USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot 161:sc= -0.417! USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -6.24! C(o=-12!,f=-6.7!) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 TYR OH : rot -33:sc= 0.288 USER MOD Set 3.1: A 18 SER OG : rot -150:sc= 0 USER MOD Set 3.2: A 32 HIS : no HE2:sc= -12.9! C(o=-14!,f=-15!) USER MOD Set 3.3: A 36 HIS :FLIP no HD1:sc= -1.26 F(o=-16!,f=-14) USER MOD Set 4.1: A 6 TYR OH : rot -110:sc= 0.447 USER MOD Set 4.2: A 14 GLN : amide:sc= -1.6 K(o=0.37,f=-1.3!) USER MOD Set 4.3: A 37 TYR OH : rot -112:sc= 1.53 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0.0398 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ 174:sc= -0.116 (180deg=-0.203) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.6) USER MOD Single : A 17 SER OG : rot 64:sc= -5.63! USER MOD Single : A 20 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.4!) USER MOD Single : A 23 GLN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -75:sc= 0.349 USER MOD Single : A 34 THR OG1 : rot 46:sc= -5.24! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 0.159 (180deg=-2.11!) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.15 F(o=-3.9!,f=-2.2) USER MOD Single : A 49 ASN : amide:sc= -0.673 K(o=-0.67,f=-2.6!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.0246 F(o=-1.4,f=-0.025) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -6.22! C(o=-6.2!,f=-8.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.874 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.311) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.36) USER MOD Single : A 97 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.6!) USER MOD Single : A 101 SER OG : rot 84:sc= 0.936 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.819 13.602 -3.428 1.00 0.00 N ATOM 2 CA GLU A 1 13.698 13.158 -2.310 1.00 0.00 C ATOM 3 C GLU A 1 13.846 11.636 -2.352 1.00 0.00 C ATOM 4 O GLU A 1 14.265 11.016 -1.395 1.00 0.00 O ATOM 5 CB GLU A 1 13.074 13.573 -0.976 1.00 0.00 C ATOM 6 CG GLU A 1 14.154 13.603 0.106 1.00 0.00 C ATOM 7 CD GLU A 1 13.580 14.220 1.383 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.540 15.437 1.463 1.00 0.00 O ATOM 9 OE2 GLU A 1 13.190 13.465 2.258 1.00 0.00 O ATOM 0 H1 GLU A 1 12.635 14.622 -3.341 1.00 0.00 H new ATOM 0 H2 GLU A 1 13.289 13.411 -4.336 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.918 13.083 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 1 14.679 13.622 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 1 12.611 14.555 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.285 12.874 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.511 12.593 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 1 15.011 14.182 -0.237 1.00 0.00 H new ATOM 18 N SER A 2 13.506 11.029 -3.457 1.00 0.00 N ATOM 19 CA SER A 2 13.626 9.548 -3.561 1.00 0.00 C ATOM 20 C SER A 2 13.717 9.149 -5.036 1.00 0.00 C ATOM 21 O SER A 2 14.286 9.857 -5.844 1.00 0.00 O ATOM 22 CB SER A 2 12.399 8.894 -2.926 1.00 0.00 C ATOM 23 OG SER A 2 12.731 7.572 -2.521 1.00 0.00 O ATOM 0 H SER A 2 13.150 11.495 -4.292 1.00 0.00 H new ATOM 0 HA SER A 2 14.524 9.215 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.065 9.477 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.574 8.873 -3.638 1.00 0.00 H new ATOM 0 HG SER A 2 11.948 7.149 -2.112 1.00 0.00 H new ATOM 29 N LYS A 3 13.163 8.024 -5.397 1.00 0.00 N ATOM 30 CA LYS A 3 13.225 7.589 -6.820 1.00 0.00 C ATOM 31 C LYS A 3 11.830 7.154 -7.281 1.00 0.00 C ATOM 32 O LYS A 3 11.371 6.095 -6.910 1.00 0.00 O ATOM 33 CB LYS A 3 14.183 6.403 -6.962 1.00 0.00 C ATOM 34 CG LYS A 3 15.423 6.621 -6.094 1.00 0.00 C ATOM 35 CD LYS A 3 16.550 7.208 -6.947 1.00 0.00 C ATOM 36 CE LYS A 3 17.773 6.290 -6.877 1.00 0.00 C ATOM 37 NZ LYS A 3 18.934 6.955 -7.533 1.00 0.00 N ATOM 0 H LYS A 3 12.671 7.389 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 3 13.579 8.420 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.680 5.482 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.476 6.285 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.188 7.295 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.741 5.676 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.221 7.315 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.809 8.205 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.011 6.062 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.558 5.342 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.764 6.331 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.705 7.151 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.144 7.849 -7.044 1.00 0.00 H new ATOM 51 N PRO A 4 11.194 7.990 -8.066 1.00 0.00 N ATOM 52 CA PRO A 4 9.848 7.725 -8.615 1.00 0.00 C ATOM 53 C PRO A 4 9.899 7.146 -10.053 1.00 0.00 C ATOM 54 O PRO A 4 9.503 7.831 -10.976 1.00 0.00 O ATOM 55 CB PRO A 4 9.254 9.132 -8.699 1.00 0.00 C ATOM 56 CG PRO A 4 10.459 10.111 -8.802 1.00 0.00 C ATOM 57 CD PRO A 4 11.722 9.313 -8.423 1.00 0.00 C ATOM 0 HA PRO A 4 9.297 7.005 -8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.601 9.227 -9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.649 9.352 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.545 10.512 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.324 10.960 -8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.425 9.254 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.252 9.772 -7.589 1.00 0.00 H new ATOM 65 N PRO A 5 10.352 5.923 -10.229 1.00 0.00 N ATOM 66 CA PRO A 5 10.403 5.304 -11.569 1.00 0.00 C ATOM 67 C PRO A 5 8.995 4.934 -12.043 1.00 0.00 C ATOM 68 O PRO A 5 8.706 4.942 -13.223 1.00 0.00 O ATOM 69 CB PRO A 5 11.248 4.046 -11.363 1.00 0.00 C ATOM 70 CG PRO A 5 11.157 3.717 -9.860 1.00 0.00 C ATOM 71 CD PRO A 5 10.849 5.047 -9.152 1.00 0.00 C ATOM 0 HA PRO A 5 10.818 5.970 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.872 3.220 -11.967 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.282 4.216 -11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.375 2.983 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.092 3.289 -9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.103 4.917 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.739 5.462 -8.680 1.00 0.00 H new ATOM 79 N TYR A 6 8.118 4.601 -11.135 1.00 0.00 N ATOM 80 CA TYR A 6 6.736 4.222 -11.543 1.00 0.00 C ATOM 81 C TYR A 6 5.720 5.131 -10.873 1.00 0.00 C ATOM 82 O TYR A 6 5.738 5.328 -9.675 1.00 0.00 O ATOM 83 CB TYR A 6 6.460 2.778 -11.138 1.00 0.00 C ATOM 84 CG TYR A 6 7.596 1.916 -11.610 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.555 1.335 -12.881 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.695 1.707 -10.776 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.622 0.540 -13.319 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.763 0.913 -11.210 1.00 0.00 C ATOM 89 CZ TYR A 6 9.726 0.329 -12.481 1.00 0.00 C ATOM 90 OH TYR A 6 10.778 -0.455 -12.910 1.00 0.00 O ATOM 0 H TYR A 6 8.298 4.575 -10.131 1.00 0.00 H new ATOM 0 HA TYR A 6 6.650 4.326 -12.625 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.354 2.703 -10.056 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.521 2.437 -11.574 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.703 1.499 -13.524 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.722 2.158 -9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.594 0.090 -14.301 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.614 0.751 -10.565 1.00 0.00 H new ATOM 0 HH TYR A 6 10.794 -1.290 -12.398 1.00 0.00 H new ATOM 100 N SER A 7 4.815 5.667 -11.637 1.00 0.00 N ATOM 101 CA SER A 7 3.778 6.541 -11.039 1.00 0.00 C ATOM 102 C SER A 7 3.183 5.805 -9.844 1.00 0.00 C ATOM 103 O SER A 7 3.221 4.593 -9.779 1.00 0.00 O ATOM 104 CB SER A 7 2.686 6.810 -12.073 1.00 0.00 C ATOM 105 OG SER A 7 2.997 7.998 -12.789 1.00 0.00 O ATOM 0 H SER A 7 4.749 5.538 -12.647 1.00 0.00 H new ATOM 0 HA SER A 7 4.208 7.492 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.606 5.968 -12.761 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.719 6.912 -11.579 1.00 0.00 H new ATOM 0 HG SER A 7 2.298 8.171 -13.454 1.00 0.00 H new ATOM 111 N TYR A 8 2.642 6.506 -8.894 1.00 0.00 N ATOM 112 CA TYR A 8 2.064 5.803 -7.718 1.00 0.00 C ATOM 113 C TYR A 8 0.684 5.249 -8.075 1.00 0.00 C ATOM 114 O TYR A 8 -0.008 4.695 -7.244 1.00 0.00 O ATOM 115 CB TYR A 8 1.974 6.770 -6.541 1.00 0.00 C ATOM 116 CG TYR A 8 3.362 7.273 -6.230 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.447 6.390 -6.287 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.568 8.615 -5.895 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.739 6.847 -6.009 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.861 9.074 -5.615 1.00 0.00 C ATOM 121 CZ TYR A 8 5.945 8.190 -5.672 1.00 0.00 C ATOM 122 OH TYR A 8 7.220 8.644 -5.398 1.00 0.00 O ATOM 0 H TYR A 8 2.574 7.524 -8.878 1.00 0.00 H new ATOM 0 HA TYR A 8 2.706 4.969 -7.434 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.315 7.603 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.548 6.270 -5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.286 5.354 -6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.731 9.296 -5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.576 6.166 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.022 10.110 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 8 7.188 9.600 -5.183 1.00 0.00 H new ATOM 132 N ALA A 9 0.292 5.369 -9.316 1.00 0.00 N ATOM 133 CA ALA A 9 -1.022 4.821 -9.742 1.00 0.00 C ATOM 134 C ALA A 9 -0.762 3.577 -10.596 1.00 0.00 C ATOM 135 O ALA A 9 -1.489 2.607 -10.541 1.00 0.00 O ATOM 136 CB ALA A 9 -1.776 5.867 -10.565 1.00 0.00 C ATOM 0 H ALA A 9 0.830 5.825 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.625 4.563 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.739 5.461 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.936 6.759 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.191 6.127 -11.447 1.00 0.00 H new ATOM 142 N GLN A 10 0.298 3.592 -11.359 1.00 0.00 N ATOM 143 CA GLN A 10 0.649 2.409 -12.194 1.00 0.00 C ATOM 144 C GLN A 10 1.564 1.525 -11.356 1.00 0.00 C ATOM 145 O GLN A 10 1.550 0.314 -11.447 1.00 0.00 O ATOM 146 CB GLN A 10 1.384 2.863 -13.458 1.00 0.00 C ATOM 147 CG GLN A 10 2.776 3.374 -13.083 1.00 0.00 C ATOM 148 CD GLN A 10 3.507 3.840 -14.343 1.00 0.00 C ATOM 149 OE1 GLN A 10 2.929 4.492 -15.190 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.765 3.531 -14.502 1.00 0.00 N ATOM 0 H GLN A 10 0.940 4.380 -11.439 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.248 1.868 -12.496 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.466 2.034 -14.161 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.819 3.650 -13.958 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.693 4.197 -12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.344 2.584 -12.591 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.250 2.984 -13.791 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.264 3.837 -15.338 1.00 0.00 H new ATOM 159 N LEU A 11 2.342 2.146 -10.513 1.00 0.00 N ATOM 160 CA LEU A 11 3.253 1.390 -9.624 1.00 0.00 C ATOM 161 C LEU A 11 2.404 0.411 -8.819 1.00 0.00 C ATOM 162 O LEU A 11 2.808 -0.694 -8.519 1.00 0.00 O ATOM 163 CB LEU A 11 3.942 2.389 -8.695 1.00 0.00 C ATOM 164 CG LEU A 11 4.666 1.663 -7.570 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.135 1.514 -7.941 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.551 2.492 -6.295 1.00 0.00 C ATOM 0 H LEU A 11 2.382 3.159 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 11 4.010 0.842 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.652 2.992 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.204 3.074 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 11 4.225 0.679 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.662 0.995 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.221 0.940 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.576 2.500 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.066 1.982 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.005 3.470 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.500 2.618 -6.036 1.00 0.00 H new ATOM 178 N ILE A 12 1.213 0.818 -8.494 1.00 0.00 N ATOM 179 CA ILE A 12 0.291 -0.071 -7.734 1.00 0.00 C ATOM 180 C ILE A 12 -0.139 -1.211 -8.650 1.00 0.00 C ATOM 181 O ILE A 12 -0.138 -2.368 -8.279 1.00 0.00 O ATOM 182 CB ILE A 12 -0.960 0.706 -7.335 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.580 2.103 -6.846 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.693 -0.047 -6.231 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.436 1.991 -5.712 1.00 0.00 C ATOM 0 H ILE A 12 0.833 1.736 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 12 0.797 -0.446 -6.844 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.612 0.805 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.161 2.685 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.468 2.632 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.587 0.507 -5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.978 -1.035 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.039 -0.152 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.705 2.989 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.001 1.425 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.328 1.479 -6.072 1.00 0.00 H new ATOM 197 N VAL A 13 -0.515 -0.870 -9.849 1.00 0.00 N ATOM 198 CA VAL A 13 -0.965 -1.898 -10.823 1.00 0.00 C ATOM 199 C VAL A 13 0.080 -3.007 -10.898 1.00 0.00 C ATOM 200 O VAL A 13 -0.220 -4.162 -10.699 1.00 0.00 O ATOM 201 CB VAL A 13 -1.115 -1.247 -12.198 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.741 -2.244 -13.175 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.012 -0.012 -12.081 1.00 0.00 C ATOM 0 H VAL A 13 -0.530 0.088 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.920 -2.318 -10.508 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.133 -0.951 -12.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.846 -1.777 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.101 -3.122 -13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.723 -2.545 -12.809 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.120 0.453 -13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.993 -0.309 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.563 0.700 -11.389 1.00 0.00 H new ATOM 213 N GLN A 14 1.308 -2.670 -11.162 1.00 0.00 N ATOM 214 CA GLN A 14 2.354 -3.723 -11.221 1.00 0.00 C ATOM 215 C GLN A 14 2.364 -4.463 -9.885 1.00 0.00 C ATOM 216 O GLN A 14 2.735 -5.617 -9.802 1.00 0.00 O ATOM 217 CB GLN A 14 3.716 -3.075 -11.461 1.00 0.00 C ATOM 218 CG GLN A 14 3.940 -1.978 -10.424 1.00 0.00 C ATOM 219 CD GLN A 14 5.361 -1.437 -10.555 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.086 -1.358 -9.582 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.794 -1.058 -11.725 1.00 0.00 N ATOM 0 H GLN A 14 1.631 -1.719 -11.338 1.00 0.00 H new ATOM 0 HA GLN A 14 2.146 -4.419 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.505 -3.824 -11.392 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.761 -2.656 -12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.218 -1.174 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.781 -2.373 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.185 -1.125 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.742 -0.695 -11.825 1.00 0.00 H new ATOM 230 N ALA A 15 1.944 -3.804 -8.835 1.00 0.00 N ATOM 231 CA ALA A 15 1.911 -4.467 -7.502 1.00 0.00 C ATOM 232 C ALA A 15 0.813 -5.531 -7.503 1.00 0.00 C ATOM 233 O ALA A 15 1.081 -6.712 -7.400 1.00 0.00 O ATOM 234 CB ALA A 15 1.624 -3.432 -6.409 1.00 0.00 C ATOM 0 H ALA A 15 1.623 -2.836 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 15 2.877 -4.931 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.602 -3.926 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.406 -2.673 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.660 -2.960 -6.599 1.00 0.00 H new ATOM 240 N ILE A 16 -0.427 -5.127 -7.621 1.00 0.00 N ATOM 241 CA ILE A 16 -1.532 -6.135 -7.628 1.00 0.00 C ATOM 242 C ILE A 16 -1.525 -6.905 -8.945 1.00 0.00 C ATOM 243 O ILE A 16 -1.877 -8.068 -8.996 1.00 0.00 O ATOM 244 CB ILE A 16 -2.899 -5.467 -7.455 1.00 0.00 C ATOM 245 CG1 ILE A 16 -3.038 -4.233 -8.351 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.077 -5.045 -5.997 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.169 -4.642 -9.819 1.00 0.00 C ATOM 0 H ILE A 16 -0.720 -4.154 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.365 -6.814 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.665 -6.188 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.912 -3.656 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.170 -3.586 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.050 -4.569 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.017 -5.923 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.291 -4.341 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.267 -3.750 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.282 -5.199 -10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.052 -5.269 -9.945 1.00 0.00 H new ATOM 259 N SER A 17 -1.121 -6.278 -10.009 1.00 0.00 N ATOM 260 CA SER A 17 -1.087 -6.986 -11.317 1.00 0.00 C ATOM 261 C SER A 17 -0.228 -8.234 -11.158 1.00 0.00 C ATOM 262 O SER A 17 -0.312 -9.167 -11.931 1.00 0.00 O ATOM 263 CB SER A 17 -0.484 -6.074 -12.385 1.00 0.00 C ATOM 264 OG SER A 17 -1.382 -5.002 -12.646 1.00 0.00 O ATOM 0 H SER A 17 -0.812 -5.306 -10.032 1.00 0.00 H new ATOM 0 HA SER A 17 -2.096 -7.259 -11.624 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.477 -5.685 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.297 -6.638 -13.299 1.00 0.00 H new ATOM 0 HG SER A 17 -1.486 -4.458 -11.837 1.00 0.00 H new ATOM 270 N SER A 18 0.592 -8.256 -10.144 1.00 0.00 N ATOM 271 CA SER A 18 1.454 -9.443 -9.908 1.00 0.00 C ATOM 272 C SER A 18 0.934 -10.198 -8.686 1.00 0.00 C ATOM 273 O SER A 18 1.350 -11.304 -8.407 1.00 0.00 O ATOM 274 CB SER A 18 2.893 -8.991 -9.660 1.00 0.00 C ATOM 275 OG SER A 18 3.622 -9.067 -10.878 1.00 0.00 O ATOM 0 H SER A 18 0.701 -7.500 -9.468 1.00 0.00 H new ATOM 0 HA SER A 18 1.431 -10.095 -10.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.906 -7.970 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.360 -9.621 -8.903 1.00 0.00 H new ATOM 0 HG SER A 18 4.565 -9.253 -10.684 1.00 0.00 H new ATOM 281 N ALA A 19 0.020 -9.612 -7.953 1.00 0.00 N ATOM 282 CA ALA A 19 -0.522 -10.311 -6.755 1.00 0.00 C ATOM 283 C ALA A 19 -1.179 -11.620 -7.194 1.00 0.00 C ATOM 284 O ALA A 19 -1.372 -11.864 -8.368 1.00 0.00 O ATOM 285 CB ALA A 19 -1.564 -9.423 -6.071 1.00 0.00 C ATOM 0 H ALA A 19 -0.370 -8.687 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 19 0.288 -10.521 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.960 -9.936 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.099 -8.486 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.377 -9.214 -6.767 1.00 0.00 H new ATOM 291 N GLN A 20 -1.523 -12.467 -6.261 1.00 0.00 N ATOM 292 CA GLN A 20 -2.168 -13.758 -6.632 1.00 0.00 C ATOM 293 C GLN A 20 -3.234 -13.494 -7.704 1.00 0.00 C ATOM 294 O GLN A 20 -3.018 -13.736 -8.874 1.00 0.00 O ATOM 295 CB GLN A 20 -2.798 -14.385 -5.380 1.00 0.00 C ATOM 296 CG GLN A 20 -3.874 -15.398 -5.781 1.00 0.00 C ATOM 297 CD GLN A 20 -3.763 -16.635 -4.887 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.704 -16.932 -4.370 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.819 -17.374 -4.681 1.00 0.00 N ATOM 0 H GLN A 20 -1.385 -12.321 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.429 -14.451 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.029 -14.877 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.236 -13.606 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.864 -14.952 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.753 -15.679 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.708 -17.125 -5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.755 -18.200 -4.086 1.00 0.00 H new ATOM 308 N ASP A 21 -4.376 -12.987 -7.324 1.00 0.00 N ATOM 309 CA ASP A 21 -5.430 -12.699 -8.334 1.00 0.00 C ATOM 310 C ASP A 21 -5.257 -11.265 -8.837 1.00 0.00 C ATOM 311 O ASP A 21 -4.881 -11.031 -9.969 1.00 0.00 O ATOM 312 CB ASP A 21 -6.812 -12.851 -7.693 1.00 0.00 C ATOM 313 CG ASP A 21 -6.970 -14.272 -7.145 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.199 -15.129 -7.542 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.862 -14.478 -6.339 1.00 0.00 O ATOM 0 H ASP A 21 -4.622 -12.761 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.342 -13.397 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.933 -12.125 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.590 -12.645 -8.428 1.00 0.00 H new ATOM 320 N ARG A 22 -5.524 -10.304 -7.997 1.00 0.00 N ATOM 321 CA ARG A 22 -5.375 -8.880 -8.409 1.00 0.00 C ATOM 322 C ARG A 22 -5.760 -7.984 -7.233 1.00 0.00 C ATOM 323 O ARG A 22 -6.472 -7.011 -7.387 1.00 0.00 O ATOM 324 CB ARG A 22 -6.297 -8.590 -9.595 1.00 0.00 C ATOM 325 CG ARG A 22 -7.672 -9.205 -9.333 1.00 0.00 C ATOM 326 CD ARG A 22 -7.902 -10.372 -10.293 1.00 0.00 C ATOM 327 NE ARG A 22 -9.071 -10.078 -11.169 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.657 -11.044 -11.822 1.00 0.00 C ATOM 329 NH1 ARG A 22 -9.240 -11.371 -13.014 1.00 0.00 N ATOM 330 NH2 ARG A 22 -10.658 -11.683 -11.283 1.00 0.00 N ATOM 0 H ARG A 22 -5.841 -10.445 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.343 -8.686 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.390 -7.514 -9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.871 -9.002 -10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.736 -9.551 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.450 -8.453 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.012 -10.537 -10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.078 -11.289 -9.731 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.413 -9.121 -11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.456 -10.872 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.697 -12.126 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.983 -11.428 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.116 -12.438 -11.794 1.00 0.00 H new ATOM 344 N GLN A 23 -5.305 -8.312 -6.055 1.00 0.00 N ATOM 345 CA GLN A 23 -5.657 -7.487 -4.867 1.00 0.00 C ATOM 346 C GLN A 23 -4.444 -7.359 -3.945 1.00 0.00 C ATOM 347 O GLN A 23 -3.630 -8.254 -3.844 1.00 0.00 O ATOM 348 CB GLN A 23 -6.791 -8.170 -4.104 1.00 0.00 C ATOM 349 CG GLN A 23 -6.336 -9.564 -3.670 1.00 0.00 C ATOM 350 CD GLN A 23 -7.379 -10.171 -2.730 1.00 0.00 C ATOM 351 OE1 GLN A 23 -7.074 -11.059 -1.959 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.606 -9.727 -2.762 1.00 0.00 N ATOM 0 H GLN A 23 -4.705 -9.115 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.968 -6.495 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.068 -7.577 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.677 -8.243 -4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.202 -10.203 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.370 -9.503 -3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.862 -8.981 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.309 -10.126 -2.140 1.00 0.00 H new ATOM 361 N LEU A 24 -4.325 -6.254 -3.263 1.00 0.00 N ATOM 362 CA LEU A 24 -3.181 -6.066 -2.337 1.00 0.00 C ATOM 363 C LEU A 24 -3.649 -5.249 -1.136 1.00 0.00 C ATOM 364 O LEU A 24 -4.642 -4.554 -1.200 1.00 0.00 O ATOM 365 CB LEU A 24 -2.063 -5.307 -3.050 1.00 0.00 C ATOM 366 CG LEU A 24 -1.122 -6.303 -3.732 1.00 0.00 C ATOM 367 CD1 LEU A 24 0.055 -5.550 -4.355 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.599 -7.297 -2.694 1.00 0.00 C ATOM 0 H LEU A 24 -4.976 -5.470 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.810 -7.038 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.485 -4.626 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.509 -4.698 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.662 -6.839 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.725 -6.260 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.317 -4.839 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.597 -5.014 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.072 -8.008 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.058 -6.759 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.437 -7.833 -2.249 1.00 0.00 H new ATOM 380 N THR A 25 -2.939 -5.313 -0.047 1.00 0.00 N ATOM 381 CA THR A 25 -3.339 -4.522 1.150 1.00 0.00 C ATOM 382 C THR A 25 -2.462 -3.276 1.215 1.00 0.00 C ATOM 383 O THR A 25 -1.500 -3.154 0.484 1.00 0.00 O ATOM 384 CB THR A 25 -3.129 -5.359 2.417 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.818 -5.134 2.917 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.306 -6.844 2.094 1.00 0.00 C ATOM 0 H THR A 25 -2.098 -5.879 0.067 1.00 0.00 H new ATOM 0 HA THR A 25 -4.390 -4.243 1.080 1.00 0.00 H new ATOM 0 HB THR A 25 -3.863 -5.067 3.168 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.681 -5.667 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.155 -7.434 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.312 -7.016 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.576 -7.142 1.341 1.00 0.00 H new ATOM 394 N LEU A 26 -2.762 -2.347 2.080 1.00 0.00 N ATOM 395 CA LEU A 26 -1.902 -1.133 2.155 1.00 0.00 C ATOM 396 C LEU A 26 -0.449 -1.591 2.270 1.00 0.00 C ATOM 397 O LEU A 26 0.431 -1.073 1.614 1.00 0.00 O ATOM 398 CB LEU A 26 -2.279 -0.283 3.373 1.00 0.00 C ATOM 399 CG LEU A 26 -3.207 0.848 2.927 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.353 0.995 3.927 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.418 2.158 2.857 1.00 0.00 C ATOM 0 H LEU A 26 -3.550 -2.373 2.727 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.041 -0.523 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.772 -0.900 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.382 0.127 3.837 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.614 0.616 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.013 1.801 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.916 0.063 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.949 1.226 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.079 2.964 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.010 2.390 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.603 2.054 2.141 1.00 0.00 H new ATOM 413 N SER A 27 -0.197 -2.582 3.083 1.00 0.00 N ATOM 414 CA SER A 27 1.192 -3.100 3.224 1.00 0.00 C ATOM 415 C SER A 27 1.410 -4.205 2.187 1.00 0.00 C ATOM 416 O SER A 27 2.354 -4.966 2.258 1.00 0.00 O ATOM 417 CB SER A 27 1.387 -3.671 4.629 1.00 0.00 C ATOM 418 OG SER A 27 2.714 -3.408 5.063 1.00 0.00 O ATOM 0 H SER A 27 -0.896 -3.055 3.656 1.00 0.00 H new ATOM 0 HA SER A 27 1.908 -2.293 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.671 -3.223 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.199 -4.745 4.627 1.00 0.00 H new ATOM 0 HG SER A 27 2.842 -3.772 5.964 1.00 0.00 H new ATOM 424 N GLY A 28 0.548 -4.277 1.210 1.00 0.00 N ATOM 425 CA GLY A 28 0.697 -5.301 0.143 1.00 0.00 C ATOM 426 C GLY A 28 1.314 -4.598 -1.050 1.00 0.00 C ATOM 427 O GLY A 28 2.319 -5.013 -1.594 1.00 0.00 O ATOM 0 H GLY A 28 -0.260 -3.663 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.331 -6.121 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.270 -5.731 -0.118 1.00 0.00 H new ATOM 431 N ILE A 29 0.727 -3.499 -1.427 1.00 0.00 N ATOM 432 CA ILE A 29 1.275 -2.711 -2.549 1.00 0.00 C ATOM 433 C ILE A 29 2.717 -2.381 -2.203 1.00 0.00 C ATOM 434 O ILE A 29 3.566 -2.222 -3.056 1.00 0.00 O ATOM 435 CB ILE A 29 0.443 -1.442 -2.711 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.834 -0.732 -4.005 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.656 -0.503 -1.528 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.233 -0.141 -3.853 1.00 0.00 C ATOM 0 H ILE A 29 -0.115 -3.114 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 29 1.240 -3.261 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.610 -1.721 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.812 -1.433 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.116 0.056 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.054 0.395 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.358 -1.004 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.709 -0.228 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.516 0.367 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.239 0.573 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.945 -0.940 -3.646 1.00 0.00 H new ATOM 450 N TYR A 30 2.994 -2.311 -0.935 1.00 0.00 N ATOM 451 CA TYR A 30 4.383 -2.026 -0.485 1.00 0.00 C ATOM 452 C TYR A 30 5.167 -3.338 -0.422 1.00 0.00 C ATOM 453 O TYR A 30 6.165 -3.512 -1.091 1.00 0.00 O ATOM 454 CB TYR A 30 4.370 -1.398 0.911 1.00 0.00 C ATOM 455 CG TYR A 30 3.351 -0.291 0.960 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.056 0.436 -0.193 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.700 0.006 2.161 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.113 1.462 -0.146 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.755 1.032 2.206 1.00 0.00 C ATOM 460 CZ TYR A 30 1.459 1.762 1.052 1.00 0.00 C ATOM 461 OH TYR A 30 0.527 2.777 1.096 1.00 0.00 O ATOM 0 H TYR A 30 2.315 -2.440 -0.185 1.00 0.00 H new ATOM 0 HA TYR A 30 4.848 -1.335 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.135 -2.155 1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.358 -1.007 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.557 0.205 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.928 -0.558 3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.887 2.027 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.252 1.262 3.134 1.00 0.00 H new ATOM 0 HH TYR A 30 0.985 3.643 1.076 1.00 0.00 H new ATOM 471 N ALA A 31 4.720 -4.258 0.389 1.00 0.00 N ATOM 472 CA ALA A 31 5.433 -5.560 0.513 1.00 0.00 C ATOM 473 C ALA A 31 5.533 -6.230 -0.858 1.00 0.00 C ATOM 474 O ALA A 31 6.418 -7.027 -1.104 1.00 0.00 O ATOM 475 CB ALA A 31 4.667 -6.473 1.472 1.00 0.00 C ATOM 0 H ALA A 31 3.889 -4.163 0.973 1.00 0.00 H new ATOM 0 HA ALA A 31 6.436 -5.383 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.189 -7.426 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.603 -6.000 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.662 -6.645 1.086 1.00 0.00 H new ATOM 481 N HIS A 32 4.639 -5.919 -1.757 1.00 0.00 N ATOM 482 CA HIS A 32 4.699 -6.546 -3.104 1.00 0.00 C ATOM 483 C HIS A 32 5.807 -5.881 -3.922 1.00 0.00 C ATOM 484 O HIS A 32 6.787 -6.503 -4.282 1.00 0.00 O ATOM 485 CB HIS A 32 3.356 -6.356 -3.809 1.00 0.00 C ATOM 486 CG HIS A 32 3.412 -7.003 -5.162 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.708 -8.158 -5.461 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.093 -6.671 -6.306 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.978 -8.477 -6.740 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.817 -7.603 -7.302 1.00 0.00 N ATOM 0 H HIS A 32 3.873 -5.260 -1.616 1.00 0.00 H new ATOM 0 HA HIS A 32 4.910 -7.611 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.555 -6.796 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.132 -5.294 -3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.097 -8.673 -4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.744 -5.816 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.566 -9.335 -7.250 1.00 0.00 H new ATOM 498 N ILE A 33 5.658 -4.620 -4.212 1.00 0.00 N ATOM 499 CA ILE A 33 6.697 -3.900 -5.001 1.00 0.00 C ATOM 500 C ILE A 33 8.054 -4.059 -4.322 1.00 0.00 C ATOM 501 O ILE A 33 9.082 -4.138 -4.965 1.00 0.00 O ATOM 502 CB ILE A 33 6.325 -2.419 -5.062 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.134 -1.727 -6.168 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.602 -1.749 -3.713 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.557 -1.432 -5.682 1.00 0.00 C ATOM 0 H ILE A 33 4.857 -4.053 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 33 6.752 -4.312 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 33 5.262 -2.329 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.169 -2.362 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.643 -0.799 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.333 -0.694 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.009 -2.234 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.661 -1.841 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.119 -0.941 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.516 -0.779 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.050 -2.366 -5.412 1.00 0.00 H new ATOM 517 N THR A 34 8.059 -4.096 -3.023 1.00 0.00 N ATOM 518 CA THR A 34 9.346 -4.239 -2.284 1.00 0.00 C ATOM 519 C THR A 34 10.057 -5.513 -2.743 1.00 0.00 C ATOM 520 O THR A 34 11.271 -5.572 -2.799 1.00 0.00 O ATOM 521 CB THR A 34 9.068 -4.323 -0.781 1.00 0.00 C ATOM 522 OG1 THR A 34 7.889 -5.082 -0.563 1.00 0.00 O ATOM 523 CG2 THR A 34 8.883 -2.914 -0.214 1.00 0.00 C ATOM 0 H THR A 34 7.227 -4.033 -2.436 1.00 0.00 H new ATOM 0 HA THR A 34 9.979 -3.375 -2.487 1.00 0.00 H new ATOM 0 HB THR A 34 9.909 -4.804 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.919 -5.897 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.685 -2.976 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.789 -2.332 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.043 -2.429 -0.711 1.00 0.00 H new ATOM 531 N LYS A 35 9.317 -6.533 -3.083 1.00 0.00 N ATOM 532 CA LYS A 35 9.962 -7.792 -3.549 1.00 0.00 C ATOM 533 C LYS A 35 10.539 -7.569 -4.948 1.00 0.00 C ATOM 534 O LYS A 35 11.524 -8.170 -5.328 1.00 0.00 O ATOM 535 CB LYS A 35 8.926 -8.917 -3.595 1.00 0.00 C ATOM 536 CG LYS A 35 9.360 -10.048 -2.660 1.00 0.00 C ATOM 537 CD LYS A 35 9.093 -11.398 -3.330 1.00 0.00 C ATOM 538 CE LYS A 35 10.084 -12.436 -2.797 1.00 0.00 C ATOM 539 NZ LYS A 35 10.495 -13.346 -3.903 1.00 0.00 N ATOM 0 H LYS A 35 8.297 -6.549 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 35 10.760 -8.071 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.949 -8.538 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.825 -9.291 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.420 -9.951 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.815 -9.984 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.071 -11.719 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.193 -11.306 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.958 -11.938 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.627 -13.010 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.168 -14.051 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.657 -13.831 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.947 -12.792 -4.658 1.00 0.00 H new ATOM 553 N HIS A 36 9.935 -6.703 -5.718 1.00 0.00 N ATOM 554 CA HIS A 36 10.452 -6.436 -7.090 1.00 0.00 C ATOM 555 C HIS A 36 11.585 -5.408 -7.010 1.00 0.00 C ATOM 556 O HIS A 36 12.748 -5.747 -7.091 1.00 0.00 O ATOM 557 CB HIS A 36 9.322 -5.887 -7.964 1.00 0.00 C ATOM 558 CG HIS A 36 8.188 -6.876 -8.000 1.00 0.00 C ATOM 559 ND1 HIS A 36 7.840 -7.904 -7.159 1.00 0.00 N flip ATOM 560 CD2 HIS A 36 7.239 -6.875 -9.011 1.00 0.00 C flip ATOM 561 CE1 HIS A 36 6.694 -8.533 -7.638 1.00 0.00 C flip ATOM 562 NE2 HIS A 36 6.375 -7.874 -8.756 1.00 0.00 N flip ATOM 0 H HIS A 36 9.106 -6.170 -5.455 1.00 0.00 H new ATOM 0 HA HIS A 36 10.828 -7.361 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.974 -4.933 -7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.687 -5.700 -8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.201 -6.196 -9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.175 -9.373 -7.200 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.574 -8.101 -9.345 1.00 0.00 H new ATOM 570 N TYR A 37 11.254 -4.157 -6.844 1.00 0.00 N ATOM 571 CA TYR A 37 12.314 -3.113 -6.751 1.00 0.00 C ATOM 572 C TYR A 37 12.837 -3.068 -5.306 1.00 0.00 C ATOM 573 O TYR A 37 12.073 -2.854 -4.386 1.00 0.00 O ATOM 574 CB TYR A 37 11.722 -1.755 -7.138 1.00 0.00 C ATOM 575 CG TYR A 37 10.885 -1.915 -8.384 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.262 -2.836 -9.367 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.729 -1.145 -8.553 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.484 -2.988 -10.521 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.950 -1.296 -9.706 1.00 0.00 C ATOM 580 CZ TYR A 37 9.328 -2.218 -10.690 1.00 0.00 C ATOM 581 OH TYR A 37 8.560 -2.366 -11.827 1.00 0.00 O ATOM 0 H TYR A 37 10.297 -3.813 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 37 13.135 -3.347 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.112 -1.365 -6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.520 -1.033 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.154 -3.430 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.438 -0.434 -7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.776 -3.699 -11.280 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.058 -0.702 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 37 8.620 -1.553 -12.370 1.00 0.00 H new ATOM 591 N PRO A 38 14.120 -3.293 -5.144 1.00 0.00 N ATOM 592 CA PRO A 38 14.762 -3.307 -3.816 1.00 0.00 C ATOM 593 C PRO A 38 14.986 -1.887 -3.283 1.00 0.00 C ATOM 594 O PRO A 38 15.347 -1.700 -2.138 1.00 0.00 O ATOM 595 CB PRO A 38 16.098 -4.010 -4.071 1.00 0.00 C ATOM 596 CG PRO A 38 16.395 -3.852 -5.580 1.00 0.00 C ATOM 597 CD PRO A 38 15.048 -3.551 -6.264 1.00 0.00 C ATOM 0 HA PRO A 38 14.151 -3.806 -3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.891 -3.565 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.041 -5.063 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.106 -3.044 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.841 -4.761 -5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.122 -2.688 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.714 -4.392 -6.872 1.00 0.00 H new ATOM 605 N TYR A 39 14.779 -0.885 -4.093 1.00 0.00 N ATOM 606 CA TYR A 39 14.991 0.508 -3.605 1.00 0.00 C ATOM 607 C TYR A 39 13.773 0.963 -2.797 1.00 0.00 C ATOM 608 O TYR A 39 13.890 1.719 -1.854 1.00 0.00 O ATOM 609 CB TYR A 39 15.188 1.452 -4.793 1.00 0.00 C ATOM 610 CG TYR A 39 15.494 2.838 -4.278 1.00 0.00 C ATOM 611 CD1 TYR A 39 14.456 3.658 -3.819 1.00 0.00 C ATOM 612 CD2 TYR A 39 16.815 3.301 -4.252 1.00 0.00 C ATOM 613 CE1 TYR A 39 14.738 4.941 -3.336 1.00 0.00 C ATOM 614 CE2 TYR A 39 17.098 4.585 -3.768 1.00 0.00 C ATOM 615 CZ TYR A 39 16.059 5.404 -3.311 1.00 0.00 C ATOM 616 OH TYR A 39 16.337 6.669 -2.834 1.00 0.00 O ATOM 0 H TYR A 39 14.475 -0.968 -5.063 1.00 0.00 H new ATOM 0 HA TYR A 39 15.879 0.530 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.003 1.097 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.291 1.470 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.437 3.300 -3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 39 17.616 2.668 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.937 5.573 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 39 18.117 4.942 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 39 17.302 6.833 -2.885 1.00 0.00 H new ATOM 626 N TYR A 40 12.603 0.513 -3.160 1.00 0.00 N ATOM 627 CA TYR A 40 11.385 0.930 -2.411 1.00 0.00 C ATOM 628 C TYR A 40 11.254 0.099 -1.134 1.00 0.00 C ATOM 629 O TYR A 40 10.282 -0.601 -0.934 1.00 0.00 O ATOM 630 CB TYR A 40 10.151 0.722 -3.291 1.00 0.00 C ATOM 631 CG TYR A 40 9.884 1.987 -4.071 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.900 2.553 -4.848 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.626 2.597 -4.011 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.658 3.729 -5.566 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.383 3.775 -4.728 1.00 0.00 C ATOM 636 CZ TYR A 40 9.400 4.340 -5.505 1.00 0.00 C ATOM 637 OH TYR A 40 9.164 5.502 -6.212 1.00 0.00 O ATOM 0 H TYR A 40 12.439 -0.123 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 40 11.467 1.984 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.311 -0.114 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.288 0.470 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.871 2.082 -4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.842 2.159 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.442 4.165 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.412 4.246 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 40 9.987 6.032 -6.255 1.00 0.00 H new ATOM 647 N ARG A 41 12.226 0.173 -0.266 1.00 0.00 N ATOM 648 CA ARG A 41 12.157 -0.608 1.000 1.00 0.00 C ATOM 649 C ARG A 41 12.660 0.256 2.157 1.00 0.00 C ATOM 650 O ARG A 41 11.916 0.608 3.051 1.00 0.00 O ATOM 651 CB ARG A 41 13.029 -1.858 0.878 1.00 0.00 C ATOM 652 CG ARG A 41 12.387 -3.005 1.659 1.00 0.00 C ATOM 653 CD ARG A 41 12.758 -2.888 3.138 1.00 0.00 C ATOM 654 NE ARG A 41 12.876 -4.251 3.727 1.00 0.00 N ATOM 655 CZ ARG A 41 11.807 -4.877 4.143 1.00 0.00 C ATOM 656 NH1 ARG A 41 11.084 -5.564 3.302 1.00 0.00 N ATOM 657 NH2 ARG A 41 11.467 -4.818 5.401 1.00 0.00 N ATOM 0 H ARG A 41 13.065 0.741 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 41 11.125 -0.905 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.141 -2.135 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.029 -1.656 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.304 -2.977 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.726 -3.962 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.700 -2.350 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.000 -2.314 3.670 1.00 0.00 H new ATOM 0 HE ARG A 41 13.791 -4.696 3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.353 -5.613 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.250 -6.052 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.035 -4.284 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.633 -5.306 5.727 1.00 0.00 H new ATOM 671 N THR A 42 13.917 0.604 2.148 1.00 0.00 N ATOM 672 CA THR A 42 14.465 1.448 3.246 1.00 0.00 C ATOM 673 C THR A 42 13.947 2.880 3.089 1.00 0.00 C ATOM 674 O THR A 42 13.674 3.562 4.057 1.00 0.00 O ATOM 675 CB THR A 42 15.994 1.445 3.176 1.00 0.00 C ATOM 676 OG1 THR A 42 16.522 2.015 4.365 1.00 0.00 O ATOM 677 CG2 THR A 42 16.453 2.262 1.968 1.00 0.00 C ATOM 0 H THR A 42 14.589 0.340 1.427 1.00 0.00 H new ATOM 0 HA THR A 42 14.147 1.049 4.209 1.00 0.00 H new ATOM 0 HB THR A 42 16.351 0.420 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.501 2.012 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.542 2.259 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.048 1.823 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.097 3.288 2.066 1.00 0.00 H new ATOM 685 N ALA A 43 13.809 3.340 1.875 1.00 0.00 N ATOM 686 CA ALA A 43 13.307 4.727 1.653 1.00 0.00 C ATOM 687 C ALA A 43 11.809 4.679 1.342 1.00 0.00 C ATOM 688 O ALA A 43 11.404 4.259 0.276 1.00 0.00 O ATOM 689 CB ALA A 43 14.049 5.351 0.468 1.00 0.00 C ATOM 0 H ALA A 43 14.022 2.815 1.027 1.00 0.00 H new ATOM 0 HA ALA A 43 13.477 5.325 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.684 6.365 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.117 5.380 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.874 4.753 -0.426 1.00 0.00 H new ATOM 695 N ASP A 44 10.978 5.104 2.257 1.00 0.00 N ATOM 696 CA ASP A 44 9.512 5.071 1.990 1.00 0.00 C ATOM 697 C ASP A 44 8.885 6.414 2.357 1.00 0.00 C ATOM 698 O ASP A 44 7.722 6.491 2.702 1.00 0.00 O ATOM 699 CB ASP A 44 8.864 3.960 2.818 1.00 0.00 C ATOM 700 CG ASP A 44 9.233 4.137 4.292 1.00 0.00 C ATOM 701 OD1 ASP A 44 10.297 4.674 4.556 1.00 0.00 O ATOM 702 OD2 ASP A 44 8.446 3.732 5.132 1.00 0.00 O ATOM 0 H ASP A 44 11.249 5.469 3.170 1.00 0.00 H new ATOM 0 HA ASP A 44 9.347 4.878 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.781 3.988 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.199 2.985 2.463 1.00 0.00 H new ATOM 707 N LYS A 45 9.638 7.472 2.281 1.00 0.00 N ATOM 708 CA LYS A 45 9.073 8.806 2.623 1.00 0.00 C ATOM 709 C LYS A 45 8.498 9.458 1.361 1.00 0.00 C ATOM 710 O LYS A 45 8.972 10.484 0.914 1.00 0.00 O ATOM 711 CB LYS A 45 10.177 9.695 3.201 1.00 0.00 C ATOM 712 CG LYS A 45 9.763 10.183 4.591 1.00 0.00 C ATOM 713 CD LYS A 45 8.720 11.293 4.450 1.00 0.00 C ATOM 714 CE LYS A 45 9.403 12.574 3.968 1.00 0.00 C ATOM 715 NZ LYS A 45 9.263 12.685 2.488 1.00 0.00 N ATOM 0 H LYS A 45 10.618 7.473 1.998 1.00 0.00 H new ATOM 0 HA LYS A 45 8.280 8.686 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.112 9.138 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.355 10.546 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.354 9.356 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.633 10.553 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.946 10.992 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.228 11.468 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.956 13.442 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.457 12.563 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.200 12.827 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.840 11.812 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.651 13.494 2.257 1.00 0.00 H new ATOM 729 N GLY A 46 7.482 8.875 0.781 1.00 0.00 N ATOM 730 CA GLY A 46 6.889 9.474 -0.449 1.00 0.00 C ATOM 731 C GLY A 46 5.721 8.612 -0.941 1.00 0.00 C ATOM 732 O GLY A 46 4.575 8.862 -0.624 1.00 0.00 O ATOM 0 H GLY A 46 7.040 8.015 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.542 10.486 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.648 9.552 -1.228 1.00 0.00 H new ATOM 736 N TRP A 47 6.004 7.608 -1.725 1.00 0.00 N ATOM 737 CA TRP A 47 4.913 6.737 -2.254 1.00 0.00 C ATOM 738 C TRP A 47 4.129 6.102 -1.103 1.00 0.00 C ATOM 739 O TRP A 47 3.008 5.667 -1.277 1.00 0.00 O ATOM 740 CB TRP A 47 5.514 5.633 -3.125 1.00 0.00 C ATOM 741 CG TRP A 47 6.280 4.665 -2.278 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.282 4.988 -1.424 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.134 3.218 -2.202 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.758 3.832 -0.839 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.087 2.717 -1.285 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.278 2.298 -2.836 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.191 1.357 -1.007 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.381 0.926 -2.558 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.339 0.457 -1.647 1.00 0.00 C ATOM 0 H TRP A 47 6.945 7.352 -2.023 1.00 0.00 H new ATOM 0 HA TRP A 47 4.236 7.350 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.721 5.111 -3.661 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.172 6.070 -3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.648 5.986 -1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.517 3.807 -0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.538 2.649 -3.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.926 1.001 -0.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.719 0.228 -3.048 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.417 -0.600 -1.441 1.00 0.00 H new ATOM 760 N GLN A 48 4.698 6.043 0.069 1.00 0.00 N ATOM 761 CA GLN A 48 3.961 5.433 1.212 1.00 0.00 C ATOM 762 C GLN A 48 2.575 6.075 1.318 1.00 0.00 C ATOM 763 O GLN A 48 1.570 5.448 1.050 1.00 0.00 O ATOM 764 CB GLN A 48 4.740 5.667 2.507 1.00 0.00 C ATOM 765 CG GLN A 48 4.455 4.528 3.487 1.00 0.00 C ATOM 766 CD GLN A 48 4.837 3.189 2.848 1.00 0.00 C ATOM 767 OE1 GLN A 48 5.607 3.173 1.792 1.00 0.00 O flip ATOM 768 NE2 GLN A 48 4.434 2.144 3.317 1.00 0.00 N flip ATOM 0 H GLN A 48 5.634 6.388 0.284 1.00 0.00 H new ATOM 0 HA GLN A 48 3.853 4.361 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.808 5.721 2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.453 6.621 2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.020 4.677 4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.399 4.524 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.833 2.153 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.697 1.257 2.887 1.00 0.00 H new ATOM 777 N ASN A 49 2.511 7.323 1.699 1.00 0.00 N ATOM 778 CA ASN A 49 1.188 8.001 1.812 1.00 0.00 C ATOM 779 C ASN A 49 0.605 8.205 0.413 1.00 0.00 C ATOM 780 O ASN A 49 -0.580 8.416 0.247 1.00 0.00 O ATOM 781 CB ASN A 49 1.363 9.358 2.496 1.00 0.00 C ATOM 782 CG ASN A 49 2.380 10.196 1.718 1.00 0.00 C ATOM 783 OD1 ASN A 49 2.121 10.607 0.604 1.00 0.00 O ATOM 784 ND2 ASN A 49 3.533 10.469 2.263 1.00 0.00 N ATOM 0 H ASN A 49 3.317 7.901 1.936 1.00 0.00 H new ATOM 0 HA ASN A 49 0.512 7.384 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.407 9.879 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.701 9.218 3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.218 11.028 1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.750 10.124 3.198 1.00 0.00 H new ATOM 791 N SER A 50 1.429 8.142 -0.594 1.00 0.00 N ATOM 792 CA SER A 50 0.924 8.328 -1.982 1.00 0.00 C ATOM 793 C SER A 50 0.030 7.145 -2.359 1.00 0.00 C ATOM 794 O SER A 50 -1.073 7.317 -2.837 1.00 0.00 O ATOM 795 CB SER A 50 2.107 8.399 -2.948 1.00 0.00 C ATOM 796 OG SER A 50 1.835 9.368 -3.950 1.00 0.00 O ATOM 0 H SER A 50 2.431 7.970 -0.516 1.00 0.00 H new ATOM 0 HA SER A 50 0.350 9.253 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.017 8.662 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.278 7.424 -3.405 1.00 0.00 H new ATOM 0 HG SER A 50 2.674 9.640 -4.378 1.00 0.00 H new ATOM 802 N ILE A 51 0.498 5.945 -2.148 1.00 0.00 N ATOM 803 CA ILE A 51 -0.325 4.751 -2.494 1.00 0.00 C ATOM 804 C ILE A 51 -1.655 4.822 -1.742 1.00 0.00 C ATOM 805 O ILE A 51 -2.714 4.808 -2.333 1.00 0.00 O ATOM 806 CB ILE A 51 0.424 3.473 -2.087 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.599 3.172 -3.037 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.539 2.284 -2.127 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.917 4.358 -3.952 1.00 0.00 C ATOM 0 H ILE A 51 1.415 5.740 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.510 4.734 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 51 0.816 3.628 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.483 2.919 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.359 2.300 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.009 1.376 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.362 2.459 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.933 2.169 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.752 4.101 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.042 4.595 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.184 5.224 -3.346 1.00 0.00 H new ATOM 821 N ARG A 52 -1.607 4.903 -0.441 1.00 0.00 N ATOM 822 CA ARG A 52 -2.869 4.973 0.344 1.00 0.00 C ATOM 823 C ARG A 52 -3.782 6.031 -0.275 1.00 0.00 C ATOM 824 O ARG A 52 -4.969 5.829 -0.430 1.00 0.00 O ATOM 825 CB ARG A 52 -2.544 5.357 1.790 1.00 0.00 C ATOM 826 CG ARG A 52 -3.840 5.618 2.560 1.00 0.00 C ATOM 827 CD ARG A 52 -3.707 6.915 3.359 1.00 0.00 C ATOM 828 NE ARG A 52 -4.013 6.644 4.791 1.00 0.00 N ATOM 829 CZ ARG A 52 -3.873 7.588 5.682 1.00 0.00 C ATOM 830 NH1 ARG A 52 -2.727 8.200 5.809 1.00 0.00 N ATOM 831 NH2 ARG A 52 -4.878 7.920 6.444 1.00 0.00 N ATOM 0 H ARG A 52 -0.749 4.924 0.111 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.369 4.005 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.979 4.558 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.914 6.247 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.679 5.690 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.051 4.785 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.698 7.315 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.389 7.669 2.966 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.333 5.718 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.941 7.941 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.617 8.938 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.774 7.442 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.768 8.658 7.140 1.00 0.00 H new ATOM 845 N HIS A 53 -3.231 7.153 -0.638 1.00 0.00 N ATOM 846 CA HIS A 53 -4.060 8.221 -1.256 1.00 0.00 C ATOM 847 C HIS A 53 -4.390 7.835 -2.702 1.00 0.00 C ATOM 848 O HIS A 53 -5.511 7.965 -3.150 1.00 0.00 O ATOM 849 CB HIS A 53 -3.277 9.537 -1.236 1.00 0.00 C ATOM 850 CG HIS A 53 -4.030 10.557 -0.425 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.328 11.002 -0.483 1.00 0.00 N flip ATOM 852 CD2 HIS A 53 -3.435 11.260 0.611 1.00 0.00 C flip ATOM 853 CE1 HIS A 53 -5.537 11.965 0.499 1.00 0.00 C flip ATOM 854 NE2 HIS A 53 -4.365 12.083 1.129 1.00 0.00 N flip ATOM 0 H HIS A 53 -2.241 7.377 -0.533 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.988 8.342 -0.697 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.287 9.377 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.131 9.901 -2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.411 11.165 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.451 12.502 0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.196 12.719 1.908 1.00 0.00 H new ATOM 862 N ASN A 54 -3.418 7.361 -3.436 1.00 0.00 N ATOM 863 CA ASN A 54 -3.664 6.968 -4.856 1.00 0.00 C ATOM 864 C ASN A 54 -4.743 5.888 -4.927 1.00 0.00 C ATOM 865 O ASN A 54 -5.642 5.949 -5.743 1.00 0.00 O ATOM 866 CB ASN A 54 -2.370 6.420 -5.461 1.00 0.00 C ATOM 867 CG ASN A 54 -1.358 7.555 -5.603 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.166 7.415 -5.093 1.00 0.00 O flip ATOM 869 ND2 ASN A 54 -1.655 8.581 -6.183 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.460 7.228 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.997 7.844 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.964 5.632 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.571 5.973 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.588 8.690 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.972 9.333 -6.271 1.00 0.00 H new ATOM 876 N LEU A 55 -4.656 4.891 -4.091 1.00 0.00 N ATOM 877 CA LEU A 55 -5.672 3.805 -4.129 1.00 0.00 C ATOM 878 C LEU A 55 -7.071 4.406 -3.986 1.00 0.00 C ATOM 879 O LEU A 55 -8.042 3.857 -4.467 1.00 0.00 O ATOM 880 CB LEU A 55 -5.412 2.822 -2.982 1.00 0.00 C ATOM 881 CG LEU A 55 -4.025 2.190 -3.141 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.929 0.941 -2.264 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.798 1.802 -4.605 1.00 0.00 C ATOM 0 H LEU A 55 -3.927 4.782 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.604 3.277 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.478 3.340 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.177 2.045 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.265 2.910 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.942 0.492 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.085 1.216 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.691 0.224 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.811 1.353 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.559 1.085 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.863 2.692 -5.231 1.00 0.00 H new ATOM 895 N SER A 56 -7.183 5.534 -3.338 1.00 0.00 N ATOM 896 CA SER A 56 -8.523 6.165 -3.174 1.00 0.00 C ATOM 897 C SER A 56 -8.829 7.037 -4.393 1.00 0.00 C ATOM 898 O SER A 56 -9.888 6.948 -4.980 1.00 0.00 O ATOM 899 CB SER A 56 -8.527 7.030 -1.913 1.00 0.00 C ATOM 900 OG SER A 56 -9.810 7.622 -1.755 1.00 0.00 O ATOM 0 H SER A 56 -6.407 6.044 -2.916 1.00 0.00 H new ATOM 0 HA SER A 56 -9.283 5.388 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.284 6.423 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.763 7.804 -1.986 1.00 0.00 H new ATOM 0 HG SER A 56 -9.817 8.176 -0.947 1.00 0.00 H new ATOM 906 N LEU A 57 -7.909 7.878 -4.781 1.00 0.00 N ATOM 907 CA LEU A 57 -8.152 8.752 -5.963 1.00 0.00 C ATOM 908 C LEU A 57 -8.147 7.901 -7.233 1.00 0.00 C ATOM 909 O LEU A 57 -8.915 8.127 -8.147 1.00 0.00 O ATOM 910 CB LEU A 57 -7.049 9.810 -6.057 1.00 0.00 C ATOM 911 CG LEU A 57 -7.193 10.807 -4.906 1.00 0.00 C ATOM 912 CD1 LEU A 57 -6.430 10.294 -3.684 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.615 12.157 -5.331 1.00 0.00 C ATOM 0 H LEU A 57 -7.001 7.997 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.118 9.245 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.070 9.333 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.112 10.331 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.248 10.920 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.534 11.006 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.836 9.329 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.375 10.181 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.716 12.870 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.561 12.039 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.156 12.526 -6.203 1.00 0.00 H new ATOM 925 N ASN A 58 -7.283 6.925 -7.299 1.00 0.00 N ATOM 926 CA ASN A 58 -7.223 6.060 -8.510 1.00 0.00 C ATOM 927 C ASN A 58 -8.632 5.561 -8.842 1.00 0.00 C ATOM 928 O ASN A 58 -9.436 5.316 -7.964 1.00 0.00 O ATOM 929 CB ASN A 58 -6.307 4.864 -8.242 1.00 0.00 C ATOM 930 CG ASN A 58 -4.836 5.297 -8.305 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.970 4.500 -8.602 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.509 6.531 -8.032 1.00 0.00 N ATOM 0 H ASN A 58 -6.615 6.689 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.829 6.633 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.527 4.441 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.495 4.081 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.531 6.820 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.231 7.206 -7.782 1.00 0.00 H new ATOM 939 N ARG A 59 -8.942 5.415 -10.101 1.00 0.00 N ATOM 940 CA ARG A 59 -10.304 4.945 -10.484 1.00 0.00 C ATOM 941 C ARG A 59 -10.337 3.418 -10.588 1.00 0.00 C ATOM 942 O ARG A 59 -11.363 2.800 -10.384 1.00 0.00 O ATOM 943 CB ARG A 59 -10.685 5.545 -11.838 1.00 0.00 C ATOM 944 CG ARG A 59 -10.191 6.990 -11.914 1.00 0.00 C ATOM 945 CD ARG A 59 -11.202 7.833 -12.695 1.00 0.00 C ATOM 946 NE ARG A 59 -10.604 9.159 -13.014 1.00 0.00 N ATOM 947 CZ ARG A 59 -11.373 10.152 -13.372 1.00 0.00 C ATOM 948 NH1 ARG A 59 -12.228 10.652 -12.522 1.00 0.00 N ATOM 949 NH2 ARG A 59 -11.290 10.642 -14.579 1.00 0.00 N ATOM 0 H ARG A 59 -8.312 5.601 -10.881 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.011 5.264 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.247 4.957 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.766 5.512 -11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.062 7.395 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.216 7.028 -12.401 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.486 7.320 -13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.112 7.964 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.594 9.292 -12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.295 10.267 -11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.829 11.428 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.624 10.249 -15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.891 11.418 -14.857 1.00 0.00 H new ATOM 963 N TYR A 60 -9.236 2.798 -10.920 1.00 0.00 N ATOM 964 CA TYR A 60 -9.246 1.308 -11.051 1.00 0.00 C ATOM 965 C TYR A 60 -8.982 0.640 -9.699 1.00 0.00 C ATOM 966 O TYR A 60 -9.335 -0.503 -9.491 1.00 0.00 O ATOM 967 CB TYR A 60 -8.189 0.837 -12.063 1.00 0.00 C ATOM 968 CG TYR A 60 -7.030 1.806 -12.131 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.340 2.171 -10.969 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.645 2.337 -13.367 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.268 3.067 -11.047 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.573 3.232 -13.444 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.886 3.598 -12.284 1.00 0.00 C ATOM 974 OH TYR A 60 -3.826 4.479 -12.357 1.00 0.00 O ATOM 0 H TYR A 60 -8.340 3.250 -11.104 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.235 1.019 -11.407 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.825 -0.151 -11.780 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.643 0.739 -13.049 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.635 1.762 -10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.177 2.055 -14.264 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.735 3.349 -10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.277 3.640 -14.399 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.691 4.752 -13.288 1.00 0.00 H new ATOM 984 N PHE A 61 -8.364 1.323 -8.777 1.00 0.00 N ATOM 985 CA PHE A 61 -8.090 0.681 -7.463 1.00 0.00 C ATOM 986 C PHE A 61 -9.297 0.841 -6.548 1.00 0.00 C ATOM 987 O PHE A 61 -9.636 1.926 -6.118 1.00 0.00 O ATOM 988 CB PHE A 61 -6.845 1.299 -6.834 1.00 0.00 C ATOM 989 CG PHE A 61 -5.661 0.869 -7.657 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.290 -0.478 -7.701 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.957 1.810 -8.406 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.212 -0.878 -8.491 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.885 1.413 -9.199 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.509 0.067 -9.244 1.00 0.00 C ATOM 0 H PHE A 61 -8.041 2.285 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.908 -0.384 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.924 2.386 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.734 0.970 -5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.837 -1.208 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.244 2.850 -8.371 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.921 -1.918 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.343 2.145 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.677 -0.242 -9.859 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.950 -0.246 -6.262 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.151 -0.195 -5.387 1.00 0.00 C ATOM 1006 C ILE A 62 -10.790 -0.713 -3.991 1.00 0.00 C ATOM 1007 O ILE A 62 -9.675 -1.126 -3.741 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.255 -1.066 -6.001 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.968 -2.542 -5.711 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.289 -0.854 -7.516 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.938 -3.052 -4.642 1.00 0.00 C ATOM 0 H ILE A 62 -9.702 -1.176 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.505 0.832 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.215 -0.786 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -12.074 -3.130 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.939 -2.663 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.073 -1.473 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.492 0.195 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.326 -1.133 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.733 -4.103 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.810 -2.472 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.962 -2.945 -4.999 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.725 -0.697 -3.081 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.435 -1.190 -1.706 1.00 0.00 C ATOM 1025 C LYS A 63 -12.691 -1.842 -1.123 1.00 0.00 C ATOM 1026 O LYS A 63 -13.791 -1.614 -1.585 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.016 -0.015 -0.821 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.904 1.194 -1.124 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.380 2.415 -0.365 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.287 2.696 0.834 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.999 4.059 1.365 1.00 0.00 N ATOM 0 H LYS A 63 -12.677 -0.364 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.629 -1.922 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.103 -0.289 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.970 0.234 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.911 1.394 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.933 0.985 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.359 2.237 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.352 3.282 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.333 2.623 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.123 1.949 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.615 4.251 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.004 4.112 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.177 4.765 0.623 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.537 -2.650 -0.110 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.725 -3.312 0.498 1.00 0.00 C ATOM 1047 C VAL A 64 -13.626 -3.237 2.026 1.00 0.00 C ATOM 1048 O VAL A 64 -12.547 -3.322 2.579 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.770 -4.779 0.065 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.775 -4.860 -1.462 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.539 -5.507 0.612 1.00 0.00 C ATOM 0 H VAL A 64 -11.642 -2.880 0.322 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.631 -2.806 0.165 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.674 -5.247 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.807 -5.905 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.650 -4.340 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.871 -4.393 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.568 -6.552 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.636 -5.039 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.535 -5.448 1.700 1.00 0.00 H new ATOM 1061 N PRO A 65 -14.760 -3.085 2.663 1.00 0.00 N ATOM 1062 CA PRO A 65 -14.840 -2.999 4.131 1.00 0.00 C ATOM 1063 C PRO A 65 -14.718 -4.395 4.750 1.00 0.00 C ATOM 1064 O PRO A 65 -14.266 -5.326 4.115 1.00 0.00 O ATOM 1065 CB PRO A 65 -16.230 -2.407 4.380 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.068 -2.714 3.116 1.00 0.00 C ATOM 1067 CD PRO A 65 -16.065 -2.985 1.979 1.00 0.00 C ATOM 0 HA PRO A 65 -14.044 -2.400 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.687 -2.848 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.169 -1.333 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.712 -3.578 3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.717 -1.874 2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.307 -3.904 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.069 -2.180 1.244 1.00 0.00 H new ATOM 1075 N ARG A 66 -15.121 -4.550 5.982 1.00 0.00 N ATOM 1076 CA ARG A 66 -15.028 -5.890 6.626 1.00 0.00 C ATOM 1077 C ARG A 66 -16.335 -6.653 6.399 1.00 0.00 C ATOM 1078 O ARG A 66 -17.325 -6.092 5.973 1.00 0.00 O ATOM 1079 CB ARG A 66 -14.784 -5.722 8.130 1.00 0.00 C ATOM 1080 CG ARG A 66 -16.076 -5.273 8.816 1.00 0.00 C ATOM 1081 CD ARG A 66 -15.786 -4.059 9.699 1.00 0.00 C ATOM 1082 NE ARG A 66 -16.213 -2.820 8.991 1.00 0.00 N ATOM 1083 CZ ARG A 66 -16.540 -1.760 9.675 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -15.846 -1.426 10.728 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -17.560 -1.035 9.307 1.00 0.00 N ATOM 0 H ARG A 66 -15.509 -3.810 6.567 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.200 -6.448 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.441 -6.663 8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.996 -4.988 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.829 -5.022 8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.483 -6.086 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.316 -4.150 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.722 -4.010 9.931 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.249 -2.801 7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.049 -1.994 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.100 -0.597 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.102 -1.298 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.816 -0.205 9.843 1.00 0.00 H new ATOM 1099 N SER A 67 -16.347 -7.927 6.679 1.00 0.00 N ATOM 1100 CA SER A 67 -17.593 -8.719 6.478 1.00 0.00 C ATOM 1101 C SER A 67 -17.942 -9.458 7.770 1.00 0.00 C ATOM 1102 O SER A 67 -18.814 -10.304 7.797 1.00 0.00 O ATOM 1103 CB SER A 67 -17.375 -9.731 5.353 1.00 0.00 C ATOM 1104 OG SER A 67 -16.846 -9.060 4.217 1.00 0.00 O ATOM 0 H SER A 67 -15.550 -8.453 7.037 1.00 0.00 H new ATOM 0 HA SER A 67 -18.411 -8.050 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.690 -10.514 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.317 -10.217 5.097 1.00 0.00 H new ATOM 0 HG SER A 67 -16.703 -9.705 3.493 1.00 0.00 H new ATOM 1110 N GLN A 68 -17.267 -9.148 8.842 1.00 0.00 N ATOM 1111 CA GLN A 68 -17.561 -9.835 10.131 1.00 0.00 C ATOM 1112 C GLN A 68 -18.102 -8.816 11.136 1.00 0.00 C ATOM 1113 O GLN A 68 -17.694 -7.671 11.154 1.00 0.00 O ATOM 1114 CB GLN A 68 -16.276 -10.458 10.679 1.00 0.00 C ATOM 1115 CG GLN A 68 -15.239 -9.358 10.913 1.00 0.00 C ATOM 1116 CD GLN A 68 -13.876 -9.821 10.397 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -13.310 -9.174 9.414 1.00 0.00 O flip ATOM 1118 NE2 GLN A 68 -13.319 -10.781 10.892 1.00 0.00 N flip ATOM 0 H GLN A 68 -16.525 -8.449 8.881 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.303 -10.616 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.482 -10.983 11.612 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.888 -11.196 9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.542 -8.444 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.176 -9.123 11.976 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.760 -11.287 11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.410 -11.081 10.540 1.00 0.00 H new ATOM 1127 N GLU A 69 -19.016 -9.219 11.977 1.00 0.00 N ATOM 1128 CA GLU A 69 -19.575 -8.270 12.978 1.00 0.00 C ATOM 1129 C GLU A 69 -18.450 -7.763 13.880 1.00 0.00 C ATOM 1130 O GLU A 69 -18.520 -6.681 14.428 1.00 0.00 O ATOM 1131 CB GLU A 69 -20.628 -8.984 13.831 1.00 0.00 C ATOM 1132 CG GLU A 69 -21.545 -9.810 12.926 1.00 0.00 C ATOM 1133 CD GLU A 69 -22.990 -9.686 13.414 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -23.239 -10.030 14.557 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -23.821 -9.249 12.635 1.00 0.00 O ATOM 0 H GLU A 69 -19.399 -10.164 12.013 1.00 0.00 H new ATOM 0 HA GLU A 69 -20.037 -7.429 12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.142 -9.631 14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.213 -8.255 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.467 -9.462 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.236 -10.855 12.934 1.00 0.00 H new ATOM 1142 N GLU A 70 -17.410 -8.536 14.038 1.00 0.00 N ATOM 1143 CA GLU A 70 -16.283 -8.095 14.906 1.00 0.00 C ATOM 1144 C GLU A 70 -15.638 -6.839 14.304 1.00 0.00 C ATOM 1145 O GLU A 70 -15.321 -6.813 13.131 1.00 0.00 O ATOM 1146 CB GLU A 70 -15.239 -9.213 14.992 1.00 0.00 C ATOM 1147 CG GLU A 70 -15.173 -9.743 16.427 1.00 0.00 C ATOM 1148 CD GLU A 70 -15.936 -11.066 16.520 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -16.467 -11.494 15.508 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -15.977 -11.629 17.601 1.00 0.00 O ATOM 0 H GLU A 70 -17.293 -9.452 13.604 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.658 -7.869 15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.498 -10.020 14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.262 -8.837 14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.135 -9.889 16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.602 -9.015 17.115 1.00 0.00 H new ATOM 1157 N PRO A 71 -15.465 -5.829 15.122 1.00 0.00 N ATOM 1158 CA PRO A 71 -14.863 -4.553 14.694 1.00 0.00 C ATOM 1159 C PRO A 71 -13.338 -4.676 14.622 1.00 0.00 C ATOM 1160 O PRO A 71 -12.694 -5.101 15.561 1.00 0.00 O ATOM 1161 CB PRO A 71 -15.276 -3.574 15.795 1.00 0.00 C ATOM 1162 CG PRO A 71 -15.587 -4.431 17.047 1.00 0.00 C ATOM 1163 CD PRO A 71 -15.854 -5.862 16.547 1.00 0.00 C ATOM 0 HA PRO A 71 -15.190 -4.238 13.703 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.477 -2.861 16.001 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.149 -2.996 15.493 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.750 -4.415 17.745 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.454 -4.039 17.579 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.267 -6.594 17.103 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.902 -6.136 16.667 1.00 0.00 H new ATOM 1171 N GLY A 72 -12.754 -4.304 13.515 1.00 0.00 N ATOM 1172 CA GLY A 72 -11.272 -4.396 13.385 1.00 0.00 C ATOM 1173 C GLY A 72 -10.809 -3.533 12.210 1.00 0.00 C ATOM 1174 O GLY A 72 -11.545 -2.709 11.703 1.00 0.00 O ATOM 0 H GLY A 72 -13.240 -3.940 12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.794 -4.062 14.306 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.974 -5.433 13.229 1.00 0.00 H new ATOM 1178 N LYS A 73 -9.593 -3.713 11.771 1.00 0.00 N ATOM 1179 CA LYS A 73 -9.084 -2.900 10.629 1.00 0.00 C ATOM 1180 C LYS A 73 -9.337 -3.644 9.316 1.00 0.00 C ATOM 1181 O LYS A 73 -8.507 -3.653 8.429 1.00 0.00 O ATOM 1182 CB LYS A 73 -7.582 -2.668 10.798 1.00 0.00 C ATOM 1183 CG LYS A 73 -6.840 -4.000 10.651 1.00 0.00 C ATOM 1184 CD LYS A 73 -5.842 -3.906 9.494 1.00 0.00 C ATOM 1185 CE LYS A 73 -5.425 -5.314 9.064 1.00 0.00 C ATOM 1186 NZ LYS A 73 -3.939 -5.426 9.104 1.00 0.00 N ATOM 0 H LYS A 73 -8.930 -4.387 12.153 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.602 -1.941 10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.227 -1.957 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.378 -2.232 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.318 -4.241 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.551 -4.806 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.291 -3.376 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.966 -3.334 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.874 -6.056 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.789 -5.521 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.655 -6.383 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.521 -4.728 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.603 -5.246 10.072 1.00 0.00 H new ATOM 1200 N GLY A 74 -10.474 -4.267 9.182 1.00 0.00 N ATOM 1201 CA GLY A 74 -10.773 -5.009 7.924 1.00 0.00 C ATOM 1202 C GLY A 74 -10.749 -4.038 6.741 1.00 0.00 C ATOM 1203 O GLY A 74 -11.599 -3.178 6.615 1.00 0.00 O ATOM 0 H GLY A 74 -11.209 -4.295 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.039 -5.801 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.749 -5.488 7.995 1.00 0.00 H new ATOM 1207 N SER A 75 -9.783 -4.167 5.874 1.00 0.00 N ATOM 1208 CA SER A 75 -9.708 -3.250 4.701 1.00 0.00 C ATOM 1209 C SER A 75 -8.760 -3.837 3.651 1.00 0.00 C ATOM 1210 O SER A 75 -7.554 -3.732 3.764 1.00 0.00 O ATOM 1211 CB SER A 75 -9.181 -1.886 5.153 1.00 0.00 C ATOM 1212 OG SER A 75 -9.281 -1.789 6.567 1.00 0.00 O ATOM 0 H SER A 75 -9.043 -4.867 5.927 1.00 0.00 H new ATOM 0 HA SER A 75 -10.702 -3.133 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.144 -1.762 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.753 -1.087 4.681 1.00 0.00 H new ATOM 0 HG SER A 75 -8.943 -0.917 6.860 1.00 0.00 H new ATOM 1218 N PHE A 76 -9.292 -4.454 2.631 1.00 0.00 N ATOM 1219 CA PHE A 76 -8.413 -5.043 1.580 1.00 0.00 C ATOM 1220 C PHE A 76 -8.377 -4.118 0.362 1.00 0.00 C ATOM 1221 O PHE A 76 -9.381 -3.569 -0.044 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.954 -6.412 1.163 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.814 -7.270 0.667 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -7.126 -6.915 -0.500 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.444 -8.421 1.373 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -6.068 -7.709 -0.958 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.386 -9.215 0.915 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.698 -8.859 -0.252 1.00 0.00 C ATOM 0 H PHE A 76 -10.293 -4.576 2.480 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.405 -5.158 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.446 -6.894 2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.704 -6.296 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.412 -6.029 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.975 -8.697 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.537 -7.434 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.100 -10.102 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.882 -9.472 -0.607 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.224 -3.945 -0.219 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.106 -3.060 -1.410 1.00 0.00 C ATOM 1240 C TRP A 77 -7.024 -3.917 -2.676 1.00 0.00 C ATOM 1241 O TRP A 77 -6.392 -4.955 -2.691 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.831 -2.226 -1.281 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.169 -0.845 -0.835 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.761 -0.288 0.326 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.966 0.162 -1.517 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.251 1.003 0.399 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.000 1.325 -0.714 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.655 0.180 -2.743 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.691 2.467 -1.113 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.354 1.328 -3.147 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.370 2.469 -2.332 1.00 0.00 C ATOM 0 H TRP A 77 -6.353 -4.381 0.082 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.975 -2.405 -1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.152 -2.692 -0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.311 -2.191 -2.238 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.152 -0.772 1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.080 1.638 1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.646 -0.694 -3.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.701 3.344 -0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.882 1.333 -4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.908 3.350 -2.648 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.651 -3.496 -3.742 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.595 -4.298 -4.999 1.00 0.00 C ATOM 1264 C ARG A 78 -7.959 -3.419 -6.199 1.00 0.00 C ATOM 1265 O ARG A 78 -8.582 -2.385 -6.062 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.577 -5.468 -4.910 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.832 -5.030 -4.156 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.814 -6.200 -4.062 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.747 -7.014 -5.309 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.019 -8.291 -5.269 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.598 -8.800 -4.216 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.716 -9.057 -6.280 1.00 0.00 N ATOM 0 H ARG A 78 -8.197 -2.636 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.583 -4.681 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.843 -5.809 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.109 -6.310 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.566 -4.686 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.301 -4.190 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.574 -6.820 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.827 -5.826 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.489 -6.574 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.837 -8.201 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.811 -9.797 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.266 -8.659 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.929 -10.054 -6.246 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.572 -3.831 -7.376 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.886 -3.034 -8.599 1.00 0.00 C ATOM 1288 C ILE A 79 -9.023 -3.704 -9.373 1.00 0.00 C ATOM 1289 O ILE A 79 -9.222 -4.900 -9.290 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.642 -2.967 -9.485 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.901 -2.042 -10.675 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.309 -4.366 -10.002 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.732 -1.067 -10.821 1.00 0.00 C ATOM 0 H ILE A 79 -7.049 -4.690 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.191 -2.028 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.808 -2.581 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.017 -2.628 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.831 -1.493 -10.528 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.422 -4.319 -10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.119 -5.030 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.148 -4.749 -10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.913 -0.406 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.637 -0.474 -9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.811 -1.626 -10.987 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.764 -2.945 -10.135 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.878 -3.544 -10.920 1.00 0.00 C ATOM 1307 C ASP A 80 -10.309 -4.606 -11.867 1.00 0.00 C ATOM 1308 O ASP A 80 -9.203 -4.470 -12.353 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.578 -2.452 -11.732 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.802 -1.951 -10.963 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.093 -2.513 -9.921 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.427 -1.013 -11.431 1.00 0.00 O ATOM 0 H ASP A 80 -9.645 -1.938 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.599 -4.004 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.891 -1.627 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.880 -2.843 -12.703 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.076 -5.642 -12.086 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.672 -6.762 -12.956 1.00 0.00 C ATOM 1319 C PRO A 81 -10.869 -6.420 -14.439 1.00 0.00 C ATOM 1320 O PRO A 81 -10.078 -6.800 -15.279 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.611 -7.894 -12.534 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.845 -7.223 -11.882 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.417 -5.797 -11.483 1.00 0.00 C ATOM 0 HA PRO A 81 -9.617 -7.014 -12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.906 -8.495 -13.395 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.118 -8.565 -11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.683 -7.195 -12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.175 -7.786 -11.009 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.114 -5.050 -11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.383 -5.679 -10.400 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.923 -5.725 -14.772 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.167 -5.388 -16.205 1.00 0.00 C ATOM 1333 C ALA A 82 -11.304 -4.200 -16.635 1.00 0.00 C ATOM 1334 O ALA A 82 -11.303 -3.813 -17.786 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.644 -5.040 -16.401 1.00 0.00 C ATOM 0 H ALA A 82 -12.623 -5.377 -14.117 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.903 -6.251 -16.816 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.824 -4.794 -17.447 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.260 -5.894 -16.118 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.902 -4.184 -15.777 1.00 0.00 H new ATOM 1341 N SER A 83 -10.565 -3.621 -15.733 1.00 0.00 N ATOM 1342 CA SER A 83 -9.706 -2.468 -16.115 1.00 0.00 C ATOM 1343 C SER A 83 -8.245 -2.838 -15.874 1.00 0.00 C ATOM 1344 O SER A 83 -7.340 -2.169 -16.329 1.00 0.00 O ATOM 1345 CB SER A 83 -10.075 -1.251 -15.263 1.00 0.00 C ATOM 1346 OG SER A 83 -10.983 -0.429 -15.987 1.00 0.00 O ATOM 0 H SER A 83 -10.518 -3.895 -14.751 1.00 0.00 H new ATOM 0 HA SER A 83 -9.856 -2.227 -17.167 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.527 -1.573 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.179 -0.686 -15.008 1.00 0.00 H new ATOM 0 HG SER A 83 -11.223 0.351 -15.444 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.011 -3.905 -15.160 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.613 -4.319 -14.872 1.00 0.00 C ATOM 1354 C GLU A 84 -5.854 -4.539 -16.176 1.00 0.00 C ATOM 1355 O GLU A 84 -4.678 -4.256 -16.267 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.624 -5.620 -14.070 1.00 0.00 C ATOM 1357 CG GLU A 84 -7.163 -6.750 -14.948 1.00 0.00 C ATOM 1358 CD GLU A 84 -7.740 -7.856 -14.062 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -7.521 -7.801 -12.863 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -8.392 -8.737 -14.598 1.00 0.00 O ATOM 0 H GLU A 84 -8.732 -4.508 -14.764 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.120 -3.534 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.617 -5.858 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.244 -5.507 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.933 -6.368 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.365 -7.150 -15.574 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.505 -5.035 -17.189 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.790 -5.253 -18.476 1.00 0.00 C ATOM 1369 C ALA A 85 -5.448 -3.895 -19.090 1.00 0.00 C ATOM 1370 O ALA A 85 -4.597 -3.786 -19.949 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.687 -6.040 -19.433 1.00 0.00 C ATOM 0 H ALA A 85 -7.491 -5.297 -17.183 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.875 -5.818 -18.300 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.163 -6.199 -20.375 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.936 -7.004 -18.989 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.603 -5.479 -19.618 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.107 -2.856 -18.652 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.823 -1.502 -19.206 1.00 0.00 C ATOM 1379 C LYS A 86 -4.771 -0.801 -18.347 1.00 0.00 C ATOM 1380 O LYS A 86 -3.752 -0.360 -18.839 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.110 -0.673 -19.216 1.00 0.00 C ATOM 1382 CG LYS A 86 -6.821 0.714 -19.794 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.930 1.765 -18.687 1.00 0.00 C ATOM 1384 CE LYS A 86 -5.897 2.867 -18.925 1.00 0.00 C ATOM 1385 NZ LYS A 86 -6.078 3.433 -20.291 1.00 0.00 N ATOM 0 H LYS A 86 -6.830 -2.887 -17.934 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.447 -1.603 -20.224 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.873 -1.174 -19.811 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.504 -0.582 -18.204 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.823 0.735 -20.233 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.526 0.940 -20.594 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.934 2.190 -18.672 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.766 1.302 -17.714 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.009 3.652 -18.177 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.890 2.465 -18.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.605 4.357 -20.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.663 2.787 -20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.093 3.550 -20.486 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.003 -0.684 -17.069 1.00 0.00 N ATOM 1400 CA LEU A 87 -3.997 -0.001 -16.205 1.00 0.00 C ATOM 1401 C LEU A 87 -2.633 -0.631 -16.416 1.00 0.00 C ATOM 1402 O LEU A 87 -1.658 0.032 -16.712 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.365 -0.139 -14.726 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.180 -1.412 -14.480 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.604 -2.160 -13.276 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.631 -1.029 -14.184 1.00 0.00 C ATOM 0 H LEU A 87 -5.835 -1.027 -16.589 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.980 1.054 -16.477 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.458 -0.161 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.938 0.732 -14.407 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.137 -2.050 -15.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.183 -3.066 -13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.566 -2.426 -13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.652 -1.521 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.217 -1.931 -14.008 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.666 -0.395 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.045 -0.488 -15.035 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.564 -1.909 -16.251 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.281 -2.623 -16.419 1.00 0.00 C ATOM 1420 C VAL A 88 -0.514 -2.081 -17.626 1.00 0.00 C ATOM 1421 O VAL A 88 0.701 -2.046 -17.629 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.582 -4.083 -16.649 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.131 -4.710 -15.366 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.616 -4.208 -17.769 1.00 0.00 C ATOM 0 H VAL A 88 -3.356 -2.502 -16.002 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.671 -2.482 -15.527 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.668 -4.604 -16.932 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.346 -5.764 -15.539 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.392 -4.617 -14.570 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.047 -4.196 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.840 -5.261 -17.942 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.529 -3.686 -17.482 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.218 -3.767 -18.683 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.199 -1.665 -18.652 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.478 -1.139 -19.845 1.00 0.00 C ATOM 1436 C GLU A 89 0.463 -0.031 -19.388 1.00 0.00 C ATOM 1437 O GLU A 89 1.554 0.126 -19.898 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.484 -0.580 -20.853 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.368 -1.348 -22.170 1.00 0.00 C ATOM 1440 CD GLU A 89 -0.810 -0.424 -23.253 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -1.275 0.700 -23.342 1.00 0.00 O ATOM 1442 OE2 GLU A 89 0.075 -0.855 -23.974 1.00 0.00 O ATOM 0 H GLU A 89 -2.217 -1.665 -18.718 1.00 0.00 H new ATOM 0 HA GLU A 89 0.088 -1.938 -20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.496 -0.666 -20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.296 0.480 -21.021 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.716 -2.212 -22.043 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.345 -1.727 -22.469 1.00 0.00 H new ATOM 1449 N GLN A 90 0.054 0.729 -18.412 1.00 0.00 N ATOM 1450 CA GLN A 90 0.932 1.815 -17.899 1.00 0.00 C ATOM 1451 C GLN A 90 1.799 1.259 -16.764 1.00 0.00 C ATOM 1452 O GLN A 90 2.767 1.867 -16.353 1.00 0.00 O ATOM 1453 CB GLN A 90 0.075 2.966 -17.371 1.00 0.00 C ATOM 1454 CG GLN A 90 0.709 4.298 -17.776 1.00 0.00 C ATOM 1455 CD GLN A 90 -0.366 5.225 -18.348 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -0.499 5.349 -19.549 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.143 5.885 -17.534 1.00 0.00 N ATOM 0 H GLN A 90 -0.850 0.645 -17.948 1.00 0.00 H new ATOM 0 HA GLN A 90 1.567 2.184 -18.704 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.936 2.895 -17.772 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.007 2.905 -16.286 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.183 4.764 -16.912 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.491 4.130 -18.517 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.031 5.781 -16.526 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.862 6.505 -17.906 1.00 0.00 H new ATOM 1466 N ALA A 91 1.453 0.106 -16.255 1.00 0.00 N ATOM 1467 CA ALA A 91 2.252 -0.492 -15.146 1.00 0.00 C ATOM 1468 C ALA A 91 3.685 -0.745 -15.617 1.00 0.00 C ATOM 1469 O ALA A 91 4.615 -0.092 -15.186 1.00 0.00 O ATOM 1470 CB ALA A 91 1.623 -1.815 -14.710 1.00 0.00 C ATOM 0 H ALA A 91 0.652 -0.447 -16.559 1.00 0.00 H new ATOM 0 HA ALA A 91 2.263 0.200 -14.304 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.210 -2.248 -13.900 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.604 -1.637 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.605 -2.505 -15.554 1.00 0.00 H new ATOM 1476 N PHE A 92 3.869 -1.691 -16.496 1.00 0.00 N ATOM 1477 CA PHE A 92 5.246 -1.989 -16.991 1.00 0.00 C ATOM 1478 C PHE A 92 5.647 -0.965 -18.058 1.00 0.00 C ATOM 1479 O PHE A 92 6.055 -1.316 -19.147 1.00 0.00 O ATOM 1480 CB PHE A 92 5.300 -3.401 -17.589 1.00 0.00 C ATOM 1481 CG PHE A 92 3.993 -3.729 -18.274 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.557 -2.960 -19.358 1.00 0.00 C ATOM 1483 CD2 PHE A 92 3.218 -4.804 -17.821 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.345 -3.265 -19.990 1.00 0.00 C ATOM 1485 CE2 PHE A 92 2.007 -5.108 -18.453 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.571 -4.340 -19.538 1.00 0.00 C ATOM 0 H PHE A 92 3.129 -2.270 -16.893 1.00 0.00 H new ATOM 0 HA PHE A 92 5.940 -1.931 -16.153 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.120 -3.470 -18.303 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.500 -4.129 -16.803 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.155 -2.131 -19.708 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.555 -5.398 -16.984 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.008 -2.671 -20.826 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.409 -5.936 -18.103 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.637 -4.577 -20.027 1.00 0.00 H new ATOM 1496 N ARG A 93 5.545 0.299 -17.747 1.00 0.00 N ATOM 1497 CA ARG A 93 5.931 1.348 -18.735 1.00 0.00 C ATOM 1498 C ARG A 93 7.029 2.226 -18.130 1.00 0.00 C ATOM 1499 O ARG A 93 6.765 3.105 -17.333 1.00 0.00 O ATOM 1500 CB ARG A 93 4.713 2.212 -19.072 1.00 0.00 C ATOM 1501 CG ARG A 93 4.645 2.435 -20.584 1.00 0.00 C ATOM 1502 CD ARG A 93 6.000 2.933 -21.092 1.00 0.00 C ATOM 1503 NE ARG A 93 5.813 3.666 -22.376 1.00 0.00 N ATOM 1504 CZ ARG A 93 6.168 3.111 -23.503 1.00 0.00 C ATOM 1505 NH1 ARG A 93 5.929 1.845 -23.709 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.764 3.820 -24.421 1.00 0.00 N ATOM 0 H ARG A 93 5.211 0.651 -16.850 1.00 0.00 H new ATOM 0 HA ARG A 93 6.298 0.875 -19.646 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.802 1.725 -18.725 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.780 3.170 -18.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.376 1.506 -21.087 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.868 3.162 -20.820 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.459 3.588 -20.351 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.677 2.091 -21.237 1.00 0.00 H new ATOM 0 HE ARG A 93 5.407 4.602 -22.374 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.465 1.290 -22.990 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.206 1.410 -24.589 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.953 4.809 -24.259 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.041 3.385 -25.301 1.00 0.00 H new ATOM 1520 N LYS A 94 8.260 1.989 -18.494 1.00 0.00 N ATOM 1521 CA LYS A 94 9.374 2.804 -17.931 1.00 0.00 C ATOM 1522 C LYS A 94 9.429 4.163 -18.631 1.00 0.00 C ATOM 1523 O LYS A 94 9.739 4.257 -19.802 1.00 0.00 O ATOM 1524 CB LYS A 94 10.701 2.071 -18.142 1.00 0.00 C ATOM 1525 CG LYS A 94 11.761 2.654 -17.206 1.00 0.00 C ATOM 1526 CD LYS A 94 12.966 1.712 -17.147 1.00 0.00 C ATOM 1527 CE LYS A 94 13.662 1.858 -15.792 1.00 0.00 C ATOM 1528 NZ LYS A 94 13.973 3.294 -15.545 1.00 0.00 N ATOM 0 H LYS A 94 8.542 1.267 -19.157 1.00 0.00 H new ATOM 0 HA LYS A 94 9.204 2.954 -16.865 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.575 1.006 -17.947 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.022 2.170 -19.179 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.072 3.637 -17.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.344 2.791 -16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.643 0.681 -17.293 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.663 1.944 -17.953 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.022 1.472 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.579 1.269 -15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.671 3.371 -14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.362 3.719 -16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.103 3.796 -15.274 1.00 0.00 H new ATOM 1542 N ARG A 95 9.138 5.220 -17.921 1.00 0.00 N ATOM 1543 CA ARG A 95 9.182 6.572 -18.543 1.00 0.00 C ATOM 1544 C ARG A 95 10.621 6.897 -18.944 1.00 0.00 C ATOM 1545 O ARG A 95 11.299 7.668 -18.292 1.00 0.00 O ATOM 1546 CB ARG A 95 8.687 7.614 -17.537 1.00 0.00 C ATOM 1547 CG ARG A 95 7.334 7.178 -16.974 1.00 0.00 C ATOM 1548 CD ARG A 95 6.212 7.763 -17.833 1.00 0.00 C ATOM 1549 NE ARG A 95 4.893 7.355 -17.276 1.00 0.00 N ATOM 1550 CZ ARG A 95 3.859 8.138 -17.408 1.00 0.00 C ATOM 1551 NH1 ARG A 95 3.281 8.265 -18.571 1.00 0.00 N ATOM 1552 NH2 ARG A 95 3.402 8.794 -16.377 1.00 0.00 N ATOM 0 H ARG A 95 8.872 5.204 -16.937 1.00 0.00 H new ATOM 0 HA ARG A 95 8.543 6.588 -19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.410 7.727 -16.729 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.595 8.587 -18.020 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.267 6.090 -16.961 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.231 7.516 -15.943 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.288 8.850 -17.857 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.308 7.414 -18.861 1.00 0.00 H new ATOM 0 HE ARG A 95 4.798 6.463 -16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.638 7.752 -19.377 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.472 8.878 -18.674 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.854 8.694 -15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.593 9.407 -16.480 1.00 0.00 H new ATOM 1566 N ARG A 96 11.097 6.314 -20.008 1.00 0.00 N ATOM 1567 CA ARG A 96 12.494 6.587 -20.444 1.00 0.00 C ATOM 1568 C ARG A 96 12.494 7.694 -21.502 1.00 0.00 C ATOM 1569 O ARG A 96 12.509 7.431 -22.688 1.00 0.00 O ATOM 1570 CB ARG A 96 13.102 5.316 -21.038 1.00 0.00 C ATOM 1571 CG ARG A 96 13.689 4.457 -19.915 1.00 0.00 C ATOM 1572 CD ARG A 96 15.213 4.419 -20.048 1.00 0.00 C ATOM 1573 NE ARG A 96 15.813 5.475 -19.185 1.00 0.00 N ATOM 1574 CZ ARG A 96 16.721 5.159 -18.303 1.00 0.00 C ATOM 1575 NH1 ARG A 96 17.529 4.158 -18.527 1.00 0.00 N ATOM 1576 NH2 ARG A 96 16.824 5.846 -17.198 1.00 0.00 N ATOM 0 H ARG A 96 10.579 5.660 -20.595 1.00 0.00 H new ATOM 0 HA ARG A 96 13.085 6.906 -19.585 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.340 4.755 -21.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.879 5.574 -21.757 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.408 4.866 -18.945 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.283 3.447 -19.965 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.590 3.439 -19.757 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.502 4.576 -21.087 1.00 0.00 H new ATOM 0 HE ARG A 96 15.514 6.445 -19.284 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.450 3.623 -19.392 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.239 3.911 -17.837 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.195 6.630 -17.024 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.534 5.599 -16.508 1.00 0.00 H new ATOM 1590 N GLN A 97 12.481 8.929 -21.081 1.00 0.00 N ATOM 1591 CA GLN A 97 12.485 10.048 -22.064 1.00 0.00 C ATOM 1592 C GLN A 97 13.919 10.306 -22.531 1.00 0.00 C ATOM 1593 O GLN A 97 14.869 10.019 -21.829 1.00 0.00 O ATOM 1594 CB GLN A 97 11.931 11.312 -21.401 1.00 0.00 C ATOM 1595 CG GLN A 97 11.431 12.275 -22.480 1.00 0.00 C ATOM 1596 CD GLN A 97 10.010 11.885 -22.892 1.00 0.00 C ATOM 1597 OE1 GLN A 97 9.346 11.142 -22.196 1.00 0.00 O ATOM 1598 NE2 GLN A 97 9.513 12.358 -24.001 1.00 0.00 N ATOM 0 H GLN A 97 12.468 9.211 -20.101 1.00 0.00 H new ATOM 0 HA GLN A 97 11.863 9.784 -22.919 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.117 11.054 -20.723 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.705 11.791 -20.801 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.444 13.298 -22.104 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.093 12.245 -23.345 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.071 12.981 -24.585 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.567 12.104 -24.285 1.00 0.00 H new ATOM 1607 N ARG A 98 14.086 10.842 -23.707 1.00 0.00 N ATOM 1608 CA ARG A 98 15.462 11.112 -24.211 1.00 0.00 C ATOM 1609 C ARG A 98 15.502 12.481 -24.893 1.00 0.00 C ATOM 1610 O ARG A 98 14.482 13.099 -25.127 1.00 0.00 O ATOM 1611 CB ARG A 98 15.856 10.030 -25.218 1.00 0.00 C ATOM 1612 CG ARG A 98 14.675 9.751 -26.151 1.00 0.00 C ATOM 1613 CD ARG A 98 15.056 8.648 -27.139 1.00 0.00 C ATOM 1614 NE ARG A 98 13.823 7.968 -27.622 1.00 0.00 N ATOM 1615 CZ ARG A 98 13.852 7.266 -28.723 1.00 0.00 C ATOM 1616 NH1 ARG A 98 13.964 7.867 -29.875 1.00 0.00 N ATOM 1617 NH2 ARG A 98 13.770 5.965 -28.669 1.00 0.00 N ATOM 0 H ARG A 98 13.331 11.105 -24.341 1.00 0.00 H new ATOM 0 HA ARG A 98 16.161 11.105 -23.374 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.722 10.353 -25.796 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.144 9.118 -24.695 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.803 9.449 -25.571 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.401 10.658 -26.690 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.604 9.072 -27.981 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.718 7.927 -26.659 1.00 0.00 H new ATOM 0 HE ARG A 98 12.955 8.050 -27.093 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.029 8.884 -29.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.987 7.320 -30.736 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.683 5.496 -27.767 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.793 5.416 -29.529 1.00 0.00 H new ATOM 1631 N GLY A 99 16.673 12.958 -25.216 1.00 0.00 N ATOM 1632 CA GLY A 99 16.780 14.286 -25.884 1.00 0.00 C ATOM 1633 C GLY A 99 16.429 14.139 -27.365 1.00 0.00 C ATOM 1634 O GLY A 99 15.326 13.769 -27.718 1.00 0.00 O ATOM 0 H GLY A 99 17.561 12.485 -25.046 1.00 0.00 H new ATOM 0 HA2 GLY A 99 16.107 15.000 -25.409 1.00 0.00 H new ATOM 0 HA3 GLY A 99 17.791 14.680 -25.776 1.00 0.00 H new ATOM 1638 N VAL A 100 17.357 14.426 -28.238 1.00 0.00 N ATOM 1639 CA VAL A 100 17.073 14.304 -29.695 1.00 0.00 C ATOM 1640 C VAL A 100 18.060 13.323 -30.332 1.00 0.00 C ATOM 1641 O VAL A 100 19.193 13.661 -30.611 1.00 0.00 O ATOM 1642 CB VAL A 100 17.218 15.676 -30.360 1.00 0.00 C ATOM 1643 CG1 VAL A 100 15.972 16.516 -30.077 1.00 0.00 C ATOM 1644 CG2 VAL A 100 18.449 16.386 -29.792 1.00 0.00 C ATOM 0 H VAL A 100 18.299 14.740 -28.004 1.00 0.00 H new ATOM 0 HA VAL A 100 16.057 13.936 -29.835 1.00 0.00 H new ATOM 0 HB VAL A 100 17.332 15.548 -31.436 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.076 17.492 -30.551 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.093 16.010 -30.478 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.857 16.645 -29.001 1.00 0.00 H new ATOM 0 HG21 VAL A 100 18.555 17.363 -30.263 1.00 0.00 H new ATOM 0 HG22 VAL A 100 18.332 16.513 -28.716 1.00 0.00 H new ATOM 0 HG23 VAL A 100 19.338 15.788 -29.992 1.00 0.00 H new ATOM 1654 N SER A 101 17.638 12.110 -30.569 1.00 0.00 N ATOM 1655 CA SER A 101 18.553 11.112 -31.191 1.00 0.00 C ATOM 1656 C SER A 101 17.916 9.723 -31.124 1.00 0.00 C ATOM 1657 O SER A 101 18.568 8.817 -30.632 1.00 0.00 O ATOM 1658 CB SER A 101 19.884 11.099 -30.438 1.00 0.00 C ATOM 1659 OG SER A 101 20.794 11.984 -31.078 1.00 0.00 O ATOM 1660 OXT SER A 101 16.788 9.589 -31.568 1.00 0.00 O ATOM 0 H SER A 101 16.700 11.768 -30.359 1.00 0.00 H new ATOM 0 HA SER A 101 18.728 11.382 -32.233 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.732 11.402 -29.402 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.294 10.089 -30.418 1.00 0.00 H new ATOM 0 HG SER A 101 20.640 12.898 -30.760 1.00 0.00 H new TER 1666 SER A 101