9.198 0.082 1.00 0.00 H new ATOM 1789 N VAL A 121 0.621 11.015 -7.468 1.00 0.00 N ATOM 1790 CA VAL A 121 0.421 11.421 -8.894 1.00 0.00 C ATOM 1791 C VAL A 121 -1.002 11.164 -9.422 1.00 0.00 C ATOM 1792 O VAL A 121 -1.614 10.149 -9.143 1.00 0.00 O ATOM 1793 CB VAL A 121 1.520 10.648 -9.709 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.924 9.720 -10.768 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.395 11.652 -10.469 1.00 0.00 C ATOM 0 H VAL A 121 0.066 10.215 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 121 0.527 12.501 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 121 2.083 10.062 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.728 9.212 -11.300 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.284 8.981 -10.286 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.334 10.305 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.157 11.116 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.775 12.230 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.876 12.325 -9.760 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.522 12.093 -10.167 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.882 11.840 -10.689 1.00 0.00 C ATOM 1807 C ASP A 122 -2.719 11.124 -12.059 1.00 0.00 C ATOM 1808 O ASP A 122 -1.862 11.464 -12.853 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.615 13.185 -10.832 1.00 0.00 C ATOM 1810 CG ASP A 122 -5.116 12.876 -10.827 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -5.492 11.946 -11.534 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.780 13.600 -10.100 1.00 0.00 O ATOM 0 H ASP A 122 -1.086 12.978 -10.427 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.471 11.212 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.356 13.855 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.327 13.686 -11.756 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.537 10.143 -12.304 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.471 9.390 -13.605 1.00 0.00 C ATOM 1819 C CYS A 123 -4.392 10.097 -14.612 1.00 0.00 C ATOM 1820 O CYS A 123 -4.171 10.117 -15.804 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.992 7.943 -13.471 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.935 6.611 -12.865 1.00 0.00 S ATOM 0 H CYS A 123 -4.258 9.820 -11.659 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.428 9.365 -13.920 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.862 7.979 -12.816 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.347 7.642 -14.457 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.415 10.652 -14.009 1.00 0.00 N ATOM 1828 CA ARG A 124 -6.528 11.414 -14.666 1.00 0.00 C ATOM 1829 C ARG A 124 -6.794 10.895 -16.100 1.00 0.00 C ATOM 1830 O ARG A 124 -6.618 11.603 -17.075 1.00 0.00 O ATOM 1831 CB ARG A 124 -6.142 12.928 -14.640 1.00 0.00 C ATOM 1832 CG ARG A 124 -7.429 13.845 -14.677 1.00 0.00 C ATOM 1833 CD ARG A 124 -7.366 14.827 -15.863 1.00 0.00 C ATOM 1834 NE ARG A 124 -7.805 14.096 -17.110 1.00 0.00 N ATOM 1835 CZ ARG A 124 -8.611 14.627 -17.953 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -9.866 14.535 -17.767 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -8.079 15.222 -18.939 1.00 0.00 N ATOM 0 H ARG A 124 -5.529 10.600 -12.997 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.464 11.270 -14.126 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -5.564 13.144 -13.741 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -5.503 13.158 -15.493 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.321 13.224 -14.760 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.513 14.400 -13.743 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.012 15.686 -15.679 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.353 15.210 -15.985 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.451 13.156 -17.285 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.226 14.041 -16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.513 14.956 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.063 15.257 -19.026 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.667 15.665 -19.645 1.00 0.00 H new ATOM 1851 N ASP A 125 -7.220 9.663 -16.128 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.546 8.929 -17.372 1.00 0.00 C ATOM 1853 C ASP A 125 -8.809 9.684 -17.924 1.00 0.00 C ATOM 1854 O ASP A 125 -9.867 9.548 -17.322 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.756 7.450 -16.874 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.275 6.324 -17.813 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.609 6.361 -18.979 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.588 5.448 -17.293 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.646 10.383 -18.916 1.00 0.00 O ATOM 0 H ASP A 125 -7.361 9.109 -15.284 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.822 8.892 -18.186 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.244 7.337 -15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.819 7.303 -16.685 1.00 0.00 H new