USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1085 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 65 ASN : amide:sc= 0.361 X(o=1.6,f=1.4) USER MOD Set 1.2: A 68 SER OG : rot 155:sc= 1.19 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 26 ASN : amide:sc= -1.36 K(o=-7.7,f=-8.4!) USER MOD Set 3.2: A 80 HIS : no HE2:sc= -6.35! C(o=-7.7!,f=-16!) USER MOD Set 3.3: A 105 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -155:sc= 1.88 (180deg=0.532) USER MOD Set 4.2: A 25 SER OG : rot -130:sc= 0.959 USER MOD Set 5.1: A 1 ALA N :NH3+ 165:sc= 1.2 (180deg=-0.0405) USER MOD Set 5.2: A 22 GLN : amide:sc= 0.297 K(o=1.5,f=-7.3!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.373 K(o=0.37,f=-4.2!) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 0.0731 (180deg=-0.184) USER MOD Single : A 34 SER OG : rot -70:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 101:sc= 0.691 USER MOD Single : A 43 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.45) USER MOD Single : A 46 HIS : no HE2:sc= -2.89 K(o=-2,f=-10!) USER MOD Single : A 48 HIS : no HD1:sc= -6.04! C(o=-6!,f=-6.3!) USER MOD Single : A 53 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.9) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.806 K(o=-0.81,f=-0.18) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.13) USER MOD Single : A 71 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc=-0.00805 (180deg=-0.128) USER MOD Single : A 86 ASN : amide:sc= -0.857 K(o=-0.86,f=-0.27) USER MOD Single : A 88 THR OG1 : rot 50:sc= 0.113 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -137:sc= 0.468 USER MOD Single : A 102 SER OG : rot -45:sc= 1.19 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 111 SER OG : rot 180:sc= -0.296 USER MOD Single : A 116 THR OG1 : rot 34:sc= -1.1 USER MOD Single : A 120 HIS : no HE2:sc= -2.05 K(o=-1.9,f=-8!) USER MOD Single : A 122 LYS NZ :NH3+ 159:sc= 0.583 (180deg=-0.235!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 134 SER OG : rot -160:sc= -0.29 USER MOD Single : A 135 THR OG1 : rot 86:sc= 0.398 USER MOD Single : A 136 LYS NZ :NH3+ 155:sc= 1.28 (180deg=0.833) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 139 ASN : amide:sc= -0.0859 K(o=-0.086,f=-1.4!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.493 -14.430 1.700 1.00 0.00 N ATOM 2 CA ALA A 1 7.866 -14.817 0.347 1.00 0.00 C ATOM 3 C ALA A 1 6.682 -14.747 -0.613 1.00 0.00 C ATOM 4 O ALA A 1 6.619 -13.866 -1.436 1.00 0.00 O ATOM 5 CB ALA A 1 8.491 -16.206 0.325 1.00 0.00 C ATOM 0 H1 ALA A 1 8.237 -14.727 2.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.380 -13.397 1.747 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.596 -14.889 1.957 1.00 0.00 H new ATOM 0 HA ALA A 1 8.611 -14.098 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.759 -16.468 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.386 -16.212 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.776 -16.933 0.710 1.00 0.00 H new ATOM 13 N THR A 2 5.729 -15.645 -0.465 1.00 0.00 N ATOM 14 CA THR A 2 4.651 -15.781 -1.435 1.00 0.00 C ATOM 15 C THR A 2 3.333 -15.101 -0.982 1.00 0.00 C ATOM 16 O THR A 2 2.528 -14.655 -1.810 1.00 0.00 O ATOM 17 CB THR A 2 4.399 -17.287 -1.682 1.00 0.00 C ATOM 18 OG1 THR A 2 5.668 -17.948 -1.872 1.00 0.00 O ATOM 19 CG2 THR A 2 3.539 -17.515 -2.921 1.00 0.00 C ATOM 0 H THR A 2 5.676 -16.295 0.319 1.00 0.00 H new ATOM 0 HA THR A 2 4.963 -15.275 -2.349 1.00 0.00 H new ATOM 0 HB THR A 2 3.872 -17.691 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.519 -18.904 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.383 -18.584 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.576 -17.021 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.043 -17.102 -3.795 1.00 0.00 H new ATOM 27 N LYS A 3 3.117 -14.996 0.303 1.00 0.00 N ATOM 28 CA LYS A 3 1.848 -14.507 0.769 1.00 0.00 C ATOM 29 C LYS A 3 2.025 -13.521 1.897 1.00 0.00 C ATOM 30 O LYS A 3 2.985 -13.611 2.674 1.00 0.00 O ATOM 31 CB LYS A 3 0.963 -15.689 1.212 1.00 0.00 C ATOM 32 CG LYS A 3 -0.441 -15.296 1.640 1.00 0.00 C ATOM 33 CD LYS A 3 -1.263 -16.497 2.052 1.00 0.00 C ATOM 34 CE LYS A 3 -2.656 -16.071 2.471 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.493 -17.216 2.851 1.00 0.00 N ATOM 0 H LYS A 3 3.788 -15.237 1.032 1.00 0.00 H new ATOM 0 HA LYS A 3 1.356 -13.984 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.893 -16.402 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.452 -16.203 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.384 -14.593 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.939 -14.779 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.326 -17.203 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.772 -17.015 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.586 -15.379 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.131 -15.531 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.436 -16.879 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.582 -17.864 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.054 -17.717 3.650 1.00 0.00 H new ATOM 49 N ALA A 4 1.117 -12.580 1.968 1.00 0.00 N ATOM 50 CA ALA A 4 1.091 -11.616 3.000 1.00 0.00 C ATOM 51 C ALA A 4 -0.354 -11.375 3.336 1.00 0.00 C ATOM 52 O ALA A 4 -1.192 -11.429 2.452 1.00 0.00 O ATOM 53 CB ALA A 4 1.781 -10.335 2.545 1.00 0.00 C ATOM 0 H ALA A 4 0.365 -12.474 1.287 1.00 0.00 H new ATOM 0 HA ALA A 4 1.628 -11.964 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.753 -9.601 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.818 -10.552 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.266 -9.935 1.672 1.00 0.00 H new ATOM 59 N VAL A 5 -0.653 -11.169 4.588 1.00 0.00 N ATOM 60 CA VAL A 5 -2.012 -10.935 5.011 1.00 0.00 C ATOM 61 C VAL A 5 -2.044 -9.632 5.752 1.00 0.00 C ATOM 62 O VAL A 5 -1.226 -9.389 6.649 1.00 0.00 O ATOM 63 CB VAL A 5 -2.593 -12.089 5.904 1.00 0.00 C ATOM 64 CG1 VAL A 5 -4.014 -11.773 6.366 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.585 -13.411 5.151 1.00 0.00 C ATOM 0 H VAL A 5 0.032 -11.158 5.344 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.646 -10.903 4.125 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.952 -12.173 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.387 -12.591 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.011 -10.852 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.660 -11.649 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.992 -14.196 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.195 -13.321 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.562 -13.664 4.872 1.00 0.00 H new ATOM 75 N ALA A 6 -2.936 -8.794 5.370 1.00 0.00 N ATOM 76 CA ALA A 6 -3.046 -7.498 5.941 1.00 0.00 C ATOM 77 C ALA A 6 -4.404 -7.325 6.562 1.00 0.00 C ATOM 78 O ALA A 6 -5.385 -7.871 6.067 1.00 0.00 O ATOM 79 CB ALA A 6 -2.802 -6.469 4.876 1.00 0.00 C ATOM 0 H ALA A 6 -3.622 -8.990 4.641 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.300 -7.372 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.885 -5.472 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.802 -6.603 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.541 -6.584 4.083 1.00 0.00 H new ATOM 85 N VAL A 7 -4.456 -6.591 7.647 1.00 0.00 N ATOM 86 CA VAL A 7 -5.693 -6.349 8.355 1.00 0.00 C ATOM 87 C VAL A 7 -5.852 -4.848 8.534 1.00 0.00 C ATOM 88 O VAL A 7 -4.925 -4.179 8.991 1.00 0.00 O ATOM 89 CB VAL A 7 -5.714 -7.050 9.755 1.00 0.00 C ATOM 90 CG1 VAL A 7 -7.044 -6.824 10.468 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.429 -8.546 9.634 1.00 0.00 C ATOM 0 H VAL A 7 -3.641 -6.143 8.066 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.516 -6.764 7.773 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.922 -6.598 10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.027 -7.323 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.202 -5.755 10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.855 -7.232 9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.451 -9.002 10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.187 -9.011 9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.445 -8.694 9.188 1.00 0.00 H new ATOM 101 N LEU A 8 -6.967 -4.328 8.109 1.00 0.00 N ATOM 102 CA LEU A 8 -7.242 -2.917 8.229 1.00 0.00 C ATOM 103 C LEU A 8 -8.371 -2.706 9.228 1.00 0.00 C ATOM 104 O LEU A 8 -9.388 -3.403 9.176 1.00 0.00 O ATOM 105 CB LEU A 8 -7.624 -2.336 6.858 1.00 0.00 C ATOM 106 CG LEU A 8 -6.581 -2.490 5.736 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.124 -1.956 4.421 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.287 -1.773 6.095 1.00 0.00 C ATOM 0 H LEU A 8 -7.714 -4.866 7.669 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.350 -2.402 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.550 -2.810 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.837 -1.274 6.984 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.368 -3.553 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.371 -2.074 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.021 -2.510 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.369 -0.900 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.566 -1.897 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.488 -0.712 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.879 -2.196 7.013 1.00 0.00 H new ATOM 120 N LYS A 9 -8.183 -1.773 10.134 1.00 0.00 N ATOM 121 CA LYS A 9 -9.142 -1.438 11.156 1.00 0.00 C ATOM 122 C LYS A 9 -9.080 0.065 11.334 1.00 0.00 C ATOM 123 O LYS A 9 -7.991 0.623 11.345 1.00 0.00 O ATOM 124 CB LYS A 9 -8.781 -2.146 12.470 1.00 0.00 C ATOM 125 CG LYS A 9 -8.827 -3.670 12.410 1.00 0.00 C ATOM 126 CD LYS A 9 -8.305 -4.301 13.688 1.00 0.00 C ATOM 127 CE LYS A 9 -9.121 -3.883 14.899 1.00 0.00 C ATOM 128 NZ LYS A 9 -8.628 -4.509 16.136 1.00 0.00 N ATOM 0 H LYS A 9 -7.333 -1.211 10.179 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.146 -1.756 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.779 -1.838 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.464 -1.806 13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.853 -3.996 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.234 -4.018 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.327 -5.387 13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.264 -4.015 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.087 -2.798 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.165 -4.156 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.211 -4.198 16.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.684 -5.544 16.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.640 -4.228 16.297 1.00 0.00 H new ATOM 142 N GLY A 10 -10.203 0.717 11.381 1.00 0.00 N ATOM 143 CA GLY A 10 -10.182 2.143 11.490 1.00 0.00 C ATOM 144 C GLY A 10 -11.433 2.690 12.099 1.00 0.00 C ATOM 145 O GLY A 10 -12.291 1.933 12.554 1.00 0.00 O ATOM 0 H GLY A 10 -11.130 0.293 11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.326 2.445 12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.044 2.578 10.500 1.00 0.00 H new ATOM 149 N ASP A 11 -11.546 4.012 12.050 1.00 0.00 N ATOM 150 CA ASP A 11 -12.740 4.709 12.550 1.00 0.00 C ATOM 151 C ASP A 11 -13.859 4.469 11.565 1.00 0.00 C ATOM 152 O ASP A 11 -14.979 4.146 11.931 1.00 0.00 O ATOM 153 CB ASP A 11 -12.492 6.212 12.692 1.00 0.00 C ATOM 154 CG ASP A 11 -13.648 6.944 13.359 1.00 0.00 C ATOM 155 OD1 ASP A 11 -14.641 7.303 12.678 1.00 0.00 O ATOM 156 OD2 ASP A 11 -13.559 7.216 14.572 1.00 0.00 O ATOM 0 H ASP A 11 -10.828 4.629 11.670 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.996 4.325 13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.584 6.372 13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.318 6.641 11.705 1.00 0.00 H new ATOM 161 N GLY A 12 -13.516 4.636 10.311 1.00 0.00 N ATOM 162 CA GLY A 12 -14.368 4.281 9.218 1.00 0.00 C ATOM 163 C GLY A 12 -13.849 2.972 8.696 1.00 0.00 C ATOM 164 O GLY A 12 -12.870 2.965 7.945 1.00 0.00 O ATOM 0 H GLY A 12 -12.620 5.030 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.404 4.187 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.347 5.046 8.442 1.00 0.00 H new ATOM 168 N PRO A 13 -14.426 1.840 9.120 1.00 0.00 N ATOM 169 CA PRO A 13 -13.844 0.554 8.866 1.00 0.00 C ATOM 170 C PRO A 13 -13.931 0.116 7.426 1.00 0.00 C ATOM 171 O PRO A 13 -15.008 0.088 6.800 1.00 0.00 O ATOM 172 CB PRO A 13 -14.630 -0.394 9.774 1.00 0.00 C ATOM 173 CG PRO A 13 -15.957 0.249 9.932 1.00 0.00 C ATOM 174 CD PRO A 13 -15.725 1.729 9.803 1.00 0.00 C ATOM 0 HA PRO A 13 -12.773 0.569 9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.721 -1.385 9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -14.135 -0.522 10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -16.653 -0.103 9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -16.394 0.007 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.518 2.206 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -15.703 2.214 10.779 1.00 0.00 H new ATOM 182 N VAL A 14 -12.805 -0.230 6.920 1.00 0.00 N ATOM 183 CA VAL A 14 -12.687 -0.793 5.651 1.00 0.00 C ATOM 184 C VAL A 14 -12.281 -2.216 5.886 1.00 0.00 C ATOM 185 O VAL A 14 -11.628 -2.529 6.897 1.00 0.00 O ATOM 186 CB VAL A 14 -11.644 -0.058 4.754 1.00 0.00 C ATOM 187 CG1 VAL A 14 -12.064 1.385 4.504 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.259 -0.103 5.370 1.00 0.00 C ATOM 0 H VAL A 14 -11.915 -0.120 7.406 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.629 -0.711 5.108 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.608 -0.580 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.321 1.877 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.031 1.401 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.141 1.912 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.555 0.418 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.279 0.381 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.946 -1.141 5.486 1.00 0.00 H new ATOM 198 N GLN A 15 -12.683 -3.066 5.049 1.00 0.00 N ATOM 199 CA GLN A 15 -12.396 -4.463 5.222 1.00 0.00 C ATOM 200 C GLN A 15 -11.692 -4.965 4.001 1.00 0.00 C ATOM 201 O GLN A 15 -12.243 -4.918 2.923 1.00 0.00 O ATOM 202 CB GLN A 15 -13.696 -5.223 5.438 1.00 0.00 C ATOM 203 CG GLN A 15 -14.468 -4.786 6.675 1.00 0.00 C ATOM 204 CD GLN A 15 -15.812 -5.446 6.767 1.00 0.00 C ATOM 205 OE1 GLN A 15 -15.940 -6.526 7.330 1.00 0.00 O ATOM 206 NE2 GLN A 15 -16.820 -4.802 6.239 1.00 0.00 N ATOM 0 H GLN A 15 -13.223 -2.841 4.214 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.757 -4.613 6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.331 -5.094 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.474 -6.287 5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.887 -5.023 7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.597 -3.704 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.667 -3.904 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.759 -5.197 6.287 1.00 0.00 H new ATOM 215 N GLY A 16 -10.493 -5.435 4.152 1.00 0.00 N ATOM 216 CA GLY A 16 -9.767 -5.883 3.030 1.00 0.00 C ATOM 217 C GLY A 16 -8.567 -6.650 3.421 1.00 0.00 C ATOM 218 O GLY A 16 -7.960 -6.358 4.450 1.00 0.00 O ATOM 0 H GLY A 16 -10.006 -5.514 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.409 -6.506 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.469 -5.027 2.425 1.00 0.00 H new ATOM 222 N ILE A 17 -8.224 -7.625 2.625 1.00 0.00 N ATOM 223 CA ILE A 17 -7.061 -8.428 2.859 1.00 0.00 C ATOM 224 C ILE A 17 -6.279 -8.489 1.574 1.00 0.00 C ATOM 225 O ILE A 17 -6.792 -8.917 0.552 1.00 0.00 O ATOM 226 CB ILE A 17 -7.390 -9.867 3.389 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.409 -10.591 2.485 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.879 -9.815 4.836 1.00 0.00 C ATOM 229 CD1 ILE A 17 -8.700 -12.015 2.899 1.00 0.00 C ATOM 0 H ILE A 17 -8.749 -7.885 1.790 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.475 -7.964 3.652 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.466 -10.445 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.342 -10.027 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.034 -10.591 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.101 -10.825 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.105 -9.378 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.781 -9.205 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.425 -12.452 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.779 -12.597 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.106 -12.024 3.910 1.00 0.00 H new ATOM 241 N ILE A 18 -5.085 -7.993 1.609 1.00 0.00 N ATOM 242 CA ILE A 18 -4.259 -7.926 0.430 1.00 0.00 C ATOM 243 C ILE A 18 -3.037 -8.811 0.569 1.00 0.00 C ATOM 244 O ILE A 18 -2.363 -8.776 1.595 1.00 0.00 O ATOM 245 CB ILE A 18 -3.864 -6.458 0.021 1.00 0.00 C ATOM 246 CG1 ILE A 18 -3.354 -5.574 1.202 1.00 0.00 C ATOM 247 CG2 ILE A 18 -4.984 -5.775 -0.725 1.00 0.00 C ATOM 248 CD1 ILE A 18 -4.442 -5.018 2.124 1.00 0.00 C ATOM 0 H ILE A 18 -4.647 -7.621 2.452 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.869 -8.306 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.010 -6.569 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.660 -6.163 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.789 -4.738 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.679 -4.763 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.214 -6.337 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.870 -5.731 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.982 -4.419 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.125 -4.396 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.995 -5.843 2.573 1.00 0.00 H new ATOM 260 N ASN A 19 -2.755 -9.600 -0.470 1.00 0.00 N ATOM 261 CA ASN A 19 -1.693 -10.602 -0.451 1.00 0.00 C ATOM 262 C ASN A 19 -0.562 -10.158 -1.347 1.00 0.00 C ATOM 263 O ASN A 19 -0.775 -9.975 -2.537 1.00 0.00 O ATOM 264 CB ASN A 19 -2.242 -11.939 -0.996 1.00 0.00 C ATOM 265 CG ASN A 19 -3.340 -12.577 -0.148 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.079 -13.431 0.681 1.00 0.00 O ATOM 267 ND2 ASN A 19 -4.578 -12.173 -0.359 1.00 0.00 N ATOM 0 H ASN A 19 -3.262 -9.559 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.337 -10.724 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.630 -11.773 -2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.416 -12.645 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.345 -12.577 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.768 -11.456 -1.059 1.00 0.00 H new ATOM 274 N PHE A 20 0.624 -9.985 -0.797 1.00 0.00 N ATOM 275 CA PHE A 20 1.770 -9.569 -1.578 1.00 0.00 C ATOM 276 C PHE A 20 2.874 -10.596 -1.491 1.00 0.00 C ATOM 277 O PHE A 20 3.137 -11.152 -0.420 1.00 0.00 O ATOM 278 CB PHE A 20 2.302 -8.194 -1.128 1.00 0.00 C ATOM 279 CG PHE A 20 1.459 -7.008 -1.535 1.00 0.00 C ATOM 280 CD1 PHE A 20 0.313 -6.666 -0.837 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.831 -6.227 -2.621 1.00 0.00 C ATOM 282 CE1 PHE A 20 -0.444 -5.571 -1.210 1.00 0.00 C ATOM 283 CE2 PHE A 20 1.079 -5.130 -2.998 1.00 0.00 C ATOM 284 CZ PHE A 20 -0.060 -4.803 -2.292 1.00 0.00 C ATOM 0 H PHE A 20 0.819 -10.127 0.194 1.00 0.00 H new ATOM 0 HA PHE A 20 1.439 -9.481 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.394 -8.197 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.305 -8.061 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.007 -7.262 0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.720 -6.480 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.335 -5.316 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.383 -4.530 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.651 -3.948 -2.585 1.00 0.00 H new ATOM 294 N GLU A 21 3.480 -10.865 -2.608 1.00 0.00 N ATOM 295 CA GLU A 21 4.605 -11.749 -2.682 1.00 0.00 C ATOM 296 C GLU A 21 5.865 -10.942 -2.940 1.00 0.00 C ATOM 297 O GLU A 21 5.848 -10.009 -3.722 1.00 0.00 O ATOM 298 CB GLU A 21 4.394 -12.852 -3.749 1.00 0.00 C ATOM 299 CG GLU A 21 3.915 -12.358 -5.104 1.00 0.00 C ATOM 300 CD GLU A 21 3.757 -13.469 -6.118 1.00 0.00 C ATOM 301 OE1 GLU A 21 3.198 -14.531 -5.783 1.00 0.00 O ATOM 302 OE2 GLU A 21 4.149 -13.278 -7.296 1.00 0.00 O ATOM 0 H GLU A 21 3.203 -10.471 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 21 4.713 -12.265 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.334 -13.387 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.671 -13.572 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.960 -11.848 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.622 -11.622 -5.487 1.00 0.00 H new ATOM 309 N GLN A 22 6.882 -11.239 -2.212 1.00 0.00 N ATOM 310 CA GLN A 22 8.145 -10.618 -2.336 1.00 0.00 C ATOM 311 C GLN A 22 9.208 -11.672 -2.506 1.00 0.00 C ATOM 312 O GLN A 22 9.472 -12.483 -1.610 1.00 0.00 O ATOM 313 CB GLN A 22 8.404 -9.600 -1.192 1.00 0.00 C ATOM 314 CG GLN A 22 7.727 -9.903 0.156 1.00 0.00 C ATOM 315 CD GLN A 22 8.345 -11.022 0.961 1.00 0.00 C ATOM 316 OE1 GLN A 22 7.637 -11.741 1.674 1.00 0.00 O ATOM 317 NE2 GLN A 22 9.643 -11.145 0.933 1.00 0.00 N ATOM 0 H GLN A 22 6.851 -11.952 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 22 8.172 -10.005 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.480 -9.536 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.074 -8.617 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.739 -8.996 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.681 -10.148 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.200 -10.536 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.101 -11.850 1.510 1.00 0.00 H new ATOM 326 N LYS A 23 9.786 -11.699 -3.664 1.00 0.00 N ATOM 327 CA LYS A 23 10.696 -12.739 -3.991 1.00 0.00 C ATOM 328 C LYS A 23 11.897 -12.177 -4.721 1.00 0.00 C ATOM 329 O LYS A 23 11.791 -11.170 -5.437 1.00 0.00 O ATOM 330 CB LYS A 23 9.986 -13.814 -4.837 1.00 0.00 C ATOM 331 CG LYS A 23 10.741 -15.126 -4.918 1.00 0.00 C ATOM 332 CD LYS A 23 10.006 -16.162 -5.739 1.00 0.00 C ATOM 333 CE LYS A 23 10.704 -17.518 -5.659 1.00 0.00 C ATOM 334 NZ LYS A 23 12.113 -17.455 -6.115 1.00 0.00 N ATOM 0 H LYS A 23 9.640 -11.007 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 23 11.050 -13.205 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.998 -14.000 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.836 -13.429 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.724 -14.950 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.904 -15.512 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.981 -16.255 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.952 -15.837 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.673 -17.880 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.160 -18.240 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.413 -18.394 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.196 -16.771 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.720 -17.156 -5.326 1.00 0.00 H new ATOM 348 N GLU A 24 13.020 -12.836 -4.515 1.00 0.00 N ATOM 349 CA GLU A 24 14.327 -12.504 -5.094 1.00 0.00 C ATOM 350 C GLU A 24 14.207 -12.322 -6.605 1.00 0.00 C ATOM 351 O GLU A 24 14.751 -11.382 -7.168 1.00 0.00 O ATOM 352 CB GLU A 24 15.352 -13.646 -4.864 1.00 0.00 C ATOM 353 CG GLU A 24 15.277 -14.406 -3.534 1.00 0.00 C ATOM 354 CD GLU A 24 14.069 -15.315 -3.461 1.00 0.00 C ATOM 355 OE1 GLU A 24 14.008 -16.316 -4.221 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.114 -14.987 -2.723 1.00 0.00 O ATOM 0 H GLU A 24 13.058 -13.658 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 24 14.662 -11.588 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.237 -14.369 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.353 -13.223 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.183 -14.998 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.242 -13.692 -2.711 1.00 0.00 H new ATOM 363 N SER A 25 13.479 -13.241 -7.226 1.00 0.00 N ATOM 364 CA SER A 25 13.261 -13.291 -8.663 1.00 0.00 C ATOM 365 C SER A 25 12.765 -11.950 -9.213 1.00 0.00 C ATOM 366 O SER A 25 13.285 -11.456 -10.221 1.00 0.00 O ATOM 367 CB SER A 25 12.234 -14.378 -8.921 1.00 0.00 C ATOM 368 OG SER A 25 12.588 -15.557 -8.202 1.00 0.00 O ATOM 0 H SER A 25 13.010 -13.996 -6.726 1.00 0.00 H new ATOM 0 HA SER A 25 14.202 -13.505 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.245 -14.037 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.180 -14.594 -9.988 1.00 0.00 H new ATOM 0 HG SER A 25 12.565 -16.328 -8.806 1.00 0.00 H new ATOM 374 N ASN A 26 11.796 -11.366 -8.503 1.00 0.00 N ATOM 375 CA ASN A 26 11.169 -10.098 -8.861 1.00 0.00 C ATOM 376 C ASN A 26 10.543 -10.144 -10.259 1.00 0.00 C ATOM 377 O ASN A 26 11.173 -9.815 -11.261 1.00 0.00 O ATOM 378 CB ASN A 26 12.140 -8.910 -8.683 1.00 0.00 C ATOM 379 CG ASN A 26 11.517 -7.545 -8.951 1.00 0.00 C ATOM 380 OD1 ASN A 26 10.915 -6.932 -8.059 1.00 0.00 O ATOM 381 ND2 ASN A 26 11.687 -7.039 -10.144 1.00 0.00 N ATOM 0 H ASN A 26 11.420 -11.773 -7.646 1.00 0.00 H new ATOM 0 HA ASN A 26 10.348 -9.934 -8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.531 -8.925 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.989 -9.047 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.319 -6.113 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.188 -7.570 -10.857 1.00 0.00 H new ATOM 388 N GLY A 27 9.309 -10.580 -10.306 1.00 0.00 N ATOM 389 CA GLY A 27 8.604 -10.740 -11.552 1.00 0.00 C ATOM 390 C GLY A 27 7.240 -10.139 -11.481 1.00 0.00 C ATOM 391 O GLY A 27 7.045 -9.160 -10.754 1.00 0.00 O ATOM 0 H GLY A 27 8.765 -10.834 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.170 -10.270 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.525 -11.800 -11.795 1.00 0.00 H new ATOM 395 N PRO A 28 6.290 -10.647 -12.238 1.00 0.00 N ATOM 396 CA PRO A 28 4.913 -10.215 -12.141 1.00 0.00 C ATOM 397 C PRO A 28 4.378 -10.658 -10.800 1.00 0.00 C ATOM 398 O PRO A 28 4.474 -11.838 -10.446 1.00 0.00 O ATOM 399 CB PRO A 28 4.204 -10.968 -13.275 1.00 0.00 C ATOM 400 CG PRO A 28 5.300 -11.467 -14.148 1.00 0.00 C ATOM 401 CD PRO A 28 6.469 -11.679 -13.249 1.00 0.00 C ATOM 0 HA PRO A 28 4.778 -9.137 -12.223 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.602 -11.790 -12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.530 -10.311 -13.824 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.014 -12.395 -14.643 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.535 -10.747 -14.932 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.467 -12.678 -12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.414 -11.565 -13.780 1.00 0.00 H new ATOM 409 N VAL A 29 3.883 -9.728 -10.041 1.00 0.00 N ATOM 410 CA VAL A 29 3.417 -10.033 -8.725 1.00 0.00 C ATOM 411 C VAL A 29 2.029 -10.644 -8.781 1.00 0.00 C ATOM 412 O VAL A 29 1.151 -10.174 -9.513 1.00 0.00 O ATOM 413 CB VAL A 29 3.391 -8.760 -7.820 1.00 0.00 C ATOM 414 CG1 VAL A 29 2.380 -7.747 -8.328 1.00 0.00 C ATOM 415 CG2 VAL A 29 3.128 -9.107 -6.358 1.00 0.00 C ATOM 0 H VAL A 29 3.792 -8.749 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 29 4.112 -10.752 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 29 4.381 -8.308 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.384 -6.872 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.643 -7.447 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.386 -8.194 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.118 -8.194 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.164 -9.607 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.914 -9.768 -5.994 1.00 0.00 H new ATOM 425 N LYS A 30 1.849 -11.699 -8.085 1.00 0.00 N ATOM 426 CA LYS A 30 0.549 -12.208 -7.904 1.00 0.00 C ATOM 427 C LYS A 30 0.004 -11.638 -6.594 1.00 0.00 C ATOM 428 O LYS A 30 0.351 -12.097 -5.494 1.00 0.00 O ATOM 429 CB LYS A 30 0.518 -13.732 -7.927 1.00 0.00 C ATOM 430 CG LYS A 30 -0.887 -14.292 -7.741 1.00 0.00 C ATOM 431 CD LYS A 30 -0.937 -15.796 -7.892 1.00 0.00 C ATOM 432 CE LYS A 30 -2.355 -16.319 -7.694 1.00 0.00 C ATOM 433 NZ LYS A 30 -2.849 -16.098 -6.316 1.00 0.00 N ATOM 0 H LYS A 30 2.591 -12.230 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.087 -11.899 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.924 -14.086 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.166 -14.117 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.256 -14.017 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.556 -13.835 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.577 -16.078 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.270 -16.260 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.023 -15.826 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.381 -17.385 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.510 -16.859 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.046 -16.098 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.339 -15.182 -6.266 1.00 0.00 H new ATOM 447 N VAL A 31 -0.796 -10.610 -6.721 1.00 0.00 N ATOM 448 CA VAL A 31 -1.319 -9.882 -5.621 1.00 0.00 C ATOM 449 C VAL A 31 -2.839 -9.889 -5.709 1.00 0.00 C ATOM 450 O VAL A 31 -3.408 -9.659 -6.776 1.00 0.00 O ATOM 451 CB VAL A 31 -0.752 -8.410 -5.610 1.00 0.00 C ATOM 452 CG1 VAL A 31 -1.007 -7.694 -6.930 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.342 -7.598 -4.466 1.00 0.00 C ATOM 0 H VAL A 31 -1.104 -10.255 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.013 -10.352 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 31 0.325 -8.493 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.601 -6.684 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.523 -8.240 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.080 -7.645 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.931 -6.589 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.426 -7.551 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.093 -8.072 -3.517 1.00 0.00 H new ATOM 463 N TRP A 32 -3.477 -10.224 -4.626 1.00 0.00 N ATOM 464 CA TRP A 32 -4.916 -10.290 -4.564 1.00 0.00 C ATOM 465 C TRP A 32 -5.412 -9.671 -3.306 1.00 0.00 C ATOM 466 O TRP A 32 -4.933 -10.015 -2.216 1.00 0.00 O ATOM 467 CB TRP A 32 -5.410 -11.742 -4.641 1.00 0.00 C ATOM 468 CG TRP A 32 -5.432 -12.307 -6.021 1.00 0.00 C ATOM 469 CD1 TRP A 32 -4.396 -12.860 -6.720 1.00 0.00 C ATOM 470 CD2 TRP A 32 -6.571 -12.374 -6.873 1.00 0.00 C ATOM 471 NE1 TRP A 32 -4.827 -13.248 -7.962 1.00 0.00 N ATOM 472 CE2 TRP A 32 -6.162 -12.963 -8.077 1.00 0.00 C ATOM 473 CE3 TRP A 32 -7.908 -11.984 -6.729 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -7.036 -13.174 -9.133 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -8.774 -12.194 -7.776 1.00 0.00 C ATOM 476 CH2 TRP A 32 -8.337 -12.783 -8.964 1.00 0.00 C ATOM 0 H TRP A 32 -3.013 -10.462 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.306 -9.740 -5.420 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.771 -12.365 -4.015 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.415 -11.795 -4.223 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.388 -12.974 -6.349 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.248 -13.679 -8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.252 -11.527 -5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.703 -13.630 -10.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.808 -11.899 -7.678 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.042 -12.934 -9.768 1.00 0.00 H new ATOM 487 N GLY A 33 -6.293 -8.734 -3.435 1.00 0.00 N ATOM 488 CA GLY A 33 -6.924 -8.205 -2.290 1.00 0.00 C ATOM 489 C GLY A 33 -8.143 -7.432 -2.636 1.00 0.00 C ATOM 490 O GLY A 33 -8.172 -6.724 -3.648 1.00 0.00 O ATOM 0 H GLY A 33 -6.586 -8.326 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.189 -9.018 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.226 -7.561 -1.756 1.00 0.00 H new ATOM 494 N SER A 34 -9.144 -7.588 -1.840 1.00 0.00 N ATOM 495 CA SER A 34 -10.377 -6.946 -2.034 1.00 0.00 C ATOM 496 C SER A 34 -10.610 -6.003 -0.863 1.00 0.00 C ATOM 497 O SER A 34 -10.365 -6.390 0.268 1.00 0.00 O ATOM 498 CB SER A 34 -11.439 -8.020 -2.130 1.00 0.00 C ATOM 499 OG SER A 34 -11.079 -8.991 -3.113 1.00 0.00 O ATOM 0 H SER A 34 -9.116 -8.186 -1.014 1.00 0.00 H new ATOM 0 HA SER A 34 -10.403 -6.353 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.565 -8.504 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.398 -7.570 -2.388 1.00 0.00 H new ATOM 0 HG SER A 34 -11.151 -8.594 -4.006 1.00 0.00 H new ATOM 505 N ILE A 35 -11.050 -4.798 -1.110 1.00 0.00 N ATOM 506 CA ILE A 35 -11.310 -3.854 -0.035 1.00 0.00 C ATOM 507 C ILE A 35 -12.725 -3.345 -0.128 1.00 0.00 C ATOM 508 O ILE A 35 -13.225 -3.068 -1.213 1.00 0.00 O ATOM 509 CB ILE A 35 -10.263 -2.679 0.005 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.560 -1.696 1.163 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.191 -1.955 -1.332 1.00 0.00 C ATOM 512 CD1 ILE A 35 -9.559 -0.560 1.300 1.00 0.00 C ATOM 0 H ILE A 35 -11.239 -4.438 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.194 -4.384 0.910 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.284 -3.120 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.553 -1.272 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.587 -2.254 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.459 -1.150 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.893 -2.657 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.169 -1.539 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.845 0.079 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.565 -0.970 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.547 0.027 0.382 1.00 0.00 H new ATOM 524 N LYS A 36 -13.350 -3.277 1.002 1.00 0.00 N ATOM 525 CA LYS A 36 -14.697 -2.873 1.167 1.00 0.00 C ATOM 526 C LYS A 36 -14.633 -1.632 1.995 1.00 0.00 C ATOM 527 O LYS A 36 -13.938 -1.608 3.004 1.00 0.00 O ATOM 528 CB LYS A 36 -15.465 -3.995 1.859 1.00 0.00 C ATOM 529 CG LYS A 36 -15.346 -5.313 1.099 1.00 0.00 C ATOM 530 CD LYS A 36 -15.945 -6.472 1.847 1.00 0.00 C ATOM 531 CE LYS A 36 -15.695 -7.772 1.107 1.00 0.00 C ATOM 532 NZ LYS A 36 -16.260 -8.935 1.816 1.00 0.00 N ATOM 0 H LYS A 36 -12.900 -3.518 1.885 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.214 -2.673 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.086 -4.124 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.516 -3.718 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.840 -5.216 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.294 -5.519 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.515 -6.528 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.017 -6.318 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.131 -7.710 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.622 -7.914 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.065 -9.801 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.826 -9.012 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.288 -8.814 1.917 1.00 0.00 H new ATOM 546 N GLY A 37 -15.312 -0.644 1.579 1.00 0.00 N ATOM 547 CA GLY A 37 -15.125 0.665 2.107 1.00 0.00 C ATOM 548 C GLY A 37 -16.350 1.467 1.937 1.00 0.00 C ATOM 549 O GLY A 37 -17.357 0.952 1.432 1.00 0.00 O ATOM 0 H GLY A 37 -16.026 -0.708 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.866 0.604 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.291 1.152 1.602 1.00 0.00 H new ATOM 553 N LEU A 38 -16.339 2.655 2.453 1.00 0.00 N ATOM 554 CA LEU A 38 -17.439 3.570 2.266 1.00 0.00 C ATOM 555 C LEU A 38 -17.474 4.000 0.778 1.00 0.00 C ATOM 556 O LEU A 38 -16.561 3.664 0.013 1.00 0.00 O ATOM 557 CB LEU A 38 -17.317 4.802 3.193 1.00 0.00 C ATOM 558 CG LEU A 38 -17.404 4.574 4.725 1.00 0.00 C ATOM 559 CD1 LEU A 38 -18.661 3.812 5.108 1.00 0.00 C ATOM 560 CD2 LEU A 38 -16.149 3.908 5.295 1.00 0.00 C ATOM 0 H LEU A 38 -15.573 3.025 3.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.371 3.069 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.363 5.286 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -18.101 5.507 2.916 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.465 5.563 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.686 3.672 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.539 4.377 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.661 2.839 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.265 3.773 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.005 2.937 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.282 4.539 5.100 1.00 0.00 H new ATOM 572 N THR A 39 -18.514 4.694 0.358 1.00 0.00 N ATOM 573 CA THR A 39 -18.646 5.031 -1.051 1.00 0.00 C ATOM 574 C THR A 39 -17.596 6.060 -1.492 1.00 0.00 C ATOM 575 O THR A 39 -17.627 7.210 -1.071 1.00 0.00 O ATOM 576 CB THR A 39 -20.102 5.574 -1.349 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.216 6.086 -2.690 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.555 6.641 -0.349 1.00 0.00 C ATOM 0 H THR A 39 -19.268 5.031 0.957 1.00 0.00 H new ATOM 0 HA THR A 39 -18.477 4.120 -1.625 1.00 0.00 H new ATOM 0 HB THR A 39 -20.763 4.714 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.651 5.418 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.561 6.975 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.557 6.220 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.870 7.488 -0.386 1.00 0.00 H new ATOM 586 N GLU A 40 -16.643 5.598 -2.236 1.00 0.00 N ATOM 587 CA GLU A 40 -15.671 6.395 -2.894 1.00 0.00 C ATOM 588 C GLU A 40 -14.864 5.403 -3.664 1.00 0.00 C ATOM 589 O GLU A 40 -15.086 4.197 -3.499 1.00 0.00 O ATOM 590 CB GLU A 40 -14.795 7.216 -1.924 1.00 0.00 C ATOM 591 CG GLU A 40 -14.198 8.459 -2.575 1.00 0.00 C ATOM 592 CD GLU A 40 -13.432 9.327 -1.622 1.00 0.00 C ATOM 593 OE1 GLU A 40 -13.952 9.647 -0.534 1.00 0.00 O ATOM 594 OE2 GLU A 40 -12.299 9.726 -1.937 1.00 0.00 O ATOM 0 H GLU A 40 -16.520 4.600 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.134 7.154 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.395 7.514 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.989 6.586 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.537 8.152 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.000 9.045 -3.023 1.00 0.00 H new ATOM 601 N GLY A 41 -14.021 5.823 -4.488 1.00 0.00 N ATOM 602 CA GLY A 41 -13.102 4.910 -5.055 1.00 0.00 C ATOM 603 C GLY A 41 -12.338 5.514 -6.147 1.00 0.00 C ATOM 604 O GLY A 41 -12.875 5.693 -7.238 1.00 0.00 O ATOM 0 H GLY A 41 -13.931 6.790 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.417 4.558 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.639 4.037 -5.427 1.00 0.00 H new ATOM 608 N LEU A 42 -11.073 5.842 -5.888 1.00 0.00 N ATOM 609 CA LEU A 42 -10.285 6.477 -6.908 1.00 0.00 C ATOM 610 C LEU A 42 -9.176 5.595 -7.457 1.00 0.00 C ATOM 611 O LEU A 42 -9.428 4.853 -8.400 1.00 0.00 O ATOM 612 CB LEU A 42 -9.747 7.855 -6.497 1.00 0.00 C ATOM 613 CG LEU A 42 -10.748 9.016 -6.333 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.623 8.852 -5.110 1.00 0.00 C ATOM 615 CD2 LEU A 42 -10.012 10.339 -6.283 1.00 0.00 C ATOM 0 H LEU A 42 -10.594 5.679 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.989 6.642 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.219 7.736 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.008 8.157 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.406 9.002 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.311 9.695 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.192 7.926 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.998 8.817 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.730 11.151 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.323 10.340 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.452 10.479 -7.208 1.00 0.00 H new ATOM 627 N HIS A 43 -7.973 5.573 -6.834 1.00 0.00 N ATOM 628 CA HIS A 43 -6.877 4.832 -7.463 1.00 0.00 C ATOM 629 C HIS A 43 -5.608 4.770 -6.635 1.00 0.00 C ATOM 630 O HIS A 43 -5.027 5.789 -6.302 1.00 0.00 O ATOM 631 CB HIS A 43 -6.520 5.516 -8.790 1.00 0.00 C ATOM 632 CG HIS A 43 -5.565 4.789 -9.690 1.00 0.00 C ATOM 633 ND1 HIS A 43 -4.271 5.206 -9.920 1.00 0.00 N ATOM 634 CD2 HIS A 43 -5.741 3.697 -10.460 1.00 0.00 C ATOM 635 CE1 HIS A 43 -3.700 4.407 -10.778 1.00 0.00 C ATOM 636 NE2 HIS A 43 -4.565 3.483 -11.123 1.00 0.00 N ATOM 0 H HIS A 43 -7.753 6.033 -5.950 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.237 3.811 -7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.444 5.688 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.096 6.495 -8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.640 3.104 -10.538 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.687 4.492 -11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -4.388 2.725 -11.782 1.00 0.00 H new ATOM 645 N GLY A 44 -5.183 3.574 -6.353 1.00 0.00 N ATOM 646 CA GLY A 44 -3.832 3.383 -5.868 1.00 0.00 C ATOM 647 C GLY A 44 -3.651 3.135 -4.394 1.00 0.00 C ATOM 648 O GLY A 44 -4.307 3.746 -3.563 1.00 0.00 O ATOM 0 H GLY A 44 -5.736 2.722 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.397 2.541 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.251 4.266 -6.134 1.00 0.00 H new ATOM 652 N PHE A 45 -2.774 2.201 -4.106 1.00 0.00 N ATOM 653 CA PHE A 45 -2.287 1.933 -2.773 1.00 0.00 C ATOM 654 C PHE A 45 -0.977 2.655 -2.564 1.00 0.00 C ATOM 655 O PHE A 45 -0.387 3.152 -3.518 1.00 0.00 O ATOM 656 CB PHE A 45 -1.934 0.459 -2.585 1.00 0.00 C ATOM 657 CG PHE A 45 -2.968 -0.474 -2.052 1.00 0.00 C ATOM 658 CD1 PHE A 45 -3.907 -0.061 -1.133 1.00 0.00 C ATOM 659 CD2 PHE A 45 -2.965 -1.792 -2.449 1.00 0.00 C ATOM 660 CE1 PHE A 45 -4.838 -0.940 -0.625 1.00 0.00 C ATOM 661 CE2 PHE A 45 -3.882 -2.675 -1.944 1.00 0.00 C ATOM 662 CZ PHE A 45 -4.828 -2.247 -1.029 1.00 0.00 C ATOM 0 H PHE A 45 -2.368 1.589 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.075 2.245 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.611 0.073 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.073 0.410 -1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.913 0.968 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.232 -2.133 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.573 -0.599 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.867 -3.707 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.555 -2.942 -0.636 1.00 0.00 H new ATOM 672 N HIS A 46 -0.555 2.723 -1.304 1.00 0.00 N ATOM 673 CA HIS A 46 0.765 3.168 -0.882 1.00 0.00 C ATOM 674 C HIS A 46 0.942 2.925 0.569 1.00 0.00 C ATOM 675 O HIS A 46 0.550 3.781 1.394 1.00 0.00 O ATOM 676 CB HIS A 46 1.134 4.637 -1.175 1.00 0.00 C ATOM 677 CG HIS A 46 1.824 4.898 -2.466 1.00 0.00 C ATOM 678 ND1 HIS A 46 1.212 5.475 -3.527 1.00 0.00 N ATOM 679 CD2 HIS A 46 3.102 4.703 -2.838 1.00 0.00 C ATOM 680 CE1 HIS A 46 2.060 5.626 -4.492 1.00 0.00 C ATOM 681 NE2 HIS A 46 3.220 5.166 -4.112 1.00 0.00 N ATOM 0 H HIS A 46 -1.150 2.458 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 46 1.440 2.574 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.220 5.231 -1.149 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.771 4.997 -0.367 1.00 0.00 H new ATOM 0 HD1 HIS A 46 0.230 5.749 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.886 4.263 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.843 6.062 -5.456 1.00 0.00 H new ATOM 690 N VAL A 47 1.448 1.779 0.908 1.00 0.00 N ATOM 691 CA VAL A 47 1.888 1.513 2.265 1.00 0.00 C ATOM 692 C VAL A 47 3.125 2.365 2.493 1.00 0.00 C ATOM 693 O VAL A 47 3.646 2.927 1.536 1.00 0.00 O ATOM 694 CB VAL A 47 2.188 -0.049 2.492 1.00 0.00 C ATOM 695 CG1 VAL A 47 3.069 -0.632 1.420 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.840 -0.333 3.827 1.00 0.00 C ATOM 0 H VAL A 47 1.572 0.998 0.264 1.00 0.00 H new ATOM 0 HA VAL A 47 1.109 1.768 2.984 1.00 0.00 H new ATOM 0 HB VAL A 47 1.205 -0.519 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.239 -1.689 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.583 -0.523 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.024 -0.107 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.019 -1.404 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.789 0.200 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.183 -0.000 4.631 1.00 0.00 H new ATOM 706 N HIS A 48 3.532 2.588 3.709 1.00 0.00 N ATOM 707 CA HIS A 48 4.803 3.204 3.850 1.00 0.00 C ATOM 708 C HIS A 48 5.459 2.725 5.136 1.00 0.00 C ATOM 709 O HIS A 48 4.829 2.069 5.969 1.00 0.00 O ATOM 710 CB HIS A 48 4.812 4.778 3.610 1.00 0.00 C ATOM 711 CG HIS A 48 5.057 5.747 4.748 1.00 0.00 C ATOM 712 ND1 HIS A 48 4.948 5.451 6.068 1.00 0.00 N ATOM 713 CD2 HIS A 48 5.644 6.959 4.701 1.00 0.00 C ATOM 714 CE1 HIS A 48 5.479 6.423 6.760 1.00 0.00 C ATOM 715 NE2 HIS A 48 5.914 7.345 5.960 1.00 0.00 N ATOM 0 H HIS A 48 3.030 2.365 4.569 1.00 0.00 H new ATOM 0 HA HIS A 48 5.437 2.873 3.027 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.570 4.979 2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.848 5.038 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.860 7.523 3.806 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.546 6.454 7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.379 8.210 6.236 1.00 0.00 H new ATOM 724 N GLU A 49 6.661 3.077 5.280 1.00 0.00 N ATOM 725 CA GLU A 49 7.558 2.588 6.335 1.00 0.00 C ATOM 726 C GLU A 49 7.241 3.055 7.757 1.00 0.00 C ATOM 727 O GLU A 49 6.399 3.914 7.987 1.00 0.00 O ATOM 728 CB GLU A 49 9.011 2.925 6.008 1.00 0.00 C ATOM 729 CG GLU A 49 9.487 4.369 6.270 1.00 0.00 C ATOM 730 CD GLU A 49 8.667 5.461 5.617 1.00 0.00 C ATOM 731 OE1 GLU A 49 8.167 5.265 4.491 1.00 0.00 O ATOM 732 OE2 GLU A 49 8.524 6.550 6.241 1.00 0.00 O ATOM 0 H GLU A 49 7.111 3.747 4.656 1.00 0.00 H new ATOM 0 HA GLU A 49 7.391 1.511 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.649 2.252 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.178 2.702 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.493 4.540 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.518 4.460 5.927 1.00 0.00 H new ATOM 739 N PHE A 50 7.890 2.368 8.694 1.00 0.00 N ATOM 740 CA PHE A 50 7.927 2.670 10.100 1.00 0.00 C ATOM 741 C PHE A 50 6.582 2.322 10.665 1.00 0.00 C ATOM 742 O PHE A 50 6.104 2.904 11.639 1.00 0.00 O ATOM 743 CB PHE A 50 8.357 4.136 10.335 1.00 0.00 C ATOM 744 CG PHE A 50 9.048 4.358 11.652 1.00 0.00 C ATOM 745 CD1 PHE A 50 10.202 3.652 11.965 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.567 5.271 12.556 1.00 0.00 C ATOM 747 CE1 PHE A 50 10.851 3.855 13.166 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.209 5.479 13.760 1.00 0.00 C ATOM 749 CZ PHE A 50 10.352 4.769 14.066 1.00 0.00 C ATOM 0 H PHE A 50 8.434 1.536 8.465 1.00 0.00 H new ATOM 0 HA PHE A 50 8.679 2.079 10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.023 4.444 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.477 4.777 10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.597 2.935 11.260 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.675 5.834 12.323 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.747 3.299 13.399 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.816 6.198 14.463 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.854 4.930 15.009 1.00 0.00 H new ATOM 759 N GLY A 51 6.023 1.267 10.046 1.00 0.00 N ATOM 760 CA GLY A 51 4.708 0.759 10.387 1.00 0.00 C ATOM 761 C GLY A 51 4.587 0.363 11.827 1.00 0.00 C ATOM 762 O GLY A 51 5.583 -0.019 12.468 1.00 0.00 O ATOM 0 H GLY A 51 6.482 0.751 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.961 1.520 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.484 -0.103 9.759 1.00 0.00 H new ATOM 766 N ASP A 52 3.396 0.389 12.322 1.00 0.00 N ATOM 767 CA ASP A 52 3.183 0.174 13.742 1.00 0.00 C ATOM 768 C ASP A 52 1.890 -0.588 14.094 1.00 0.00 C ATOM 769 O ASP A 52 1.913 -1.805 14.201 1.00 0.00 O ATOM 770 CB ASP A 52 3.331 1.503 14.551 1.00 0.00 C ATOM 771 CG ASP A 52 2.435 2.640 14.070 1.00 0.00 C ATOM 772 OD1 ASP A 52 1.295 2.756 14.557 1.00 0.00 O ATOM 773 OD2 ASP A 52 2.847 3.430 13.196 1.00 0.00 O ATOM 0 H ASP A 52 2.548 0.555 11.780 1.00 0.00 H new ATOM 0 HA ASP A 52 3.982 -0.500 14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.110 1.302 15.599 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.370 1.830 14.501 1.00 0.00 H new ATOM 778 N ASN A 53 0.778 0.101 14.218 1.00 0.00 N ATOM 779 CA ASN A 53 -0.467 -0.513 14.688 1.00 0.00 C ATOM 780 C ASN A 53 -1.403 -0.894 13.535 1.00 0.00 C ATOM 781 O ASN A 53 -1.452 -0.224 12.503 1.00 0.00 O ATOM 782 CB ASN A 53 -1.167 0.435 15.677 1.00 0.00 C ATOM 783 CG ASN A 53 -2.442 -0.121 16.301 1.00 0.00 C ATOM 784 OD1 ASN A 53 -2.580 -1.328 16.515 1.00 0.00 O ATOM 785 ND2 ASN A 53 -3.382 0.748 16.576 1.00 0.00 N ATOM 0 H ASN A 53 0.699 1.095 14.001 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.212 -1.443 15.196 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.468 0.686 16.475 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.407 1.364 15.160 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.264 0.434 16.981 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.232 1.739 16.385 1.00 0.00 H new ATOM 792 N THR A 54 -2.162 -1.948 13.751 1.00 0.00 N ATOM 793 CA THR A 54 -3.057 -2.527 12.767 1.00 0.00 C ATOM 794 C THR A 54 -4.417 -1.765 12.707 1.00 0.00 C ATOM 795 O THR A 54 -5.283 -2.066 11.887 1.00 0.00 O ATOM 796 CB THR A 54 -3.299 -4.008 13.151 1.00 0.00 C ATOM 797 OG1 THR A 54 -2.038 -4.606 13.497 1.00 0.00 O ATOM 798 CG2 THR A 54 -3.889 -4.798 11.996 1.00 0.00 C ATOM 0 H THR A 54 -2.175 -2.442 14.643 1.00 0.00 H new ATOM 0 HA THR A 54 -2.600 -2.451 11.780 1.00 0.00 H new ATOM 0 HB THR A 54 -4.000 -4.030 13.986 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.178 -5.544 13.744 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.044 -5.832 12.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.843 -4.359 11.705 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.204 -4.771 11.149 1.00 0.00 H new ATOM 806 N ALA A 55 -4.579 -0.782 13.566 1.00 0.00 N ATOM 807 CA ALA A 55 -5.828 -0.030 13.633 1.00 0.00 C ATOM 808 C ALA A 55 -5.574 1.461 13.498 1.00 0.00 C ATOM 809 O ALA A 55 -6.435 2.283 13.809 1.00 0.00 O ATOM 810 CB ALA A 55 -6.549 -0.335 14.938 1.00 0.00 C ATOM 0 H ALA A 55 -3.866 -0.480 14.230 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.461 -0.337 12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.480 0.230 14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.769 -1.401 14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.915 -0.053 15.779 1.00 0.00 H new ATOM 816 N GLY A 56 -4.414 1.803 13.013 1.00 0.00 N ATOM 817 CA GLY A 56 -4.050 3.183 12.896 1.00 0.00 C ATOM 818 C GLY A 56 -2.601 3.335 13.179 1.00 0.00 C ATOM 819 O GLY A 56 -2.152 2.995 14.254 1.00 0.00 O ATOM 0 H GLY A 56 -3.705 1.143 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.276 3.547 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.633 3.785 13.593 1.00 0.00 H new ATOM 823 N CYS A 57 -1.865 3.770 12.225 1.00 0.00 N ATOM 824 CA CYS A 57 -0.438 3.873 12.364 1.00 0.00 C ATOM 825 C CYS A 57 0.039 5.282 12.735 1.00 0.00 C ATOM 826 O CYS A 57 -0.115 6.231 11.970 1.00 0.00 O ATOM 827 CB CYS A 57 0.206 3.362 11.117 1.00 0.00 C ATOM 828 SG CYS A 57 -0.527 4.048 9.587 1.00 0.00 S ATOM 0 H CYS A 57 -2.224 4.069 11.318 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.132 3.255 13.208 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.269 3.602 11.141 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.125 2.275 11.094 1.00 0.00 H new ATOM 833 N THR A 58 0.581 5.420 13.914 1.00 0.00 N ATOM 834 CA THR A 58 1.076 6.694 14.374 1.00 0.00 C ATOM 835 C THR A 58 2.469 7.023 13.802 1.00 0.00 C ATOM 836 O THR A 58 2.701 8.120 13.283 1.00 0.00 O ATOM 837 CB THR A 58 1.074 6.790 15.908 1.00 0.00 C ATOM 838 OG1 THR A 58 1.795 5.685 16.474 1.00 0.00 O ATOM 839 CG2 THR A 58 -0.348 6.813 16.445 1.00 0.00 C ATOM 0 H THR A 58 0.693 4.658 14.582 1.00 0.00 H new ATOM 0 HA THR A 58 0.384 7.445 13.993 1.00 0.00 H new ATOM 0 HB THR A 58 1.566 7.720 16.193 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.789 5.757 17.451 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.325 6.881 17.533 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.877 7.675 16.038 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.863 5.899 16.150 1.00 0.00 H new ATOM 847 N SER A 59 3.351 6.043 13.837 1.00 0.00 N ATOM 848 CA SER A 59 4.737 6.202 13.447 1.00 0.00 C ATOM 849 C SER A 59 4.891 6.171 11.925 1.00 0.00 C ATOM 850 O SER A 59 5.795 6.792 11.367 1.00 0.00 O ATOM 851 CB SER A 59 5.567 5.124 14.125 1.00 0.00 C ATOM 852 OG SER A 59 5.454 5.229 15.539 1.00 0.00 O ATOM 0 H SER A 59 3.120 5.098 14.143 1.00 0.00 H new ATOM 0 HA SER A 59 5.098 7.178 13.772 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.232 4.139 13.799 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.612 5.220 13.829 1.00 0.00 H new ATOM 0 HG SER A 59 5.992 4.528 15.963 1.00 0.00 H new ATOM 858 N ALA A 60 3.999 5.462 11.278 1.00 0.00 N ATOM 859 CA ALA A 60 3.880 5.435 9.855 1.00 0.00 C ATOM 860 C ALA A 60 3.207 6.684 9.340 1.00 0.00 C ATOM 861 O ALA A 60 3.044 6.863 8.135 1.00 0.00 O ATOM 862 CB ALA A 60 3.178 4.222 9.364 1.00 0.00 C ATOM 0 H ALA A 60 3.316 4.870 11.751 1.00 0.00 H new ATOM 0 HA ALA A 60 4.895 5.399 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.115 4.253 8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.730 3.333 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.173 4.188 9.784 1.00 0.00 H new ATOM 868 N GLY A 61 2.745 7.533 10.223 1.00 0.00 N ATOM 869 CA GLY A 61 2.185 8.741 9.730 1.00 0.00 C ATOM 870 C GLY A 61 3.092 10.006 9.814 1.00 0.00 C ATOM 871 O GLY A 61 2.637 11.011 10.336 1.00 0.00 O ATOM 0 H GLY A 61 2.748 7.412 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.906 8.589 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.266 8.942 10.280 1.00 0.00 H new ATOM 875 N PRO A 62 4.393 10.015 9.304 1.00 0.00 N ATOM 876 CA PRO A 62 5.077 11.255 9.032 1.00 0.00 C ATOM 877 C PRO A 62 4.893 11.560 7.543 1.00 0.00 C ATOM 878 O PRO A 62 5.443 12.512 7.008 1.00 0.00 O ATOM 879 CB PRO A 62 6.538 10.946 9.355 1.00 0.00 C ATOM 880 CG PRO A 62 6.701 9.510 9.021 1.00 0.00 C ATOM 881 CD PRO A 62 5.335 8.881 9.138 1.00 0.00 C ATOM 0 HA PRO A 62 4.718 12.112 9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.214 11.568 8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.760 11.136 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.098 9.390 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.407 9.032 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.094 8.297 8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.287 8.202 9.989 1.00 0.00 H new ATOM 889 N HIS A 63 4.116 10.669 6.890 1.00 0.00 N ATOM 890 CA HIS A 63 3.663 10.788 5.477 1.00 0.00 C ATOM 891 C HIS A 63 4.773 10.479 4.441 1.00 0.00 C ATOM 892 O HIS A 63 4.566 9.680 3.535 1.00 0.00 O ATOM 893 CB HIS A 63 3.055 12.192 5.172 1.00 0.00 C ATOM 894 CG HIS A 63 2.005 12.675 6.142 1.00 0.00 C ATOM 895 ND1 HIS A 63 2.291 13.533 7.179 1.00 0.00 N ATOM 896 CD2 HIS A 63 0.685 12.426 6.230 1.00 0.00 C ATOM 897 CE1 HIS A 63 1.197 13.779 7.861 1.00 0.00 C ATOM 898 NE2 HIS A 63 0.209 13.122 7.304 1.00 0.00 N ATOM 0 H HIS A 63 3.774 9.820 7.340 1.00 0.00 H new ATOM 0 HA HIS A 63 2.889 10.027 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.865 12.921 5.149 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.618 12.169 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.109 11.792 5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.123 14.414 8.732 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.760 13.129 7.622 1.00 0.00 H new ATOM 907 N PHE A 64 5.940 11.066 4.634 1.00 0.00 N ATOM 908 CA PHE A 64 7.039 11.050 3.658 1.00 0.00 C ATOM 909 C PHE A 64 7.701 9.659 3.470 1.00 0.00 C ATOM 910 O PHE A 64 8.263 9.093 4.407 1.00 0.00 O ATOM 911 CB PHE A 64 8.074 12.094 4.094 1.00 0.00 C ATOM 912 CG PHE A 64 9.196 12.322 3.130 1.00 0.00 C ATOM 913 CD1 PHE A 64 8.968 12.996 1.958 1.00 0.00 C ATOM 914 CD2 PHE A 64 10.473 11.869 3.399 1.00 0.00 C ATOM 915 CE1 PHE A 64 9.982 13.224 1.067 1.00 0.00 C ATOM 916 CE2 PHE A 64 11.498 12.095 2.509 1.00 0.00 C ATOM 917 CZ PHE A 64 11.253 12.773 1.338 1.00 0.00 C ATOM 0 H PHE A 64 6.165 11.579 5.486 1.00 0.00 H new ATOM 0 HA PHE A 64 6.621 11.292 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.562 13.042 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.496 11.786 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.973 13.352 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.669 11.333 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.784 13.759 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.494 11.740 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.054 12.950 0.635 1.00 0.00 H new ATOM 927 N ASN A 65 7.573 9.128 2.256 1.00 0.00 N ATOM 928 CA ASN A 65 8.169 7.858 1.824 1.00 0.00 C ATOM 929 C ASN A 65 9.205 8.112 0.687 1.00 0.00 C ATOM 930 O ASN A 65 8.855 8.272 -0.482 1.00 0.00 O ATOM 931 CB ASN A 65 7.067 6.832 1.432 1.00 0.00 C ATOM 932 CG ASN A 65 6.152 7.236 0.278 1.00 0.00 C ATOM 933 OD1 ASN A 65 6.361 6.838 -0.869 1.00 0.00 O ATOM 934 ND2 ASN A 65 5.148 8.035 0.568 1.00 0.00 N ATOM 0 H ASN A 65 7.034 9.582 1.519 1.00 0.00 H new ATOM 0 HA ASN A 65 8.714 7.412 2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.552 5.891 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.449 6.641 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.513 8.344 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.004 8.345 1.529 1.00 0.00 H new ATOM 941 N PRO A 66 10.495 8.207 1.039 1.00 0.00 N ATOM 942 CA PRO A 66 11.553 8.672 0.115 1.00 0.00 C ATOM 943 C PRO A 66 12.112 7.656 -0.916 1.00 0.00 C ATOM 944 O PRO A 66 12.710 8.062 -1.908 1.00 0.00 O ATOM 945 CB PRO A 66 12.667 9.092 1.074 1.00 0.00 C ATOM 946 CG PRO A 66 12.514 8.191 2.257 1.00 0.00 C ATOM 947 CD PRO A 66 11.042 7.882 2.378 1.00 0.00 C ATOM 0 HA PRO A 66 11.138 9.442 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.649 8.977 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.569 10.139 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.092 7.276 2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.884 8.674 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.874 6.836 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.571 8.481 3.157 1.00 0.00 H new ATOM 955 N LEU A 67 11.930 6.364 -0.718 1.00 0.00 N ATOM 956 CA LEU A 67 12.580 5.410 -1.585 1.00 0.00 C ATOM 957 C LEU A 67 11.742 5.119 -2.775 1.00 0.00 C ATOM 958 O LEU A 67 12.169 4.470 -3.738 1.00 0.00 O ATOM 959 CB LEU A 67 13.007 4.170 -0.811 1.00 0.00 C ATOM 960 CG LEU A 67 13.992 4.389 0.344 1.00 0.00 C ATOM 961 CD1 LEU A 67 14.333 3.068 1.001 1.00 0.00 C ATOM 962 CD2 LEU A 67 15.261 5.081 -0.141 1.00 0.00 C ATOM 0 H LEU A 67 11.351 5.961 0.019 1.00 0.00 H new ATOM 0 HA LEU A 67 13.501 5.848 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.112 3.693 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.456 3.467 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 67 13.513 5.036 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.033 3.238 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.424 2.610 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.788 2.403 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.941 5.224 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 15.744 4.465 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.006 6.050 -0.570 1.00 0.00 H new ATOM 974 N SER A 68 10.556 5.679 -2.761 1.00 0.00 N ATOM 975 CA SER A 68 9.707 5.752 -3.902 1.00 0.00 C ATOM 976 C SER A 68 10.290 6.899 -4.744 1.00 0.00 C ATOM 977 O SER A 68 9.608 7.842 -5.132 1.00 0.00 O ATOM 978 CB SER A 68 8.300 6.098 -3.427 1.00 0.00 C ATOM 979 OG SER A 68 7.874 5.195 -2.416 1.00 0.00 O ATOM 0 H SER A 68 10.153 6.105 -1.926 1.00 0.00 H new ATOM 0 HA SER A 68 9.654 4.824 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.281 7.118 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.608 6.062 -4.268 1.00 0.00 H new ATOM 0 HG SER A 68 7.196 5.627 -1.856 1.00 0.00 H new ATOM 985 N ARG A 69 11.565 6.725 -5.097 1.00 0.00 N ATOM 986 CA ARG A 69 12.396 7.744 -5.692 1.00 0.00 C ATOM 987 C ARG A 69 12.267 7.576 -7.182 1.00 0.00 C ATOM 988 O ARG A 69 13.044 8.059 -7.982 1.00 0.00 O ATOM 989 CB ARG A 69 13.831 7.525 -5.135 1.00 0.00 C ATOM 990 CG ARG A 69 14.798 8.721 -5.155 1.00 0.00 C ATOM 991 CD ARG A 69 15.453 8.954 -6.498 1.00 0.00 C ATOM 992 NE ARG A 69 16.235 7.783 -6.939 1.00 0.00 N ATOM 993 CZ ARG A 69 17.444 7.827 -7.501 1.00 0.00 C ATOM 994 NH1 ARG A 69 18.080 8.993 -7.651 1.00 0.00 N ATOM 995 NH2 ARG A 69 18.008 6.704 -7.924 1.00 0.00 N ATOM 0 H ARG A 69 12.052 5.838 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 69 12.116 8.771 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.742 7.184 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.290 6.714 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.255 9.620 -4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.573 8.562 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.688 9.180 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.106 9.825 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 69 15.816 6.863 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.641 9.858 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.004 9.018 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.518 5.816 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.932 6.728 -8.355 1.00 0.00 H new ATOM 1009 N LYS A 70 11.236 6.875 -7.517 1.00 0.00 N ATOM 1010 CA LYS A 70 10.838 6.657 -8.853 1.00 0.00 C ATOM 1011 C LYS A 70 9.326 6.731 -8.947 1.00 0.00 C ATOM 1012 O LYS A 70 8.675 5.709 -9.182 1.00 0.00 O ATOM 1013 CB LYS A 70 11.284 5.298 -9.396 1.00 0.00 C ATOM 1014 CG LYS A 70 12.316 5.323 -10.531 1.00 0.00 C ATOM 1015 CD LYS A 70 13.661 5.838 -10.072 1.00 0.00 C ATOM 1016 CE LYS A 70 14.718 5.689 -11.146 1.00 0.00 C ATOM 1017 NZ LYS A 70 16.059 6.017 -10.634 1.00 0.00 N ATOM 0 H LYS A 70 10.628 6.423 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 70 11.317 7.432 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.698 4.719 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.401 4.764 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.433 4.317 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.946 5.951 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.572 6.888 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.972 5.296 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.712 4.667 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.479 6.341 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.775 5.487 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.231 7.037 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.119 5.759 -9.628 1.00 0.00 H new ATOM 1031 N HIS A 71 8.773 7.912 -8.659 1.00 0.00 N ATOM 1032 CA HIS A 71 7.304 8.205 -8.666 1.00 0.00 C ATOM 1033 C HIS A 71 6.524 7.431 -7.588 1.00 0.00 C ATOM 1034 O HIS A 71 5.579 7.957 -7.022 1.00 0.00 O ATOM 1035 CB HIS A 71 6.659 7.975 -10.068 1.00 0.00 C ATOM 1036 CG HIS A 71 5.182 8.379 -10.187 1.00 0.00 C ATOM 1037 ND1 HIS A 71 4.757 9.547 -10.787 1.00 0.00 N ATOM 1038 CD2 HIS A 71 4.040 7.749 -9.785 1.00 0.00 C ATOM 1039 CE1 HIS A 71 3.436 9.614 -10.745 1.00 0.00 C ATOM 1040 NE2 HIS A 71 2.978 8.540 -10.140 1.00 0.00 N ATOM 0 H HIS A 71 9.334 8.725 -8.405 1.00 0.00 H new ATOM 0 HA HIS A 71 7.228 9.265 -8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.232 8.533 -10.809 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.751 6.919 -10.323 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.983 6.797 -9.278 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.834 10.418 -11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.995 8.330 -9.964 1.00 0.00 H new ATOM 1049 N GLY A 72 6.902 6.191 -7.340 1.00 0.00 N ATOM 1050 CA GLY A 72 6.193 5.366 -6.437 1.00 0.00 C ATOM 1051 C GLY A 72 5.007 4.757 -7.126 1.00 0.00 C ATOM 1052 O GLY A 72 4.088 4.329 -6.476 1.00 0.00 O ATOM 0 H GLY A 72 7.713 5.746 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.847 4.581 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.865 5.950 -5.577 1.00 0.00 H new ATOM 1056 N GLY A 73 5.050 4.716 -8.448 1.00 0.00 N ATOM 1057 CA GLY A 73 3.938 4.209 -9.209 1.00 0.00 C ATOM 1058 C GLY A 73 4.055 2.729 -9.454 1.00 0.00 C ATOM 1059 O GLY A 73 5.117 2.196 -9.275 1.00 0.00 O ATOM 0 H GLY A 73 5.844 5.028 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.009 4.417 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.883 4.732 -10.164 1.00 0.00 H new ATOM 1063 N PRO A 74 3.021 2.102 -10.084 1.00 0.00 N ATOM 1064 CA PRO A 74 2.860 0.618 -10.239 1.00 0.00 C ATOM 1065 C PRO A 74 3.846 0.061 -11.235 1.00 0.00 C ATOM 1066 O PRO A 74 3.850 -1.115 -11.573 1.00 0.00 O ATOM 1067 CB PRO A 74 1.423 0.454 -10.765 1.00 0.00 C ATOM 1068 CG PRO A 74 0.835 1.823 -10.728 1.00 0.00 C ATOM 1069 CD PRO A 74 1.983 2.775 -10.817 1.00 0.00 C ATOM 0 HA PRO A 74 3.039 0.085 -9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.418 0.050 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.853 -0.237 -10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.142 1.971 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.271 1.979 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.274 2.960 -11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.740 3.742 -10.376 1.00 0.00 H new ATOM 1077 N LYS A 75 4.652 0.959 -11.710 1.00 0.00 N ATOM 1078 CA LYS A 75 5.720 0.763 -12.651 1.00 0.00 C ATOM 1079 C LYS A 75 6.934 0.117 -11.917 1.00 0.00 C ATOM 1080 O LYS A 75 8.078 0.332 -12.269 1.00 0.00 O ATOM 1081 CB LYS A 75 6.074 2.136 -13.252 1.00 0.00 C ATOM 1082 CG LYS A 75 6.992 2.096 -14.460 1.00 0.00 C ATOM 1083 CD LYS A 75 7.271 3.488 -14.982 1.00 0.00 C ATOM 1084 CE LYS A 75 8.195 3.464 -16.185 1.00 0.00 C ATOM 1085 NZ LYS A 75 9.535 2.928 -15.865 1.00 0.00 N ATOM 0 H LYS A 75 4.575 1.936 -11.426 1.00 0.00 H new ATOM 0 HA LYS A 75 5.429 0.090 -13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.150 2.640 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.544 2.743 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.930 1.611 -14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.536 1.494 -15.247 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.332 3.969 -15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.719 4.090 -14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.745 2.859 -16.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.297 4.475 -16.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.179 3.104 -16.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.902 3.398 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.468 1.904 -15.694 1.00 0.00 H new ATOM 1099 N ASP A 76 6.626 -0.614 -10.870 1.00 0.00 N ATOM 1100 CA ASP A 76 7.500 -1.442 -10.058 1.00 0.00 C ATOM 1101 C ASP A 76 8.377 -0.697 -9.065 1.00 0.00 C ATOM 1102 O ASP A 76 9.244 -1.310 -8.449 1.00 0.00 O ATOM 1103 CB ASP A 76 8.261 -2.533 -10.865 1.00 0.00 C ATOM 1104 CG ASP A 76 9.498 -2.126 -11.671 1.00 0.00 C ATOM 1105 OD1 ASP A 76 10.600 -2.026 -11.110 1.00 0.00 O ATOM 1106 OD2 ASP A 76 9.414 -2.002 -12.910 1.00 0.00 O ATOM 0 H ASP A 76 5.665 -0.650 -10.530 1.00 0.00 H new ATOM 0 HA ASP A 76 6.801 -1.982 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.565 -3.310 -10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.551 -2.987 -11.556 1.00 0.00 H new ATOM 1111 N GLU A 77 8.087 0.615 -8.901 1.00 0.00 N ATOM 1112 CA GLU A 77 8.643 1.555 -7.871 1.00 0.00 C ATOM 1113 C GLU A 77 10.093 1.265 -7.479 1.00 0.00 C ATOM 1114 O GLU A 77 10.303 0.327 -6.687 1.00 0.00 O ATOM 1115 CB GLU A 77 7.824 1.569 -6.559 1.00 0.00 C ATOM 1116 CG GLU A 77 6.304 1.548 -6.662 1.00 0.00 C ATOM 1117 CD GLU A 77 5.741 0.144 -6.810 1.00 0.00 C ATOM 1118 OE1 GLU A 77 5.623 -0.535 -5.783 1.00 0.00 O ATOM 1119 OE2 GLU A 77 5.470 -0.298 -7.920 1.00 0.00 O ATOM 0 H GLU A 77 7.421 1.084 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 77 8.586 2.521 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.130 0.707 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.108 2.459 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.878 2.013 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.994 2.150 -7.516 1.00 0.00 H new ATOM 1126 N GLU A 78 11.063 2.135 -7.910 1.00 0.00 N ATOM 1127 CA GLU A 78 12.530 1.932 -7.632 1.00 0.00 C ATOM 1128 C GLU A 78 12.770 1.303 -6.288 1.00 0.00 C ATOM 1129 O GLU A 78 13.272 0.233 -6.215 1.00 0.00 O ATOM 1130 CB GLU A 78 13.334 3.226 -7.736 1.00 0.00 C ATOM 1131 CG GLU A 78 14.822 3.077 -7.406 1.00 0.00 C ATOM 1132 CD GLU A 78 15.574 4.380 -7.486 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.358 5.252 -6.648 1.00 0.00 O ATOM 1134 OE2 GLU A 78 16.394 4.561 -8.413 1.00 0.00 O ATOM 0 H GLU A 78 10.859 2.978 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 78 12.878 1.250 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.237 3.619 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.898 3.965 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.927 2.664 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.272 2.361 -8.094 1.00 0.00 H new ATOM 1141 N ARG A 79 12.386 1.935 -5.236 1.00 0.00 N ATOM 1142 CA ARG A 79 12.508 1.295 -3.965 1.00 0.00 C ATOM 1143 C ARG A 79 11.294 1.504 -3.146 1.00 0.00 C ATOM 1144 O ARG A 79 11.324 2.235 -2.202 1.00 0.00 O ATOM 1145 CB ARG A 79 13.805 1.659 -3.211 1.00 0.00 C ATOM 1146 CG ARG A 79 15.034 1.015 -3.800 1.00 0.00 C ATOM 1147 CD ARG A 79 16.312 1.479 -3.160 1.00 0.00 C ATOM 1148 NE ARG A 79 17.440 0.827 -3.807 1.00 0.00 N ATOM 1149 CZ ARG A 79 18.245 1.382 -4.714 1.00 0.00 C ATOM 1150 NH1 ARG A 79 18.140 2.680 -5.013 1.00 0.00 N ATOM 1151 NH2 ARG A 79 19.158 0.634 -5.312 1.00 0.00 N ATOM 0 H ARG A 79 11.992 2.876 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 79 12.593 0.226 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.931 2.742 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.709 1.357 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.955 -0.067 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.072 1.229 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 79 16.404 2.562 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.304 1.245 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 79 17.632 -0.140 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.439 3.256 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.760 3.095 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 79 19.240 -0.355 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.780 1.047 -6.007 1.00 0.00 H new ATOM 1165 N HIS A 80 10.172 0.973 -3.633 1.00 0.00 N ATOM 1166 CA HIS A 80 8.937 0.928 -2.875 1.00 0.00 C ATOM 1167 C HIS A 80 9.143 0.624 -1.415 1.00 0.00 C ATOM 1168 O HIS A 80 9.294 -0.514 -0.991 1.00 0.00 O ATOM 1169 CB HIS A 80 7.864 -0.003 -3.481 1.00 0.00 C ATOM 1170 CG HIS A 80 8.378 -1.254 -4.109 1.00 0.00 C ATOM 1171 ND1 HIS A 80 7.889 -1.718 -5.283 1.00 0.00 N ATOM 1172 CD2 HIS A 80 9.400 -2.062 -3.790 1.00 0.00 C ATOM 1173 CE1 HIS A 80 8.588 -2.733 -5.677 1.00 0.00 C ATOM 1174 NE2 HIS A 80 9.515 -2.970 -4.793 1.00 0.00 N ATOM 0 H HIS A 80 10.101 0.564 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 80 8.551 1.945 -2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.159 -0.275 -2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.305 0.556 -4.231 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.090 -1.326 -5.782 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.015 -2.002 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.429 -3.291 -6.588 1.00 0.00 H new ATOM 1183 N VAL A 81 9.221 1.708 -0.691 1.00 0.00 N ATOM 1184 CA VAL A 81 9.201 1.747 0.735 1.00 0.00 C ATOM 1185 C VAL A 81 7.728 1.648 1.122 1.00 0.00 C ATOM 1186 O VAL A 81 7.339 1.440 2.276 1.00 0.00 O ATOM 1187 CB VAL A 81 9.871 3.067 1.223 1.00 0.00 C ATOM 1188 CG1 VAL A 81 9.272 4.271 0.543 1.00 0.00 C ATOM 1189 CG2 VAL A 81 9.793 3.221 2.707 1.00 0.00 C ATOM 0 H VAL A 81 9.305 2.635 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 81 9.761 0.936 1.200 1.00 0.00 H new ATOM 0 HB VAL A 81 10.924 3.001 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.762 5.175 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.414 4.189 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.206 4.322 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.272 4.155 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.748 3.236 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.302 2.385 3.187 1.00 0.00 H new ATOM 1199 N GLY A 82 6.948 1.785 0.097 1.00 0.00 N ATOM 1200 CA GLY A 82 5.603 1.534 0.130 1.00 0.00 C ATOM 1201 C GLY A 82 5.290 0.520 -0.921 1.00 0.00 C ATOM 1202 O GLY A 82 6.002 -0.472 -1.052 1.00 0.00 O ATOM 0 H GLY A 82 7.282 2.092 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.309 1.165 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.041 2.451 -0.047 1.00 0.00 H new ATOM 1206 N ASP A 83 4.293 0.784 -1.685 1.00 0.00 N ATOM 1207 CA ASP A 83 3.879 -0.078 -2.788 1.00 0.00 C ATOM 1208 C ASP A 83 2.972 0.748 -3.632 1.00 0.00 C ATOM 1209 O ASP A 83 2.588 1.843 -3.193 1.00 0.00 O ATOM 1210 CB ASP A 83 3.019 -1.266 -2.265 1.00 0.00 C ATOM 1211 CG ASP A 83 1.541 -0.876 -2.008 1.00 0.00 C ATOM 1212 OD1 ASP A 83 1.262 -0.129 -1.021 1.00 0.00 O ATOM 1213 OD2 ASP A 83 0.664 -1.301 -2.806 1.00 0.00 O ATOM 0 H ASP A 83 3.715 1.617 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 83 4.755 -0.460 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.054 -2.079 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.455 -1.644 -1.340 1.00 0.00 H new ATOM 1218 N LEU A 84 2.683 0.317 -4.822 1.00 0.00 N ATOM 1219 CA LEU A 84 1.540 0.855 -5.476 1.00 0.00 C ATOM 1220 C LEU A 84 0.882 -0.222 -6.291 1.00 0.00 C ATOM 1221 O LEU A 84 1.194 -0.425 -7.475 1.00 0.00 O ATOM 1222 CB LEU A 84 1.805 2.120 -6.344 1.00 0.00 C ATOM 1223 CG LEU A 84 0.577 3.095 -6.570 1.00 0.00 C ATOM 1224 CD1 LEU A 84 0.928 4.241 -7.475 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -0.661 2.401 -7.104 1.00 0.00 C ATOM 0 H LEU A 84 3.208 -0.385 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 84 0.877 1.204 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.611 2.689 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.166 1.794 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 84 0.341 3.475 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.057 4.884 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.742 4.816 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.240 3.856 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.460 3.131 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.433 1.938 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.981 1.634 -6.399 1.00 0.00 H new ATOM 1237 N GLY A 85 0.008 -0.933 -5.641 1.00 0.00 N ATOM 1238 CA GLY A 85 -0.903 -1.772 -6.333 1.00 0.00 C ATOM 1239 C GLY A 85 -2.092 -0.910 -6.597 1.00 0.00 C ATOM 1240 O GLY A 85 -2.495 -0.150 -5.711 1.00 0.00 O ATOM 0 H GLY A 85 -0.087 -0.943 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.470 -2.144 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.171 -2.643 -5.735 1.00 0.00 H new ATOM 1244 N ASN A 86 -2.675 -0.935 -7.761 1.00 0.00 N ATOM 1245 CA ASN A 86 -3.702 0.037 -7.946 1.00 0.00 C ATOM 1246 C ASN A 86 -5.064 -0.465 -7.586 1.00 0.00 C ATOM 1247 O ASN A 86 -5.521 -1.513 -8.055 1.00 0.00 O ATOM 1248 CB ASN A 86 -3.621 0.848 -9.266 1.00 0.00 C ATOM 1249 CG ASN A 86 -3.845 0.109 -10.585 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -3.190 0.421 -11.566 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -4.786 -0.789 -10.649 1.00 0.00 N ATOM 0 H ASN A 86 -2.477 -1.565 -8.538 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.488 0.803 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.354 1.653 -9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.637 1.315 -9.309 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.991 -1.251 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.318 -1.031 -9.813 1.00 0.00 H new ATOM 1258 N VAL A 87 -5.728 0.322 -6.756 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.025 0.011 -6.172 1.00 0.00 C ATOM 1260 C VAL A 87 -8.073 0.930 -6.768 1.00 0.00 C ATOM 1261 O VAL A 87 -7.796 2.105 -6.952 1.00 0.00 O ATOM 1262 CB VAL A 87 -6.932 0.277 -4.646 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -8.237 0.035 -3.926 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -5.857 -0.571 -4.048 1.00 0.00 C ATOM 0 H VAL A 87 -5.367 1.228 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.296 -1.026 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.692 1.333 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.109 0.238 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.004 0.695 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.541 -1.003 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.796 -0.380 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.087 -1.623 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.902 -0.330 -4.514 1.00 0.00 H new ATOM 1274 N THR A 88 -9.250 0.401 -7.079 1.00 0.00 N ATOM 1275 CA THR A 88 -10.315 1.173 -7.669 1.00 0.00 C ATOM 1276 C THR A 88 -11.625 0.738 -7.043 1.00 0.00 C ATOM 1277 O THR A 88 -12.219 -0.279 -7.444 1.00 0.00 O ATOM 1278 CB THR A 88 -10.360 0.985 -9.218 1.00 0.00 C ATOM 1279 OG1 THR A 88 -10.191 -0.415 -9.550 1.00 0.00 O ATOM 1280 CG2 THR A 88 -9.283 1.809 -9.920 1.00 0.00 C ATOM 0 H THR A 88 -9.485 -0.580 -6.925 1.00 0.00 H new ATOM 0 HA THR A 88 -10.142 2.232 -7.478 1.00 0.00 H new ATOM 0 HB THR A 88 -11.332 1.335 -9.565 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.811 -0.955 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.348 1.651 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.432 2.866 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.300 1.499 -9.566 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.056 1.450 -6.028 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.236 1.080 -5.341 1.00 0.00 C ATOM 1290 C ALA A 89 -14.410 1.653 -6.016 1.00 0.00 C ATOM 1291 O ALA A 89 -14.371 2.761 -6.531 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.175 1.487 -3.882 1.00 0.00 C ATOM 0 H ALA A 89 -11.595 2.287 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.326 -0.006 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.097 1.189 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.327 0.997 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.057 2.568 -3.811 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.373 0.877 -6.126 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.600 1.334 -6.649 1.00 0.00 C ATOM 1300 C ASP A 90 -17.257 2.153 -5.564 1.00 0.00 C ATOM 1301 O ASP A 90 -16.926 1.977 -4.406 1.00 0.00 O ATOM 1302 CB ASP A 90 -17.460 0.141 -7.024 1.00 0.00 C ATOM 1303 CG ASP A 90 -18.724 0.534 -7.705 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -18.661 0.929 -8.886 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -19.790 0.456 -7.084 1.00 0.00 O ATOM 0 H ASP A 90 -15.357 -0.108 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.460 1.938 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.891 -0.521 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.698 -0.427 -6.125 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.109 3.072 -5.934 1.00 0.00 N ATOM 1311 CA LYS A 91 -18.946 3.904 -5.033 1.00 0.00 C ATOM 1312 C LYS A 91 -19.820 3.114 -3.981 1.00 0.00 C ATOM 1313 O LYS A 91 -20.831 3.621 -3.505 1.00 0.00 O ATOM 1314 CB LYS A 91 -19.819 4.842 -5.866 1.00 0.00 C ATOM 1315 CG LYS A 91 -20.690 4.136 -6.900 1.00 0.00 C ATOM 1316 CD LYS A 91 -21.581 5.120 -7.648 1.00 0.00 C ATOM 1317 CE LYS A 91 -20.774 6.153 -8.423 1.00 0.00 C ATOM 1318 NZ LYS A 91 -21.646 7.119 -9.107 1.00 0.00 N ATOM 0 H LYS A 91 -18.265 3.291 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.240 4.466 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.462 5.412 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.176 5.559 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.055 3.606 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.309 3.387 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.225 4.573 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.233 5.629 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.109 6.682 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -20.144 5.648 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.063 7.807 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -22.264 6.616 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -22.229 7.618 -8.405 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.429 1.919 -3.661 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.000 1.114 -2.594 1.00 0.00 C ATOM 1334 C ASP A 92 -18.870 0.511 -1.778 1.00 0.00 C ATOM 1335 O ASP A 92 -19.091 -0.313 -0.894 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.914 0.008 -3.124 1.00 0.00 C ATOM 1337 CG ASP A 92 -22.330 0.468 -3.337 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -22.660 0.936 -4.435 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -23.150 0.353 -2.391 1.00 0.00 O ATOM 0 H ASP A 92 -18.670 1.446 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 92 -20.617 1.762 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.514 -0.366 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -20.910 -0.826 -2.422 1.00 0.00 H new ATOM 1344 N GLY A 93 -17.656 0.969 -2.074 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.461 0.493 -1.426 1.00 0.00 C ATOM 1346 C GLY A 93 -16.159 -0.945 -1.755 1.00 0.00 C ATOM 1347 O GLY A 93 -16.483 -1.841 -0.972 1.00 0.00 O ATOM 0 H GLY A 93 -17.485 1.687 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.617 1.115 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.570 0.600 -0.347 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.576 -1.173 -2.913 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.234 -2.491 -3.354 1.00 0.00 C ATOM 1353 C VAL A 94 -14.205 -2.388 -4.463 1.00 0.00 C ATOM 1354 O VAL A 94 -14.466 -1.787 -5.511 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.479 -3.373 -3.751 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -17.335 -2.739 -4.837 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -16.046 -4.782 -4.144 1.00 0.00 C ATOM 0 H VAL A 94 -15.328 -0.437 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.797 -3.027 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.109 -3.438 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.176 -3.394 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.709 -1.776 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.734 -2.592 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -16.923 -5.370 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.368 -4.730 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.537 -5.254 -3.304 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.020 -2.841 -4.192 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.977 -2.848 -5.152 1.00 0.00 C ATOM 1369 C ALA A 95 -11.257 -4.142 -5.083 1.00 0.00 C ATOM 1370 O ALA A 95 -11.110 -4.705 -3.996 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.005 -1.746 -4.863 1.00 0.00 C ATOM 0 H ALA A 95 -12.754 -3.220 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.408 -2.705 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.208 -1.760 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.521 -0.786 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.578 -1.888 -3.870 1.00 0.00 H new ATOM 1377 N ASP A 96 -10.825 -4.611 -6.212 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.023 -5.810 -6.288 1.00 0.00 C ATOM 1379 C ASP A 96 -8.720 -5.433 -6.898 1.00 0.00 C ATOM 1380 O ASP A 96 -8.666 -4.966 -8.046 1.00 0.00 O ATOM 1381 CB ASP A 96 -10.671 -6.929 -7.120 1.00 0.00 C ATOM 1382 CG ASP A 96 -11.956 -7.461 -6.546 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.924 -8.165 -5.509 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -13.030 -7.212 -7.150 1.00 0.00 O ATOM 0 H ASP A 96 -11.015 -4.177 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.910 -6.209 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.863 -6.554 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.962 -7.751 -7.217 1.00 0.00 H new ATOM 1389 N VAL A 97 -7.686 -5.554 -6.150 1.00 0.00 N ATOM 1390 CA VAL A 97 -6.401 -5.193 -6.619 1.00 0.00 C ATOM 1391 C VAL A 97 -5.576 -6.414 -6.996 1.00 0.00 C ATOM 1392 O VAL A 97 -5.111 -7.180 -6.148 1.00 0.00 O ATOM 1393 CB VAL A 97 -5.653 -4.242 -5.632 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -5.599 -4.815 -4.232 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -4.249 -3.916 -6.131 1.00 0.00 C ATOM 0 H VAL A 97 -7.707 -5.907 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.546 -4.619 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.225 -3.315 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.071 -4.123 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.613 -4.965 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.075 -5.770 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.756 -3.252 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.674 -4.837 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.313 -3.426 -7.102 1.00 0.00 H new ATOM 1405 N SER A 98 -5.487 -6.621 -8.274 1.00 0.00 N ATOM 1406 CA SER A 98 -4.643 -7.615 -8.839 1.00 0.00 C ATOM 1407 C SER A 98 -4.019 -7.009 -10.075 1.00 0.00 C ATOM 1408 O SER A 98 -4.654 -6.906 -11.115 1.00 0.00 O ATOM 1409 CB SER A 98 -5.462 -8.863 -9.188 1.00 0.00 C ATOM 1410 OG SER A 98 -6.133 -9.341 -8.037 1.00 0.00 O ATOM 0 H SER A 98 -6.014 -6.088 -8.965 1.00 0.00 H new ATOM 0 HA SER A 98 -3.868 -7.925 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.185 -8.627 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.807 -9.638 -9.585 1.00 0.00 H new ATOM 0 HG SER A 98 -6.064 -10.318 -8.000 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.799 -6.571 -9.935 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.059 -5.887 -10.996 1.00 0.00 C ATOM 1418 C ILE A 99 -0.670 -6.467 -11.028 1.00 0.00 C ATOM 1419 O ILE A 99 -0.018 -6.541 -9.996 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.973 -4.342 -10.726 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -3.374 -3.697 -10.700 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -1.074 -3.633 -11.740 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -4.144 -3.798 -12.013 1.00 0.00 C ATOM 0 H ILE A 99 -2.268 -6.674 -9.070 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.571 -6.029 -11.947 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.521 -4.219 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.962 -4.168 -9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.270 -2.645 -10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.043 -2.567 -11.516 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.066 -4.045 -11.684 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.471 -3.781 -12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.117 -3.318 -11.902 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.582 -3.301 -12.804 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.284 -4.847 -12.273 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.222 -6.883 -12.182 1.00 0.00 N ATOM 1436 CA GLU A 100 1.038 -7.560 -12.274 1.00 0.00 C ATOM 1437 C GLU A 100 2.161 -6.699 -12.844 1.00 0.00 C ATOM 1438 O GLU A 100 2.195 -6.388 -14.044 1.00 0.00 O ATOM 1439 CB GLU A 100 0.886 -8.851 -13.057 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.077 -9.829 -12.411 1.00 0.00 C ATOM 1441 CD GLU A 100 -0.261 -11.071 -13.215 1.00 0.00 C ATOM 1442 OE1 GLU A 100 0.510 -12.023 -13.052 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -1.203 -11.122 -14.043 1.00 0.00 O ATOM 0 H GLU A 100 -0.712 -6.764 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 100 1.339 -7.790 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.538 -8.619 -14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.862 -9.325 -13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.291 -10.094 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.043 -9.344 -12.273 1.00 0.00 H new ATOM 1450 N ASP A 101 3.037 -6.296 -11.959 1.00 0.00 N ATOM 1451 CA ASP A 101 4.300 -5.630 -12.253 1.00 0.00 C ATOM 1452 C ASP A 101 5.123 -5.822 -11.006 1.00 0.00 C ATOM 1453 O ASP A 101 4.577 -6.313 -10.006 1.00 0.00 O ATOM 1454 CB ASP A 101 4.183 -4.148 -12.638 1.00 0.00 C ATOM 1455 CG ASP A 101 5.453 -3.650 -13.356 1.00 0.00 C ATOM 1456 OD1 ASP A 101 6.458 -4.421 -13.448 1.00 0.00 O ATOM 1457 OD2 ASP A 101 5.455 -2.531 -13.889 1.00 0.00 O ATOM 0 H ASP A 101 2.889 -6.426 -10.958 1.00 0.00 H new ATOM 0 HA ASP A 101 4.753 -6.065 -13.144 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.318 -4.006 -13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.012 -3.551 -11.743 1.00 0.00 H new ATOM 1462 N SER A 102 6.391 -5.536 -11.019 1.00 0.00 N ATOM 1463 CA SER A 102 7.206 -5.933 -9.915 1.00 0.00 C ATOM 1464 C SER A 102 7.147 -5.017 -8.676 1.00 0.00 C ATOM 1465 O SER A 102 8.050 -4.245 -8.401 1.00 0.00 O ATOM 1466 CB SER A 102 8.623 -6.148 -10.375 1.00 0.00 C ATOM 1467 OG SER A 102 8.650 -7.087 -11.443 1.00 0.00 O ATOM 0 H SER A 102 6.874 -5.039 -11.767 1.00 0.00 H new ATOM 0 HA SER A 102 6.778 -6.871 -9.561 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.056 -5.202 -10.700 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.232 -6.509 -9.547 1.00 0.00 H new ATOM 0 HG SER A 102 8.078 -7.851 -11.221 1.00 0.00 H new ATOM 1473 N VAL A 103 6.101 -5.189 -7.917 1.00 0.00 N ATOM 1474 CA VAL A 103 5.963 -4.595 -6.604 1.00 0.00 C ATOM 1475 C VAL A 103 6.496 -5.636 -5.630 1.00 0.00 C ATOM 1476 O VAL A 103 6.764 -5.367 -4.489 1.00 0.00 O ATOM 1477 CB VAL A 103 4.486 -4.196 -6.267 1.00 0.00 C ATOM 1478 CG1 VAL A 103 3.595 -5.396 -6.156 1.00 0.00 C ATOM 1479 CG2 VAL A 103 4.406 -3.354 -5.004 1.00 0.00 C ATOM 0 H VAL A 103 5.300 -5.757 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 103 6.518 -3.658 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 103 4.129 -3.590 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.580 -5.075 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.595 -5.938 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.961 -6.049 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.366 -3.097 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.809 -3.919 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 103 4.986 -2.441 -5.138 1.00 0.00 H new ATOM 1489 N ILE A 104 6.684 -6.837 -6.218 1.00 0.00 N ATOM 1490 CA ILE A 104 7.113 -8.134 -5.634 1.00 0.00 C ATOM 1491 C ILE A 104 8.513 -8.085 -4.904 1.00 0.00 C ATOM 1492 O ILE A 104 9.192 -9.100 -4.698 1.00 0.00 O ATOM 1493 CB ILE A 104 7.119 -9.178 -6.793 1.00 0.00 C ATOM 1494 CG1 ILE A 104 7.357 -10.627 -6.315 1.00 0.00 C ATOM 1495 CG2 ILE A 104 8.142 -8.770 -7.808 1.00 0.00 C ATOM 1496 CD1 ILE A 104 7.276 -11.666 -7.405 1.00 0.00 C ATOM 0 H ILE A 104 6.523 -6.936 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 104 6.411 -8.408 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 104 6.125 -9.182 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.340 -10.685 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.623 -10.868 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 104 8.155 -9.494 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.892 -7.785 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.125 -8.734 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 104 7.456 -12.654 -6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.285 -11.641 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.029 -11.456 -8.165 1.00 0.00 H new ATOM 1508 N SER A 105 8.926 -6.936 -4.550 1.00 0.00 N ATOM 1509 CA SER A 105 10.005 -6.787 -3.654 1.00 0.00 C ATOM 1510 C SER A 105 9.331 -6.561 -2.319 1.00 0.00 C ATOM 1511 O SER A 105 8.110 -6.443 -2.283 1.00 0.00 O ATOM 1512 CB SER A 105 10.861 -5.593 -4.022 1.00 0.00 C ATOM 1513 OG SER A 105 11.262 -5.638 -5.387 1.00 0.00 O ATOM 0 H SER A 105 8.522 -6.058 -4.876 1.00 0.00 H new ATOM 0 HA SER A 105 10.673 -7.648 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.305 -4.674 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.744 -5.567 -3.383 1.00 0.00 H new ATOM 0 HG SER A 105 11.811 -4.853 -5.593 1.00 0.00 H new ATOM 1519 N LEU A 106 10.042 -6.560 -1.232 1.00 0.00 N ATOM 1520 CA LEU A 106 9.383 -6.265 -0.016 1.00 0.00 C ATOM 1521 C LEU A 106 8.951 -4.819 -0.016 1.00 0.00 C ATOM 1522 O LEU A 106 9.752 -3.915 -0.267 1.00 0.00 O ATOM 1523 CB LEU A 106 10.181 -6.727 1.249 1.00 0.00 C ATOM 1524 CG LEU A 106 11.684 -6.377 1.382 1.00 0.00 C ATOM 1525 CD1 LEU A 106 11.923 -4.911 1.671 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.317 -7.230 2.460 1.00 0.00 C ATOM 0 H LEU A 106 11.041 -6.754 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 106 8.475 -6.864 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.673 -6.316 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.093 -7.812 1.310 1.00 0.00 H new ATOM 0 HG LEU A 106 12.148 -6.588 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.994 -4.726 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.512 -4.309 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.435 -4.640 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.374 -6.979 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.819 -7.043 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.215 -8.283 2.198 1.00 0.00 H new ATOM 1538 N SER A 107 7.657 -4.637 0.086 1.00 0.00 N ATOM 1539 CA SER A 107 7.054 -3.358 0.115 1.00 0.00 C ATOM 1540 C SER A 107 7.422 -2.692 1.411 1.00 0.00 C ATOM 1541 O SER A 107 6.797 -2.899 2.457 1.00 0.00 O ATOM 1542 CB SER A 107 5.543 -3.521 -0.009 1.00 0.00 C ATOM 1543 OG SER A 107 5.230 -4.367 -1.111 1.00 0.00 O ATOM 0 H SER A 107 6.990 -5.406 0.152 1.00 0.00 H new ATOM 0 HA SER A 107 7.402 -2.740 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.139 -3.944 0.910 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.074 -2.546 -0.144 1.00 0.00 H new ATOM 0 HG SER A 107 4.258 -4.467 -1.181 1.00 0.00 H new ATOM 1549 N GLY A 108 8.505 -2.003 1.359 1.00 0.00 N ATOM 1550 CA GLY A 108 8.987 -1.327 2.488 1.00 0.00 C ATOM 1551 C GLY A 108 10.454 -1.123 2.385 1.00 0.00 C ATOM 1552 O GLY A 108 11.130 -1.825 1.637 1.00 0.00 O ATOM 0 H GLY A 108 9.079 -1.898 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.486 -0.364 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.756 -1.898 3.387 1.00 0.00 H new ATOM 1556 N ASP A 109 10.951 -0.132 3.065 1.00 0.00 N ATOM 1557 CA ASP A 109 12.375 0.095 3.133 1.00 0.00 C ATOM 1558 C ASP A 109 13.037 -1.002 3.954 1.00 0.00 C ATOM 1559 O ASP A 109 14.127 -1.462 3.612 1.00 0.00 O ATOM 1560 CB ASP A 109 12.696 1.466 3.765 1.00 0.00 C ATOM 1561 CG ASP A 109 12.319 1.553 5.231 1.00 0.00 C ATOM 1562 OD1 ASP A 109 11.245 1.034 5.611 1.00 0.00 O ATOM 1563 OD2 ASP A 109 13.121 2.081 6.040 1.00 0.00 O ATOM 0 H ASP A 109 10.390 0.541 3.587 1.00 0.00 H new ATOM 0 HA ASP A 109 12.763 0.084 2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.762 1.667 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.168 2.245 3.214 1.00 0.00 H new ATOM 1568 N HIS A 110 12.382 -1.432 5.038 1.00 0.00 N ATOM 1569 CA HIS A 110 13.009 -2.406 5.895 1.00 0.00 C ATOM 1570 C HIS A 110 12.372 -3.787 5.764 1.00 0.00 C ATOM 1571 O HIS A 110 13.071 -4.771 5.603 1.00 0.00 O ATOM 1572 CB HIS A 110 12.965 -1.914 7.342 1.00 0.00 C ATOM 1573 CG HIS A 110 13.873 -2.642 8.277 1.00 0.00 C ATOM 1574 ND1 HIS A 110 13.440 -3.265 9.421 1.00 0.00 N ATOM 1575 CD2 HIS A 110 15.218 -2.785 8.262 1.00 0.00 C ATOM 1576 CE1 HIS A 110 14.471 -3.753 10.066 1.00 0.00 C ATOM 1577 NE2 HIS A 110 15.558 -3.477 9.384 1.00 0.00 N ATOM 0 H HIS A 110 11.452 -1.126 5.324 1.00 0.00 H new ATOM 0 HA HIS A 110 14.047 -2.516 5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 110 13.222 -0.855 7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.942 -2.000 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.894 -2.419 7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.433 -4.292 11.001 1.00 0.00 H new ATOM 0 HE2 HIS A 110 16.507 -3.739 9.652 1.00 0.00 H new ATOM 1586 N SER A 111 11.056 -3.870 5.816 1.00 0.00 N ATOM 1587 CA SER A 111 10.376 -5.162 5.728 1.00 0.00 C ATOM 1588 C SER A 111 8.926 -4.917 5.397 1.00 0.00 C ATOM 1589 O SER A 111 8.448 -3.813 5.595 1.00 0.00 O ATOM 1590 CB SER A 111 10.427 -5.900 7.088 1.00 0.00 C ATOM 1591 OG SER A 111 11.748 -5.987 7.625 1.00 0.00 O ATOM 0 H SER A 111 10.434 -3.068 5.918 1.00 0.00 H new ATOM 0 HA SER A 111 10.868 -5.766 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.784 -5.383 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.023 -6.905 6.965 1.00 0.00 H new ATOM 0 HG SER A 111 11.722 -6.460 8.483 1.00 0.00 H new ATOM 1597 N ILE A 112 8.243 -5.929 4.880 1.00 0.00 N ATOM 1598 CA ILE A 112 6.810 -5.850 4.686 1.00 0.00 C ATOM 1599 C ILE A 112 6.128 -5.939 6.044 1.00 0.00 C ATOM 1600 O ILE A 112 5.277 -5.142 6.375 1.00 0.00 O ATOM 1601 CB ILE A 112 6.214 -6.945 3.710 1.00 0.00 C ATOM 1602 CG1 ILE A 112 6.533 -8.426 4.100 1.00 0.00 C ATOM 1603 CG2 ILE A 112 6.574 -6.677 2.277 1.00 0.00 C ATOM 1604 CD1 ILE A 112 7.985 -8.878 3.981 1.00 0.00 C ATOM 0 H ILE A 112 8.662 -6.812 4.589 1.00 0.00 H new ATOM 0 HA ILE A 112 6.614 -4.894 4.200 1.00 0.00 H new ATOM 0 HB ILE A 112 5.135 -6.844 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.214 -8.581 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.923 -9.079 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.145 -7.453 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.181 -5.705 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.659 -6.678 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.067 -9.923 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.316 -8.770 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.611 -8.264 4.629 1.00 0.00 H new ATOM 1616 N ILE A 113 6.554 -6.893 6.855 1.00 0.00 N ATOM 1617 CA ILE A 113 6.025 -7.020 8.186 1.00 0.00 C ATOM 1618 C ILE A 113 6.488 -5.802 8.979 1.00 0.00 C ATOM 1619 O ILE A 113 7.659 -5.441 8.939 1.00 0.00 O ATOM 1620 CB ILE A 113 6.468 -8.366 8.869 1.00 0.00 C ATOM 1621 CG1 ILE A 113 5.938 -8.488 10.308 1.00 0.00 C ATOM 1622 CG2 ILE A 113 7.974 -8.556 8.832 1.00 0.00 C ATOM 1623 CD1 ILE A 113 4.430 -8.556 10.410 1.00 0.00 C ATOM 0 H ILE A 113 7.262 -7.584 6.609 1.00 0.00 H new ATOM 0 HA ILE A 113 4.936 -7.056 8.154 1.00 0.00 H new ATOM 0 HB ILE A 113 6.018 -9.167 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.362 -9.382 10.765 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.292 -7.635 10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.234 -9.498 9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.313 -8.573 7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.458 -7.733 9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.140 -8.641 11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.995 -7.651 9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.067 -9.425 9.861 1.00 0.00 H new ATOM 1635 N GLY A 114 5.562 -5.113 9.594 1.00 0.00 N ATOM 1636 CA GLY A 114 5.919 -3.937 10.307 1.00 0.00 C ATOM 1637 C GLY A 114 5.781 -2.717 9.430 1.00 0.00 C ATOM 1638 O GLY A 114 6.297 -1.666 9.743 1.00 0.00 O ATOM 0 H GLY A 114 4.570 -5.350 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.283 -3.832 11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.946 -4.020 10.664 1.00 0.00 H new ATOM 1642 N ARG A 115 5.152 -2.869 8.292 1.00 0.00 N ATOM 1643 CA ARG A 115 4.856 -1.750 7.435 1.00 0.00 C ATOM 1644 C ARG A 115 3.340 -1.604 7.384 1.00 0.00 C ATOM 1645 O ARG A 115 2.635 -2.557 7.077 1.00 0.00 O ATOM 1646 CB ARG A 115 5.422 -1.963 6.017 1.00 0.00 C ATOM 1647 CG ARG A 115 6.335 -0.837 5.507 1.00 0.00 C ATOM 1648 CD ARG A 115 7.783 -0.922 6.042 1.00 0.00 C ATOM 1649 NE ARG A 115 7.894 -0.957 7.519 1.00 0.00 N ATOM 1650 CZ ARG A 115 8.993 -0.653 8.238 1.00 0.00 C ATOM 1651 NH1 ARG A 115 10.020 -0.023 7.685 1.00 0.00 N ATOM 1652 NH2 ARG A 115 9.020 -0.914 9.537 1.00 0.00 N ATOM 0 H ARG A 115 4.832 -3.769 7.935 1.00 0.00 H new ATOM 0 HA ARG A 115 5.321 -0.847 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.981 -2.899 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.589 -2.078 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 115 6.357 -0.864 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 115 5.907 0.124 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.255 -1.816 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 115 8.345 -0.066 5.669 1.00 0.00 H new ATOM 0 HE ARG A 115 7.063 -1.237 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.987 0.240 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.843 0.199 8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 115 8.212 -1.343 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 115 9.849 -0.686 10.086 1.00 0.00 H new ATOM 1666 N THR A 116 2.839 -0.471 7.770 1.00 0.00 N ATOM 1667 CA THR A 116 1.443 -0.242 7.752 1.00 0.00 C ATOM 1668 C THR A 116 1.014 0.534 6.503 1.00 0.00 C ATOM 1669 O THR A 116 1.679 1.524 6.068 1.00 0.00 O ATOM 1670 CB THR A 116 1.015 0.450 9.030 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.913 1.502 9.287 1.00 0.00 O ATOM 1672 CG2 THR A 116 1.023 -0.502 10.204 1.00 0.00 C ATOM 0 H THR A 116 3.394 0.316 8.105 1.00 0.00 H new ATOM 0 HA THR A 116 0.934 -1.204 7.703 1.00 0.00 H new ATOM 0 HB THR A 116 -0.002 0.822 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.214 1.890 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.711 0.028 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.335 -1.325 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.029 -0.896 10.346 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.056 0.060 5.927 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.592 0.541 4.678 1.00 0.00 C ATOM 1682 C LEU A 117 -1.287 1.882 4.850 1.00 0.00 C ATOM 1683 O LEU A 117 -2.372 1.926 5.384 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.602 -0.505 4.169 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.271 -0.272 2.814 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -1.261 -0.263 1.680 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.328 -1.332 2.574 1.00 0.00 C ATOM 0 H LEU A 117 -0.602 -0.702 6.329 1.00 0.00 H new ATOM 0 HA LEU A 117 0.221 0.684 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.090 -1.466 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.390 -0.597 4.917 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.742 0.711 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.777 -0.095 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.536 0.534 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.744 -1.222 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.802 -1.161 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.863 -2.318 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.081 -1.280 3.361 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.661 3.000 4.455 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.432 4.243 4.546 1.00 0.00 C ATOM 1701 C VAL A 118 -2.155 4.588 3.246 1.00 0.00 C ATOM 1702 O VAL A 118 -1.573 5.311 2.294 1.00 0.00 O ATOM 1703 CB VAL A 118 -0.587 5.432 4.997 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -0.239 5.286 6.456 1.00 0.00 C ATOM 1705 CG2 VAL A 118 0.723 5.517 4.202 1.00 0.00 C ATOM 0 H VAL A 118 0.292 3.072 4.100 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.183 4.049 5.312 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.172 6.336 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.364 6.137 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.154 5.250 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.326 4.366 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.303 6.374 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.300 4.604 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.498 5.633 3.142 1.00 0.00 H new ATOM 1715 N VAL A 119 -3.406 4.197 3.225 1.00 0.00 N ATOM 1716 CA VAL A 119 -4.300 4.332 2.109 1.00 0.00 C ATOM 1717 C VAL A 119 -5.728 4.472 2.659 1.00 0.00 C ATOM 1718 O VAL A 119 -5.925 4.424 3.857 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.216 3.101 1.154 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -4.904 1.878 1.756 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -4.763 3.440 -0.237 1.00 0.00 C ATOM 0 H VAL A 119 -3.848 3.753 4.030 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.019 5.211 1.529 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.163 2.845 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.826 1.039 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.423 1.617 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.955 2.104 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.691 2.563 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.806 3.744 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.181 4.254 -0.668 1.00 0.00 H new ATOM 1731 N HIS A 120 -6.647 4.771 1.809 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.072 4.711 2.084 1.00 0.00 C ATOM 1733 C HIS A 120 -8.703 4.438 0.696 1.00 0.00 C ATOM 1734 O HIS A 120 -7.921 4.467 -0.259 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.564 6.043 2.671 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.004 6.035 3.125 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -10.463 5.344 4.226 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -11.082 6.623 2.597 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -11.760 5.513 4.334 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.160 6.280 3.357 1.00 0.00 N ATOM 0 H HIS A 120 -6.436 5.079 0.860 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.336 3.948 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.931 6.308 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.437 6.824 1.922 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -9.885 4.789 4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.096 7.257 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.390 5.089 5.102 1.00 0.00 H new ATOM 1749 N GLU A 121 -9.994 4.133 0.530 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.491 4.003 -0.847 1.00 0.00 C ATOM 1751 C GLU A 121 -10.514 5.404 -1.511 1.00 0.00 C ATOM 1752 O GLU A 121 -11.485 6.136 -1.452 1.00 0.00 O ATOM 1753 CB GLU A 121 -11.847 3.213 -0.948 1.00 0.00 C ATOM 1754 CG GLU A 121 -13.133 3.859 -0.371 1.00 0.00 C ATOM 1755 CD GLU A 121 -13.045 4.281 1.074 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -12.313 3.635 1.862 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -13.649 5.324 1.444 1.00 0.00 O ATOM 0 H GLU A 121 -10.675 3.980 1.274 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.802 3.377 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.028 3.002 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.708 2.253 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.384 4.732 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -13.955 3.151 -0.477 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.380 5.744 -2.108 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.040 7.071 -2.593 1.00 0.00 C ATOM 1766 C LYS A 122 -7.831 6.955 -3.478 1.00 0.00 C ATOM 1767 O LYS A 122 -7.303 5.858 -3.660 1.00 0.00 O ATOM 1768 CB LYS A 122 -8.675 8.033 -1.424 1.00 0.00 C ATOM 1769 CG LYS A 122 -9.840 8.573 -0.620 1.00 0.00 C ATOM 1770 CD LYS A 122 -9.385 9.548 0.450 1.00 0.00 C ATOM 1771 CE LYS A 122 -10.573 10.183 1.174 1.00 0.00 C ATOM 1772 NZ LYS A 122 -11.415 11.003 0.275 1.00 0.00 N ATOM 0 H LYS A 122 -8.636 5.066 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.904 7.471 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.003 7.509 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.120 8.877 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.543 9.070 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.374 7.745 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.754 9.029 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.775 10.329 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.183 9.398 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.206 10.805 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.362 11.114 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -10.980 11.939 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -11.496 10.533 -0.649 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.467 8.040 -4.111 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.234 8.098 -4.853 1.00 0.00 C ATOM 1788 C ALA A 123 -5.112 8.398 -3.871 1.00 0.00 C ATOM 1789 O ALA A 123 -5.079 9.479 -3.253 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.291 9.162 -5.943 1.00 0.00 C ATOM 0 H ALA A 123 -8.012 8.902 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.060 7.144 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.345 9.180 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.101 8.931 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.468 10.138 -5.490 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.222 7.459 -3.706 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.141 7.582 -2.752 1.00 0.00 C ATOM 1798 C ASP A 124 -1.863 7.387 -3.505 1.00 0.00 C ATOM 1799 O ASP A 124 -1.300 6.303 -3.513 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.276 6.513 -1.621 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.277 6.629 -0.453 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.102 6.333 -0.498 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.580 6.975 0.657 1.00 0.00 O ATOM 0 H ASP A 124 -4.221 6.583 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.164 8.562 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.286 6.569 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.167 5.525 -2.068 1.00 0.00 H new ATOM 1808 N ASP A 125 -1.456 8.394 -4.229 1.00 0.00 N ATOM 1809 CA ASP A 125 -0.232 8.299 -4.996 1.00 0.00 C ATOM 1810 C ASP A 125 0.802 9.264 -4.466 1.00 0.00 C ATOM 1811 O ASP A 125 0.477 10.228 -3.769 1.00 0.00 O ATOM 1812 CB ASP A 125 -0.457 8.472 -6.533 1.00 0.00 C ATOM 1813 CG ASP A 125 0.838 8.289 -7.359 1.00 0.00 C ATOM 1814 OD1 ASP A 125 1.680 7.464 -6.986 1.00 0.00 O ATOM 1815 OD2 ASP A 125 1.054 9.018 -8.345 1.00 0.00 O ATOM 0 H ASP A 125 -1.945 9.285 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 125 0.147 7.285 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -1.201 7.749 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.867 9.464 -6.725 1.00 0.00 H new ATOM 1820 N LEU A 126 2.019 8.965 -4.773 1.00 0.00 N ATOM 1821 CA LEU A 126 3.171 9.729 -4.369 1.00 0.00 C ATOM 1822 C LEU A 126 3.408 10.812 -5.414 1.00 0.00 C ATOM 1823 O LEU A 126 3.384 11.997 -5.112 1.00 0.00 O ATOM 1824 CB LEU A 126 4.390 8.753 -4.218 1.00 0.00 C ATOM 1825 CG LEU A 126 5.775 9.284 -3.714 1.00 0.00 C ATOM 1826 CD1 LEU A 126 6.494 10.159 -4.729 1.00 0.00 C ATOM 1827 CD2 LEU A 126 5.635 10.008 -2.395 1.00 0.00 C ATOM 0 H LEU A 126 2.258 8.149 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 126 3.024 10.218 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.083 7.958 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.557 8.293 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 126 6.397 8.401 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 126 7.445 10.491 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.675 9.587 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.877 11.027 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.612 10.365 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.960 10.856 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.231 9.326 -1.647 1.00 0.00 H new ATOM 1839 N GLY A 127 3.563 10.388 -6.657 1.00 0.00 N ATOM 1840 CA GLY A 127 3.841 11.315 -7.735 1.00 0.00 C ATOM 1841 C GLY A 127 2.668 12.225 -8.042 1.00 0.00 C ATOM 1842 O GLY A 127 2.838 13.412 -8.326 1.00 0.00 O ATOM 0 H GLY A 127 3.501 9.410 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 127 4.707 11.922 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 127 4.105 10.754 -8.632 1.00 0.00 H new ATOM 1846 N LYS A 128 1.491 11.673 -8.022 1.00 0.00 N ATOM 1847 CA LYS A 128 0.290 12.426 -8.258 1.00 0.00 C ATOM 1848 C LYS A 128 -0.427 12.625 -6.914 1.00 0.00 C ATOM 1849 O LYS A 128 -1.612 12.329 -6.760 1.00 0.00 O ATOM 1850 CB LYS A 128 -0.600 11.690 -9.285 1.00 0.00 C ATOM 1851 CG LYS A 128 -1.760 12.517 -9.830 1.00 0.00 C ATOM 1852 CD LYS A 128 -2.565 11.740 -10.857 1.00 0.00 C ATOM 1853 CE LYS A 128 -3.673 12.595 -11.448 1.00 0.00 C ATOM 1854 NZ LYS A 128 -4.460 11.862 -12.460 1.00 0.00 N ATOM 0 H LYS A 128 1.334 10.682 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 128 0.522 13.404 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 128 0.022 11.367 -10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.001 10.790 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -2.410 12.818 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.375 13.430 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.906 11.393 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.995 10.854 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -4.334 12.933 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.240 13.486 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -5.205 12.483 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.835 11.561 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -4.895 11.025 -12.022 1.00 0.00 H new ATOM 1868 N GLY A 129 0.329 13.102 -5.935 1.00 0.00 N ATOM 1869 CA GLY A 129 -0.208 13.360 -4.611 1.00 0.00 C ATOM 1870 C GLY A 129 -1.240 14.483 -4.606 1.00 0.00 C ATOM 1871 O GLY A 129 -2.150 14.502 -3.770 1.00 0.00 O ATOM 0 H GLY A 129 1.321 13.318 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.665 12.449 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.608 13.618 -3.936 1.00 0.00 H new ATOM 1875 N GLY A 130 -1.086 15.427 -5.509 1.00 0.00 N ATOM 1876 CA GLY A 130 -2.027 16.512 -5.622 1.00 0.00 C ATOM 1877 C GLY A 130 -1.347 17.843 -5.829 1.00 0.00 C ATOM 1878 O GLY A 130 -1.455 18.442 -6.909 1.00 0.00 O ATOM 0 H GLY A 130 -0.315 15.462 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.702 16.318 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.638 16.555 -4.720 1.00 0.00 H new ATOM 1882 N ASN A 131 -0.635 18.302 -4.816 1.00 0.00 N ATOM 1883 CA ASN A 131 0.070 19.612 -4.884 1.00 0.00 C ATOM 1884 C ASN A 131 1.549 19.391 -5.040 1.00 0.00 C ATOM 1885 O ASN A 131 1.992 18.231 -5.010 1.00 0.00 O ATOM 1886 CB ASN A 131 -0.158 20.479 -3.617 1.00 0.00 C ATOM 1887 CG ASN A 131 -1.569 20.999 -3.451 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -2.528 20.383 -3.887 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -1.706 22.131 -2.811 1.00 0.00 N ATOM 0 H ASN A 131 -0.517 17.806 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.342 20.142 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 131 0.103 19.889 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 131 0.526 21.327 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -2.636 22.524 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -0.883 22.621 -2.459 1.00 0.00 H new ATOM 1896 N GLU A 132 2.335 20.493 -5.185 1.00 0.00 N ATOM 1897 CA GLU A 132 3.784 20.380 -5.260 1.00 0.00 C ATOM 1898 C GLU A 132 4.304 19.631 -3.985 1.00 0.00 C ATOM 1899 O GLU A 132 5.113 18.707 -4.082 1.00 0.00 O ATOM 1900 CB GLU A 132 4.376 21.795 -5.385 1.00 0.00 C ATOM 1901 CG GLU A 132 5.811 21.914 -5.911 1.00 0.00 C ATOM 1902 CD GLU A 132 6.867 21.278 -5.044 1.00 0.00 C ATOM 1903 OE1 GLU A 132 6.932 21.580 -3.823 1.00 0.00 O ATOM 1904 OE2 GLU A 132 7.671 20.465 -5.575 1.00 0.00 O ATOM 0 H GLU A 132 1.979 21.447 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 132 4.094 19.803 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.727 22.375 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 132 4.337 22.265 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.856 21.462 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.050 22.971 -6.031 1.00 0.00 H new ATOM 1911 N GLU A 133 3.774 20.000 -2.810 1.00 0.00 N ATOM 1912 CA GLU A 133 4.180 19.369 -1.539 1.00 0.00 C ATOM 1913 C GLU A 133 3.649 17.935 -1.407 1.00 0.00 C ATOM 1914 O GLU A 133 4.307 17.070 -0.839 1.00 0.00 O ATOM 1915 CB GLU A 133 3.718 20.178 -0.316 1.00 0.00 C ATOM 1916 CG GLU A 133 2.202 20.308 -0.175 1.00 0.00 C ATOM 1917 CD GLU A 133 1.787 20.803 1.184 1.00 0.00 C ATOM 1918 OE1 GLU A 133 1.815 22.023 1.419 1.00 0.00 O ATOM 1919 OE2 GLU A 133 1.417 19.973 2.043 1.00 0.00 O ATOM 0 H GLU A 133 3.067 20.728 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 133 5.269 19.346 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 133 4.115 19.709 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.151 21.177 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.827 20.992 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.739 19.339 -0.361 1.00 0.00 H new ATOM 1926 N SER A 134 2.479 17.686 -1.951 1.00 0.00 N ATOM 1927 CA SER A 134 1.818 16.401 -1.824 1.00 0.00 C ATOM 1928 C SER A 134 2.575 15.325 -2.584 1.00 0.00 C ATOM 1929 O SER A 134 2.395 14.148 -2.346 1.00 0.00 O ATOM 1930 CB SER A 134 0.431 16.511 -2.373 1.00 0.00 C ATOM 1931 OG SER A 134 -0.159 17.740 -1.990 1.00 0.00 O ATOM 0 H SER A 134 1.955 18.370 -2.497 1.00 0.00 H new ATOM 0 HA SER A 134 1.789 16.124 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.457 16.437 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.176 15.681 -2.011 1.00 0.00 H new ATOM 0 HG SER A 134 -1.133 17.674 -2.070 1.00 0.00 H new ATOM 1937 N THR A 135 3.393 15.748 -3.514 1.00 0.00 N ATOM 1938 CA THR A 135 4.194 14.846 -4.289 1.00 0.00 C ATOM 1939 C THR A 135 5.359 14.302 -3.424 1.00 0.00 C ATOM 1940 O THR A 135 5.973 13.280 -3.739 1.00 0.00 O ATOM 1941 CB THR A 135 4.775 15.596 -5.497 1.00 0.00 C ATOM 1942 OG1 THR A 135 3.742 16.375 -6.128 1.00 0.00 O ATOM 1943 CG2 THR A 135 5.333 14.630 -6.523 1.00 0.00 C ATOM 0 H THR A 135 3.520 16.731 -3.753 1.00 0.00 H new ATOM 0 HA THR A 135 3.575 14.015 -4.627 1.00 0.00 H new ATOM 0 HB THR A 135 5.577 16.240 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 135 3.667 17.243 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.737 15.189 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 135 6.125 14.035 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 135 4.538 13.971 -6.872 1.00 0.00 H new ATOM 1951 N LYS A 136 5.691 15.023 -2.367 1.00 0.00 N ATOM 1952 CA LYS A 136 6.793 14.625 -1.527 1.00 0.00 C ATOM 1953 C LYS A 136 6.274 13.600 -0.562 1.00 0.00 C ATOM 1954 O LYS A 136 6.852 12.529 -0.385 1.00 0.00 O ATOM 1955 CB LYS A 136 7.332 15.814 -0.702 1.00 0.00 C ATOM 1956 CG LYS A 136 7.450 17.143 -1.436 1.00 0.00 C ATOM 1957 CD LYS A 136 8.386 17.109 -2.616 1.00 0.00 C ATOM 1958 CE LYS A 136 8.334 18.441 -3.322 1.00 0.00 C ATOM 1959 NZ LYS A 136 9.192 18.501 -4.508 1.00 0.00 N ATOM 0 H LYS A 136 5.215 15.877 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 136 7.597 14.242 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.681 15.956 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.316 15.546 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.461 17.447 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.792 17.904 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.403 16.898 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.101 16.309 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.305 18.649 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.632 19.225 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.825 19.217 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.160 18.756 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.202 17.573 -4.977 1.00 0.00 H new ATOM 1973 N THR A 137 5.209 13.968 0.065 1.00 0.00 N ATOM 1974 CA THR A 137 4.618 13.166 1.035 1.00 0.00 C ATOM 1975 C THR A 137 4.009 11.943 0.421 1.00 0.00 C ATOM 1976 O THR A 137 4.333 10.828 0.828 1.00 0.00 O ATOM 1977 CB THR A 137 3.589 13.981 1.813 1.00 0.00 C ATOM 1978 OG1 THR A 137 2.898 14.854 0.894 1.00 0.00 O ATOM 1979 CG2 THR A 137 4.274 14.803 2.892 1.00 0.00 C ATOM 0 H THR A 137 4.730 14.854 -0.098 1.00 0.00 H new ATOM 0 HA THR A 137 5.383 12.823 1.732 1.00 0.00 H new ATOM 0 HB THR A 137 2.878 13.308 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 137 2.233 15.382 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 137 3.528 15.379 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 137 4.795 14.138 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.991 15.482 2.431 1.00 0.00 H new ATOM 1987 N GLY A 138 3.205 12.147 -0.611 1.00 0.00 N ATOM 1988 CA GLY A 138 2.485 11.074 -1.195 1.00 0.00 C ATOM 1989 C GLY A 138 1.495 10.616 -0.202 1.00 0.00 C ATOM 1990 O GLY A 138 1.796 9.714 0.590 1.00 0.00 O ATOM 0 H GLY A 138 3.048 13.055 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.989 11.397 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 138 3.159 10.262 -1.467 1.00 0.00 H new ATOM 1994 N ASN A 139 0.285 11.171 -0.276 1.00 0.00 N ATOM 1995 CA ASN A 139 -0.738 11.036 0.811 1.00 0.00 C ATOM 1996 C ASN A 139 -0.762 9.726 1.665 1.00 0.00 C ATOM 1997 O ASN A 139 -0.618 8.500 1.192 1.00 0.00 O ATOM 1998 CB ASN A 139 -2.160 11.390 0.337 1.00 0.00 C ATOM 1999 CG ASN A 139 -2.399 12.891 0.246 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -1.793 13.675 0.983 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -3.285 13.300 -0.624 1.00 0.00 N ATOM 0 H ASN A 139 -0.030 11.724 -1.073 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.369 11.783 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.334 10.940 -0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -2.885 10.953 1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -3.494 14.295 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -3.767 12.624 -1.217 1.00 0.00 H new ATOM 2008 N ALA A 140 -0.916 9.952 2.932 1.00 0.00 N ATOM 2009 CA ALA A 140 -0.953 8.925 3.903 1.00 0.00 C ATOM 2010 C ALA A 140 -2.201 9.066 4.725 1.00 0.00 C ATOM 2011 O ALA A 140 -2.528 10.155 5.185 1.00 0.00 O ATOM 2012 CB ALA A 140 0.287 8.982 4.787 1.00 0.00 C ATOM 0 H ALA A 140 -1.022 10.888 3.322 1.00 0.00 H new ATOM 0 HA ALA A 140 -0.963 7.956 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.242 8.185 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.178 8.856 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.329 9.946 5.293 1.00 0.00 H new ATOM 2018 N GLY A 141 -2.919 7.992 4.843 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.079 7.979 5.655 1.00 0.00 C ATOM 2020 C GLY A 141 -3.867 7.039 6.790 1.00 0.00 C ATOM 2021 O GLY A 141 -4.415 5.936 6.791 1.00 0.00 O ATOM 0 H GLY A 141 -2.712 7.108 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.287 8.981 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -4.945 7.672 5.069 1.00 0.00 H new ATOM 2025 N SER A 142 -3.076 7.480 7.752 1.00 0.00 N ATOM 2026 CA SER A 142 -2.672 6.683 8.895 1.00 0.00 C ATOM 2027 C SER A 142 -3.860 6.197 9.708 1.00 0.00 C ATOM 2028 O SER A 142 -3.781 5.183 10.396 1.00 0.00 O ATOM 2029 CB SER A 142 -1.723 7.492 9.758 1.00 0.00 C ATOM 2030 OG SER A 142 -2.332 8.705 10.207 1.00 0.00 O ATOM 0 H SER A 142 -2.688 8.423 7.760 1.00 0.00 H new ATOM 0 HA SER A 142 -2.164 5.792 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 142 -1.415 6.898 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.821 7.724 9.191 1.00 0.00 H new ATOM 0 HG SER A 142 -1.697 9.204 10.762 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.938 6.931 9.654 1.00 0.00 N ATOM 2037 CA ARG A 143 -6.132 6.509 10.311 1.00 0.00 C ATOM 2038 C ARG A 143 -7.258 6.280 9.334 1.00 0.00 C ATOM 2039 O ARG A 143 -8.350 5.900 9.755 1.00 0.00 O ATOM 2040 CB ARG A 143 -6.584 7.491 11.400 1.00 0.00 C ATOM 2041 CG ARG A 143 -6.792 8.920 10.926 1.00 0.00 C ATOM 2042 CD ARG A 143 -7.465 9.765 11.989 1.00 0.00 C ATOM 2043 NE ARG A 143 -8.898 9.437 12.144 1.00 0.00 N ATOM 2044 CZ ARG A 143 -9.556 9.338 13.308 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -8.897 9.361 14.460 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -10.871 9.201 13.304 1.00 0.00 N ATOM 0 H ARG A 143 -5.008 7.821 9.161 1.00 0.00 H new ATOM 0 HA ARG A 143 -5.885 5.563 10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -7.516 7.128 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -5.842 7.493 12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.830 9.361 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -7.400 8.920 10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -6.956 9.619 12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -7.362 10.819 11.731 1.00 0.00 H new ATOM 0 HE ARG A 143 -9.433 9.272 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.881 9.455 14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -9.406 9.285 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -11.378 9.171 12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -11.379 9.125 14.186 1.00 0.00 H new ATOM 2060 N LEU A 144 -7.056 6.490 8.086 1.00 0.00 N ATOM 2061 CA LEU A 144 -8.175 6.333 7.182 1.00 0.00 C ATOM 2062 C LEU A 144 -8.414 4.865 6.887 1.00 0.00 C ATOM 2063 O LEU A 144 -9.547 4.432 6.672 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.014 7.158 5.892 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.237 8.694 5.967 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -9.636 9.021 6.446 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -7.200 9.395 6.831 1.00 0.00 C ATOM 0 H LEU A 144 -6.169 6.761 7.661 1.00 0.00 H new ATOM 0 HA LEU A 144 -9.058 6.730 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.007 6.986 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.707 6.757 5.152 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.117 9.072 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -9.762 10.103 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.365 8.597 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.789 8.599 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -7.404 10.466 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.246 9.001 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.206 9.222 6.419 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.338 4.147 6.832 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.285 2.738 6.619 1.00 0.00 C ATOM 2081 C ALA A 145 -5.850 2.349 6.786 1.00 0.00 C ATOM 2082 O ALA A 145 -5.087 2.438 5.833 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.786 2.339 5.231 1.00 0.00 C ATOM 0 H ALA A 145 -6.411 4.559 6.942 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.936 2.226 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.725 1.256 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.821 2.658 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.169 2.817 4.470 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.435 2.025 7.968 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.071 1.654 8.122 1.00 0.00 C ATOM 2091 C CYS A 146 -3.952 0.498 9.044 1.00 0.00 C ATOM 2092 O CYS A 146 -4.560 0.466 10.116 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.200 2.828 8.589 1.00 0.00 C ATOM 2094 SG CYS A 146 -1.412 2.443 8.670 1.00 0.00 S ATOM 0 H CYS A 146 -6.002 2.010 8.816 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.697 1.358 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.350 3.670 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -3.537 3.148 9.575 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.186 -0.439 8.617 1.00 0.00 N ATOM 2100 CA GLY A 147 -2.938 -1.609 9.340 1.00 0.00 C ATOM 2101 C GLY A 147 -1.705 -2.228 8.799 1.00 0.00 C ATOM 2102 O GLY A 147 -1.238 -1.813 7.724 1.00 0.00 O ATOM 0 H GLY A 147 -2.702 -0.400 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -2.818 -1.384 10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.779 -2.296 9.253 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.151 -3.169 9.512 1.00 0.00 N ATOM 2107 CA VAL A 148 0.068 -3.825 9.098 1.00 0.00 C ATOM 2108 C VAL A 148 -0.186 -4.687 7.874 1.00 0.00 C ATOM 2109 O VAL A 148 -1.051 -5.580 7.886 1.00 0.00 O ATOM 2110 CB VAL A 148 0.662 -4.712 10.230 1.00 0.00 C ATOM 2111 CG1 VAL A 148 1.991 -5.332 9.804 1.00 0.00 C ATOM 2112 CG2 VAL A 148 0.837 -3.917 11.517 1.00 0.00 C ATOM 0 H VAL A 148 -1.528 -3.506 10.398 1.00 0.00 H new ATOM 0 HA VAL A 148 0.788 -3.042 8.860 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.047 -5.518 10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.382 -5.946 10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.837 -5.952 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.704 -4.541 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.254 -4.563 12.290 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.513 -3.081 11.339 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.131 -3.537 11.845 1.00 0.00 H new ATOM 2122 N ILE A 149 0.543 -4.403 6.833 1.00 0.00 N ATOM 2123 CA ILE A 149 0.478 -5.150 5.612 1.00 0.00 C ATOM 2124 C ILE A 149 1.821 -5.789 5.410 1.00 0.00 C ATOM 2125 O ILE A 149 2.811 -5.130 5.136 1.00 0.00 O ATOM 2126 CB ILE A 149 0.013 -4.263 4.372 1.00 0.00 C ATOM 2127 CG1 ILE A 149 -0.046 -5.033 2.997 1.00 0.00 C ATOM 2128 CG2 ILE A 149 0.831 -3.009 4.243 1.00 0.00 C ATOM 2129 CD1 ILE A 149 1.291 -5.321 2.313 1.00 0.00 C ATOM 0 H ILE A 149 1.211 -3.632 6.810 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.289 -5.921 5.683 1.00 0.00 H new ATOM 0 HB ILE A 149 -1.017 -3.992 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -0.556 -5.982 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -0.662 -4.454 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.482 -2.433 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.726 -2.411 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.879 -3.271 4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.114 -5.854 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.803 -4.381 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.910 -5.933 2.968 1.00 0.00 H new ATOM 2141 N GLY A 150 1.868 -7.044 5.619 1.00 0.00 N ATOM 2142 CA GLY A 150 3.073 -7.726 5.476 1.00 0.00 C ATOM 2143 C GLY A 150 2.850 -9.161 5.585 1.00 0.00 C ATOM 2144 O GLY A 150 1.704 -9.595 5.753 1.00 0.00 O ATOM 0 H GLY A 150 1.072 -7.620 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.520 -7.492 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.778 -7.400 6.241 1.00 0.00 H new ATOM 2148 N ILE A 151 3.924 -9.914 5.480 1.00 0.00 N ATOM 2149 CA ILE A 151 3.896 -11.369 5.543 1.00 0.00 C ATOM 2150 C ILE A 151 3.222 -11.887 6.817 1.00 0.00 C ATOM 2151 O ILE A 151 3.663 -11.625 7.935 1.00 0.00 O ATOM 2152 CB ILE A 151 5.317 -11.999 5.365 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.247 -13.535 5.474 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.325 -11.414 6.357 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.567 -14.236 5.259 1.00 0.00 C ATOM 0 H ILE A 151 4.860 -9.531 5.346 1.00 0.00 H new ATOM 0 HA ILE A 151 3.286 -11.692 4.699 1.00 0.00 H new ATOM 0 HB ILE A 151 5.671 -11.745 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.865 -13.800 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.529 -13.907 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.299 -11.877 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.406 -10.338 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.989 -11.610 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.427 -15.313 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.944 -14.005 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 151 7.285 -13.897 6.006 1.00 0.00 H new ATOM 2167 N ALA A 152 2.118 -12.531 6.617 1.00 0.00 N ATOM 2168 CA ALA A 152 1.354 -13.161 7.643 1.00 0.00 C ATOM 2169 C ALA A 152 0.686 -14.319 6.977 1.00 0.00 C ATOM 2170 O ALA A 152 0.512 -14.291 5.753 1.00 0.00 O ATOM 2171 CB ALA A 152 0.329 -12.200 8.216 1.00 0.00 C ATOM 0 H ALA A 152 1.706 -12.637 5.690 1.00 0.00 H new ATOM 0 HA ALA A 152 1.977 -13.479 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.243 -12.701 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 152 0.838 -11.334 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.346 -11.874 7.425 1.00 0.00 H new ATOM 2177 N GLN A 153 0.346 -15.324 7.711 1.00 0.00 N ATOM 2178 CA GLN A 153 -0.293 -16.465 7.136 1.00 0.00 C ATOM 2179 C GLN A 153 -1.343 -16.972 8.079 1.00 0.00 C ATOM 2180 O GLN A 153 -2.469 -17.211 7.648 1.00 0.00 O ATOM 2181 CB GLN A 153 0.724 -17.547 6.735 1.00 0.00 C ATOM 2182 CG GLN A 153 1.532 -18.147 7.870 1.00 0.00 C ATOM 2183 CD GLN A 153 2.635 -19.043 7.358 1.00 0.00 C ATOM 2184 OE1 GLN A 153 3.184 -18.815 6.285 1.00 0.00 O ATOM 2185 NE2 GLN A 153 2.947 -20.076 8.084 1.00 0.00 N ATOM 2186 OXT GLN A 153 -1.088 -16.995 9.297 1.00 0.00 O ATOM 0 H GLN A 153 0.500 -15.381 8.718 1.00 0.00 H new ATOM 0 HA GLN A 153 -0.785 -16.173 6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 153 0.190 -18.352 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 153 1.415 -17.118 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 153 1.963 -17.347 8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 153 0.873 -18.718 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 153 2.472 -20.238 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 153 3.667 -20.724 7.765 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -1.000 6.599 1.062 1.00 0.00 CU