USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 88 HIS : no HD1:sc= -4.46! C(o=-5.4!,f=-5.8!) USER MOD Set 1.2: A 92 SER OG : rot -130:sc= -0.892 USER MOD Set 2.1: A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 52 SER OG : rot -54:sc= 0.953 USER MOD Set 3.2: A 78 TYR OH : rot -18:sc= 1.9 USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -58:sc= 0.322 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 18:sc= -1.14 USER MOD Single : A 10 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.51) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 25:sc= -0.264 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.16 F(o=-2.9,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.17 X(o=-3.2,f=-3.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.993 USER MOD Single : A 54 SER OG : rot 180:sc= -0.62 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.65) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.134 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -68:sc= 0.466 USER MOD Single : A 70 TYR OH : rot 174:sc= -3.28! USER MOD Single : A 81 ASN : amide:sc= -0.0902 X(o=-0.09,f=0) USER MOD Single : A 83 THR OG1 : rot 35:sc= 0.0524 USER MOD Single : A 84 TYR OH : rot 130:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -168:sc=-0.00105 (180deg=-0.11) USER MOD Single : A 105 SER OG : rot -1:sc= 0.595! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.464 16.182 17.630 1.00 0.00 N ATOM 2 CA GLY A 1 6.472 17.076 18.196 1.00 0.00 C ATOM 3 C GLY A 1 6.022 18.139 17.213 1.00 0.00 C ATOM 4 O GLY A 1 6.775 19.060 16.896 1.00 0.00 O ATOM 0 H1 GLY A 1 7.739 15.474 18.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.064 15.701 16.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.301 16.729 17.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.608 16.496 18.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.885 17.557 19.083 1.00 0.00 H new ATOM 8 N SER A 2 4.790 18.012 16.729 1.00 0.00 N ATOM 9 CA SER A 2 4.243 18.967 15.772 1.00 0.00 C ATOM 10 C SER A 2 3.554 20.122 16.491 1.00 0.00 C ATOM 11 O SER A 2 3.154 19.997 17.648 1.00 0.00 O ATOM 12 CB SER A 2 3.253 18.271 14.835 1.00 0.00 C ATOM 13 OG SER A 2 2.190 17.682 15.563 1.00 0.00 O ATOM 0 H SER A 2 4.152 17.258 16.984 1.00 0.00 H new ATOM 0 HA SER A 2 5.068 19.369 15.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.854 18.992 14.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.771 17.505 14.258 1.00 0.00 H new ATOM 0 HG SER A 2 1.571 17.245 14.942 1.00 0.00 H new ATOM 19 N SER A 3 3.419 21.247 15.796 1.00 0.00 N ATOM 20 CA SER A 3 2.782 22.428 16.368 1.00 0.00 C ATOM 21 C SER A 3 1.341 22.557 15.882 1.00 0.00 C ATOM 22 O SER A 3 0.883 23.648 15.547 1.00 0.00 O ATOM 23 CB SER A 3 3.570 23.687 16.003 1.00 0.00 C ATOM 24 OG SER A 3 3.112 24.807 16.739 1.00 0.00 O ATOM 0 H SER A 3 3.742 21.366 14.836 1.00 0.00 H new ATOM 0 HA SER A 3 2.773 22.316 17.452 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.630 23.527 16.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.472 23.885 14.936 1.00 0.00 H new ATOM 0 HG SER A 3 2.158 24.945 16.565 1.00 0.00 H new ATOM 30 N GLY A 4 0.632 21.433 15.847 1.00 0.00 N ATOM 31 CA GLY A 4 -0.749 21.441 15.400 1.00 0.00 C ATOM 32 C GLY A 4 -0.870 21.401 13.890 1.00 0.00 C ATOM 33 O GLY A 4 -1.572 20.553 13.339 1.00 0.00 O ATOM 0 H GLY A 4 0.989 20.517 16.120 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.270 20.584 15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.245 22.335 15.778 1.00 0.00 H new ATOM 37 N SER A 5 -0.185 22.321 13.218 1.00 0.00 N ATOM 38 CA SER A 5 -0.224 22.391 11.762 1.00 0.00 C ATOM 39 C SER A 5 0.753 23.441 11.243 1.00 0.00 C ATOM 40 O SER A 5 0.977 24.467 11.884 1.00 0.00 O ATOM 41 CB SER A 5 -1.640 22.714 11.284 1.00 0.00 C ATOM 42 OG SER A 5 -1.748 22.574 9.878 1.00 0.00 O ATOM 0 H SER A 5 0.404 23.028 13.659 1.00 0.00 H new ATOM 0 HA SER A 5 0.071 21.419 11.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.353 22.051 11.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.901 23.732 11.572 1.00 0.00 H new ATOM 0 HG SER A 5 -2.663 22.784 9.598 1.00 0.00 H new ATOM 48 N SER A 6 1.332 23.176 10.076 1.00 0.00 N ATOM 49 CA SER A 6 2.289 24.095 9.471 1.00 0.00 C ATOM 50 C SER A 6 2.570 23.710 8.022 1.00 0.00 C ATOM 51 O SER A 6 2.494 22.539 7.653 1.00 0.00 O ATOM 52 CB SER A 6 3.593 24.107 10.270 1.00 0.00 C ATOM 53 OG SER A 6 4.399 25.216 9.914 1.00 0.00 O ATOM 0 H SER A 6 1.155 22.332 9.531 1.00 0.00 H new ATOM 0 HA SER A 6 1.854 25.094 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.369 24.143 11.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.142 23.182 10.091 1.00 0.00 H new ATOM 0 HG SER A 6 5.226 25.202 10.440 1.00 0.00 H new ATOM 59 N GLY A 7 2.897 24.706 7.204 1.00 0.00 N ATOM 60 CA GLY A 7 3.185 24.452 5.804 1.00 0.00 C ATOM 61 C GLY A 7 4.393 23.558 5.614 1.00 0.00 C ATOM 62 O GLY A 7 5.531 23.998 5.769 1.00 0.00 O ATOM 0 H GLY A 7 2.968 25.684 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.317 23.988 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.354 25.400 5.293 1.00 0.00 H new ATOM 66 N GLY A 8 4.146 22.295 5.278 1.00 0.00 N ATOM 67 CA GLY A 8 5.233 21.355 5.074 1.00 0.00 C ATOM 68 C GLY A 8 5.081 20.563 3.791 1.00 0.00 C ATOM 69 O GLY A 8 5.934 20.633 2.906 1.00 0.00 O ATOM 0 H GLY A 8 3.213 21.906 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.179 21.897 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.278 20.667 5.919 1.00 0.00 H new ATOM 73 N CYS A 9 3.993 19.807 3.689 1.00 0.00 N ATOM 74 CA CYS A 9 3.734 18.995 2.505 1.00 0.00 C ATOM 75 C CYS A 9 2.235 18.812 2.290 1.00 0.00 C ATOM 76 O CYS A 9 1.420 19.372 3.023 1.00 0.00 O ATOM 77 CB CYS A 9 4.413 17.632 2.637 1.00 0.00 C ATOM 78 SG CYS A 9 6.203 17.671 2.389 1.00 0.00 S ATOM 0 H CYS A 9 3.276 19.739 4.412 1.00 0.00 H new ATOM 0 HA CYS A 9 4.146 19.515 1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.203 17.228 3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.972 16.947 1.913 1.00 0.00 H new ATOM 0 HG CYS A 9 6.633 18.890 2.523 1.00 0.00 H new ATOM 84 N GLN A 10 1.880 18.026 1.279 1.00 0.00 N ATOM 85 CA GLN A 10 0.478 17.772 0.965 1.00 0.00 C ATOM 86 C GLN A 10 0.222 16.278 0.790 1.00 0.00 C ATOM 87 O GLN A 10 0.360 15.724 -0.300 1.00 0.00 O ATOM 88 CB GLN A 10 0.073 18.523 -0.304 1.00 0.00 C ATOM 89 CG GLN A 10 -0.150 20.011 -0.085 1.00 0.00 C ATOM 90 CD GLN A 10 -0.085 20.806 -1.374 1.00 0.00 C ATOM 91 OE1 GLN A 10 0.803 20.598 -2.202 1.00 0.00 O ATOM 92 NE2 GLN A 10 -1.028 21.724 -1.551 1.00 0.00 N ATOM 0 H GLN A 10 2.543 17.554 0.664 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.126 18.131 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.847 18.387 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.841 18.082 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.122 20.164 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.601 20.389 0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.745 21.863 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.036 22.290 -2.399 1.00 0.00 H new ATOM 101 N PRO A 11 -0.159 15.610 1.889 1.00 0.00 N ATOM 102 CA PRO A 11 -0.442 14.172 1.882 1.00 0.00 C ATOM 103 C PRO A 11 -1.717 13.836 1.116 1.00 0.00 C ATOM 104 O PRO A 11 -2.065 12.666 0.953 1.00 0.00 O ATOM 105 CB PRO A 11 -0.606 13.835 3.366 1.00 0.00 C ATOM 106 CG PRO A 11 -1.025 15.116 4.001 1.00 0.00 C ATOM 107 CD PRO A 11 -0.343 16.207 3.222 1.00 0.00 C ATOM 0 HA PRO A 11 0.346 13.604 1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.354 13.056 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.327 13.467 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.108 15.232 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.733 15.145 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.952 17.110 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.610 16.487 3.672 1.00 0.00 H new ATOM 115 N SER A 12 -2.410 14.869 0.647 1.00 0.00 N ATOM 116 CA SER A 12 -3.649 14.683 -0.099 1.00 0.00 C ATOM 117 C SER A 12 -3.363 14.469 -1.583 1.00 0.00 C ATOM 118 O SER A 12 -4.100 13.765 -2.273 1.00 0.00 O ATOM 119 CB SER A 12 -4.567 15.893 0.085 1.00 0.00 C ATOM 120 OG SER A 12 -4.787 16.162 1.459 1.00 0.00 O ATOM 0 H SER A 12 -2.134 15.843 0.771 1.00 0.00 H new ATOM 0 HA SER A 12 -4.148 13.795 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.123 16.766 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.520 15.709 -0.410 1.00 0.00 H new ATOM 0 HG SER A 12 -5.375 16.941 1.550 1.00 0.00 H new ATOM 126 N ARG A 13 -2.286 15.081 -2.065 1.00 0.00 N ATOM 127 CA ARG A 13 -1.902 14.960 -3.466 1.00 0.00 C ATOM 128 C ARG A 13 -1.450 13.537 -3.785 1.00 0.00 C ATOM 129 O ARG A 13 -1.292 13.171 -4.949 1.00 0.00 O ATOM 130 CB ARG A 13 -0.783 15.948 -3.798 1.00 0.00 C ATOM 131 CG ARG A 13 -1.085 17.376 -3.371 1.00 0.00 C ATOM 132 CD ARG A 13 -1.842 18.132 -4.452 1.00 0.00 C ATOM 133 NE ARG A 13 -0.947 18.670 -5.473 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.371 19.240 -6.595 1.00 0.00 C ATOM 135 NH1 ARG A 13 -2.670 19.346 -6.839 1.00 0.00 N ATOM 136 NH2 ARG A 13 -0.495 19.706 -7.476 1.00 0.00 N ATOM 0 H ARG A 13 -1.664 15.665 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.775 15.192 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.136 15.619 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.601 15.930 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.673 17.366 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.153 17.895 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.567 17.466 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.405 18.947 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 13 0.059 18.604 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.346 18.989 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.993 19.784 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.505 19.627 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.822 20.144 -8.337 1.00 0.00 H new ATOM 150 N VAL A 14 -1.243 12.740 -2.741 1.00 0.00 N ATOM 151 CA VAL A 14 -0.810 11.358 -2.909 1.00 0.00 C ATOM 152 C VAL A 14 -1.959 10.476 -3.383 1.00 0.00 C ATOM 153 O VAL A 14 -3.108 10.672 -2.990 1.00 0.00 O ATOM 154 CB VAL A 14 -0.244 10.784 -1.597 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.486 9.475 -1.857 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.676 11.793 -0.927 1.00 0.00 C ATOM 0 H VAL A 14 -1.368 13.028 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.024 11.362 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.075 10.580 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.879 9.085 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.206 8.752 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.309 9.649 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.067 11.370 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.504 12.031 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.118 12.702 -0.704 1.00 0.00 H new ATOM 166 N GLN A 15 -1.640 9.503 -4.231 1.00 0.00 N ATOM 167 CA GLN A 15 -2.646 8.590 -4.759 1.00 0.00 C ATOM 168 C GLN A 15 -2.138 7.152 -4.746 1.00 0.00 C ATOM 169 O GLN A 15 -1.004 6.881 -5.139 1.00 0.00 O ATOM 170 CB GLN A 15 -3.034 8.993 -6.183 1.00 0.00 C ATOM 171 CG GLN A 15 -3.428 10.455 -6.316 1.00 0.00 C ATOM 172 CD GLN A 15 -3.427 10.932 -7.755 1.00 0.00 C ATOM 173 OE1 GLN A 15 -2.722 11.877 -8.108 1.00 0.00 O ATOM 174 NE2 GLN A 15 -4.220 10.278 -8.596 1.00 0.00 N ATOM 0 H GLN A 15 -0.693 9.327 -4.567 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.526 8.651 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.197 8.789 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.865 8.370 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.421 10.600 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.739 11.067 -5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.788 9.500 -8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.261 10.554 -9.577 1.00 0.00 H new ATOM 183 N ALA A 16 -2.985 6.235 -4.290 1.00 0.00 N ATOM 184 CA ALA A 16 -2.622 4.825 -4.227 1.00 0.00 C ATOM 185 C ALA A 16 -3.658 3.958 -4.934 1.00 0.00 C ATOM 186 O ALA A 16 -4.828 3.939 -4.552 1.00 0.00 O ATOM 187 CB ALA A 16 -2.463 4.385 -2.779 1.00 0.00 C ATOM 0 H ALA A 16 -3.927 6.443 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.669 4.698 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.192 3.330 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.680 4.975 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.403 4.534 -2.248 1.00 0.00 H new ATOM 193 N GLN A 17 -3.222 3.245 -5.967 1.00 0.00 N ATOM 194 CA GLN A 17 -4.114 2.378 -6.728 1.00 0.00 C ATOM 195 C GLN A 17 -3.367 1.157 -7.255 1.00 0.00 C ATOM 196 O GLN A 17 -2.148 1.185 -7.418 1.00 0.00 O ATOM 197 CB GLN A 17 -4.739 3.150 -7.891 1.00 0.00 C ATOM 198 CG GLN A 17 -3.766 3.437 -9.024 1.00 0.00 C ATOM 199 CD GLN A 17 -4.467 3.809 -10.315 1.00 0.00 C ATOM 200 OE1 GLN A 17 -5.428 4.579 -10.313 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.988 3.265 -11.427 1.00 0.00 N ATOM 0 H GLN A 17 -2.257 3.250 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.905 2.037 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.582 2.581 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.137 4.093 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.101 4.249 -8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.143 2.559 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.189 2.632 -11.382 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.418 3.480 -12.326 1.00 0.00 H new ATOM 210 N GLY A 18 -4.108 0.085 -7.518 1.00 0.00 N ATOM 211 CA GLY A 18 -3.499 -1.132 -8.023 1.00 0.00 C ATOM 212 C GLY A 18 -4.139 -2.381 -7.451 1.00 0.00 C ATOM 213 O GLY A 18 -5.162 -2.324 -6.767 1.00 0.00 O ATOM 0 H GLY A 18 -5.119 0.037 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.580 -1.151 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.436 -1.129 -7.782 1.00 0.00 H new ATOM 217 N PRO A 19 -3.532 -3.544 -7.732 1.00 0.00 N ATOM 218 CA PRO A 19 -4.032 -4.835 -7.250 1.00 0.00 C ATOM 219 C PRO A 19 -3.862 -4.998 -5.744 1.00 0.00 C ATOM 220 O PRO A 19 -4.759 -5.484 -5.057 1.00 0.00 O ATOM 221 CB PRO A 19 -3.167 -5.852 -7.999 1.00 0.00 C ATOM 222 CG PRO A 19 -1.909 -5.119 -8.316 1.00 0.00 C ATOM 223 CD PRO A 19 -2.310 -3.687 -8.540 1.00 0.00 C ATOM 0 HA PRO A 19 -5.101 -4.950 -7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.969 -6.731 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.661 -6.201 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.193 -5.201 -7.498 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.429 -5.533 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.531 -2.996 -8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.499 -3.483 -9.594 1.00 0.00 H new ATOM 231 N GLY A 20 -2.704 -4.586 -5.236 1.00 0.00 N ATOM 232 CA GLY A 20 -2.438 -4.694 -3.813 1.00 0.00 C ATOM 233 C GLY A 20 -3.451 -3.940 -2.975 1.00 0.00 C ATOM 234 O GLY A 20 -3.521 -4.124 -1.759 1.00 0.00 O ATOM 0 H GLY A 20 -1.946 -4.180 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.443 -5.745 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.440 -4.310 -3.603 1.00 0.00 H new ATOM 238 N LEU A 21 -4.236 -3.088 -3.624 1.00 0.00 N ATOM 239 CA LEU A 21 -5.250 -2.301 -2.930 1.00 0.00 C ATOM 240 C LEU A 21 -6.648 -2.840 -3.216 1.00 0.00 C ATOM 241 O LEU A 21 -7.550 -2.729 -2.385 1.00 0.00 O ATOM 242 CB LEU A 21 -5.161 -0.833 -3.351 1.00 0.00 C ATOM 243 CG LEU A 21 -3.795 -0.167 -3.181 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.814 1.244 -3.748 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.389 -0.149 -1.714 1.00 0.00 C ATOM 0 H LEU A 21 -4.190 -2.924 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.063 -2.377 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.451 -0.758 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.893 -0.266 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.058 -0.749 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.833 1.702 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.059 1.206 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.564 1.837 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.414 0.329 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.128 0.408 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.333 -1.171 -1.339 1.00 0.00 H new ATOM 257 N LYS A 22 -6.820 -3.426 -4.395 1.00 0.00 N ATOM 258 CA LYS A 22 -8.107 -3.987 -4.791 1.00 0.00 C ATOM 259 C LYS A 22 -8.316 -5.363 -4.167 1.00 0.00 C ATOM 260 O LYS A 22 -9.353 -5.627 -3.560 1.00 0.00 O ATOM 261 CB LYS A 22 -8.196 -4.088 -6.315 1.00 0.00 C ATOM 262 CG LYS A 22 -8.552 -2.775 -6.992 1.00 0.00 C ATOM 263 CD LYS A 22 -8.603 -2.923 -8.504 1.00 0.00 C ATOM 264 CE LYS A 22 -9.962 -3.423 -8.970 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.189 -3.144 -10.415 1.00 0.00 N ATOM 0 H LYS A 22 -6.084 -3.525 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.891 -3.321 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.241 -4.440 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.943 -4.837 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.518 -2.427 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.817 -2.016 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.388 -1.962 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.828 -3.617 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.035 -4.496 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.746 -2.947 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.126 -3.500 -10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.144 -2.118 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.456 -3.619 -10.980 1.00 0.00 H new ATOM 279 N GLU A 23 -7.324 -6.234 -4.319 1.00 0.00 N ATOM 280 CA GLU A 23 -7.400 -7.582 -3.769 1.00 0.00 C ATOM 281 C GLU A 23 -6.030 -8.254 -3.783 1.00 0.00 C ATOM 282 O GLU A 23 -5.235 -8.047 -4.699 1.00 0.00 O ATOM 283 CB GLU A 23 -8.401 -8.424 -4.563 1.00 0.00 C ATOM 284 CG GLU A 23 -7.904 -8.822 -5.942 1.00 0.00 C ATOM 285 CD GLU A 23 -8.208 -7.775 -6.996 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.391 -7.642 -7.376 1.00 0.00 O ATOM 287 OE2 GLU A 23 -7.265 -7.089 -7.442 1.00 0.00 O ATOM 0 H GLU A 23 -6.458 -6.030 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.738 -7.507 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.635 -9.325 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.330 -7.864 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.828 -8.990 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.364 -9.767 -6.231 1.00 0.00 H new ATOM 294 N ALA A 24 -5.763 -9.060 -2.760 1.00 0.00 N ATOM 295 CA ALA A 24 -4.490 -9.763 -2.655 1.00 0.00 C ATOM 296 C ALA A 24 -4.703 -11.234 -2.312 1.00 0.00 C ATOM 297 O ALA A 24 -5.838 -11.704 -2.227 1.00 0.00 O ATOM 298 CB ALA A 24 -3.605 -9.099 -1.611 1.00 0.00 C ATOM 0 H ALA A 24 -6.410 -9.242 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.993 -9.710 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.658 -9.634 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.417 -8.064 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.105 -9.122 -0.643 1.00 0.00 H new ATOM 304 N PHE A 25 -3.605 -11.956 -2.118 1.00 0.00 N ATOM 305 CA PHE A 25 -3.671 -13.374 -1.786 1.00 0.00 C ATOM 306 C PHE A 25 -2.606 -13.743 -0.758 1.00 0.00 C ATOM 307 O PHE A 25 -1.728 -12.940 -0.440 1.00 0.00 O ATOM 308 CB PHE A 25 -3.495 -14.224 -3.047 1.00 0.00 C ATOM 309 CG PHE A 25 -4.788 -14.533 -3.746 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.413 -13.576 -4.529 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.377 -15.781 -3.622 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.603 -13.857 -5.173 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.567 -16.068 -4.264 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.180 -15.106 -5.042 1.00 0.00 C ATOM 0 H PHE A 25 -2.658 -11.582 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.652 -13.575 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.833 -13.702 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.003 -15.159 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.965 -12.599 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.901 -16.538 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.082 -13.101 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.017 -17.044 -4.157 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.108 -15.329 -5.547 1.00 0.00 H new ATOM 324 N THR A 26 -2.690 -14.965 -0.240 1.00 0.00 N ATOM 325 CA THR A 26 -1.735 -15.441 0.754 1.00 0.00 C ATOM 326 C THR A 26 -0.452 -15.931 0.092 1.00 0.00 C ATOM 327 O THR A 26 -0.489 -16.746 -0.828 1.00 0.00 O ATOM 328 CB THR A 26 -2.329 -16.580 1.603 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.799 -17.632 0.752 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.473 -16.071 2.467 1.00 0.00 C ATOM 0 H THR A 26 -3.409 -15.643 -0.492 1.00 0.00 H new ATOM 0 HA THR A 26 -1.506 -14.596 1.403 1.00 0.00 H new ATOM 0 HB THR A 26 -1.545 -16.964 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.313 -17.607 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.877 -16.893 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.106 -15.291 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.257 -15.663 1.829 1.00 0.00 H new ATOM 338 N ASN A 27 0.683 -15.429 0.569 1.00 0.00 N ATOM 339 CA ASN A 27 1.978 -15.816 0.023 1.00 0.00 C ATOM 340 C ASN A 27 2.096 -15.407 -1.442 1.00 0.00 C ATOM 341 O ASN A 27 2.809 -16.041 -2.221 1.00 0.00 O ATOM 342 CB ASN A 27 2.182 -17.327 0.160 1.00 0.00 C ATOM 343 CG ASN A 27 2.233 -17.774 1.608 1.00 0.00 C ATOM 344 OD1 ASN A 27 1.138 -17.569 2.330 1.00 0.00 O flip ATOM 345 ND2 ASN A 27 3.246 -18.298 2.071 1.00 0.00 N flip ATOM 0 H ASN A 27 0.731 -14.754 1.332 1.00 0.00 H new ATOM 0 HA ASN A 27 2.752 -15.298 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.372 -17.848 -0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.108 -17.613 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.065 -18.436 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.266 -18.594 3.047 1.00 0.00 H new ATOM 352 N LYS A 28 1.393 -14.341 -1.811 1.00 0.00 N ATOM 353 CA LYS A 28 1.419 -13.844 -3.181 1.00 0.00 C ATOM 354 C LYS A 28 1.913 -12.401 -3.228 1.00 0.00 C ATOM 355 O LYS A 28 1.626 -11.593 -2.344 1.00 0.00 O ATOM 356 CB LYS A 28 0.025 -13.937 -3.806 1.00 0.00 C ATOM 357 CG LYS A 28 -0.340 -15.336 -4.272 1.00 0.00 C ATOM 358 CD LYS A 28 -1.290 -15.298 -5.458 1.00 0.00 C ATOM 359 CE LYS A 28 -0.534 -15.207 -6.775 1.00 0.00 C ATOM 360 NZ LYS A 28 -1.367 -14.604 -7.852 1.00 0.00 N ATOM 0 H LYS A 28 0.798 -13.805 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 28 2.109 -14.465 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.714 -13.601 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.030 -13.255 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.566 -15.877 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.802 -15.885 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.913 -16.193 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.960 -14.443 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.367 -14.610 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.213 -16.203 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.816 -14.560 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.215 -15.187 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.653 -13.644 -7.573 1.00 0.00 H new ATOM 374 N PRO A 29 2.672 -12.068 -4.282 1.00 0.00 N ATOM 375 CA PRO A 29 3.219 -10.721 -4.469 1.00 0.00 C ATOM 376 C PRO A 29 2.139 -9.697 -4.799 1.00 0.00 C ATOM 377 O PRO A 29 1.514 -9.759 -5.857 1.00 0.00 O ATOM 378 CB PRO A 29 4.176 -10.889 -5.652 1.00 0.00 C ATOM 379 CG PRO A 29 3.648 -12.061 -6.404 1.00 0.00 C ATOM 380 CD PRO A 29 3.053 -12.981 -5.373 1.00 0.00 C ATOM 0 HA PRO A 29 3.698 -10.346 -3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.195 -9.995 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.197 -11.064 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.897 -11.752 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.443 -12.559 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.191 -13.521 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.772 -13.729 -5.039 1.00 0.00 H new ATOM 388 N ASN A 30 1.925 -8.755 -3.886 1.00 0.00 N ATOM 389 CA ASN A 30 0.919 -7.717 -4.080 1.00 0.00 C ATOM 390 C ASN A 30 1.561 -6.333 -4.089 1.00 0.00 C ATOM 391 O ASN A 30 2.072 -5.868 -3.070 1.00 0.00 O ATOM 392 CB ASN A 30 -0.142 -7.793 -2.980 1.00 0.00 C ATOM 393 CG ASN A 30 -0.408 -9.217 -2.532 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.134 -9.962 -3.190 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.180 -9.602 -1.405 1.00 0.00 N ATOM 0 H ASN A 30 2.435 -8.689 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 30 0.443 -7.883 -5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.182 -7.200 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.070 -7.349 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.038 -10.549 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.774 -8.951 -0.892 1.00 0.00 H new ATOM 402 N VAL A 31 1.530 -5.679 -5.246 1.00 0.00 N ATOM 403 CA VAL A 31 2.106 -4.347 -5.387 1.00 0.00 C ATOM 404 C VAL A 31 1.058 -3.340 -5.844 1.00 0.00 C ATOM 405 O VAL A 31 -0.062 -3.710 -6.197 1.00 0.00 O ATOM 406 CB VAL A 31 3.275 -4.346 -6.390 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.157 -5.568 -6.185 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.752 -4.289 -7.817 1.00 0.00 C ATOM 0 H VAL A 31 1.112 -6.050 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 31 2.479 -4.057 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 31 3.881 -3.457 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.977 -5.549 -6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.561 -5.560 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.566 -6.472 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.591 -4.289 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.122 -5.158 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.167 -3.379 -7.954 1.00 0.00 H new ATOM 418 N PHE A 32 1.428 -2.064 -5.835 1.00 0.00 N ATOM 419 CA PHE A 32 0.518 -1.001 -6.248 1.00 0.00 C ATOM 420 C PHE A 32 1.291 0.255 -6.639 1.00 0.00 C ATOM 421 O PHE A 32 2.440 0.442 -6.237 1.00 0.00 O ATOM 422 CB PHE A 32 -0.467 -0.678 -5.123 1.00 0.00 C ATOM 423 CG PHE A 32 0.163 -0.667 -3.760 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.714 0.496 -3.246 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.204 -1.819 -2.992 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.294 0.510 -1.992 1.00 0.00 C ATOM 427 CE2 PHE A 32 0.782 -1.811 -1.736 1.00 0.00 C ATOM 428 CZ PHE A 32 1.329 -0.646 -1.236 1.00 0.00 C ATOM 0 H PHE A 32 2.351 -1.740 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.038 -1.350 -7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.918 0.296 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.274 -1.411 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.690 1.402 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.220 -2.734 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.719 1.423 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.806 -2.716 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.783 -0.638 -0.256 1.00 0.00 H new ATOM 438 N THR A 33 0.653 1.114 -7.428 1.00 0.00 N ATOM 439 CA THR A 33 1.280 2.351 -7.875 1.00 0.00 C ATOM 440 C THR A 33 0.943 3.508 -6.941 1.00 0.00 C ATOM 441 O THR A 33 -0.216 3.707 -6.577 1.00 0.00 O ATOM 442 CB THR A 33 0.841 2.718 -9.306 1.00 0.00 C ATOM 443 OG1 THR A 33 0.925 1.567 -10.154 1.00 0.00 O ATOM 444 CG2 THR A 33 1.709 3.833 -9.869 1.00 0.00 C ATOM 0 H THR A 33 -0.298 0.975 -7.770 1.00 0.00 H new ATOM 0 HA THR A 33 2.357 2.181 -7.864 1.00 0.00 H new ATOM 0 HB THR A 33 -0.191 3.067 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.643 1.808 -11.061 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.380 4.075 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.621 4.717 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.749 3.507 -9.894 1.00 0.00 H new ATOM 452 N VAL A 34 1.963 4.268 -6.556 1.00 0.00 N ATOM 453 CA VAL A 34 1.774 5.407 -5.665 1.00 0.00 C ATOM 454 C VAL A 34 2.337 6.684 -6.278 1.00 0.00 C ATOM 455 O VAL A 34 3.552 6.872 -6.341 1.00 0.00 O ATOM 456 CB VAL A 34 2.445 5.167 -4.299 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.205 6.349 -3.372 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.935 3.877 -3.675 1.00 0.00 C ATOM 0 H VAL A 34 2.929 4.116 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 34 0.700 5.521 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 34 3.520 5.069 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.686 6.162 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.623 7.252 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.134 6.482 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.419 3.723 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.856 3.943 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.163 3.039 -4.334 1.00 0.00 H new ATOM 468 N VAL A 35 1.446 7.560 -6.729 1.00 0.00 N ATOM 469 CA VAL A 35 1.853 8.822 -7.337 1.00 0.00 C ATOM 470 C VAL A 35 2.054 9.901 -6.279 1.00 0.00 C ATOM 471 O VAL A 35 1.109 10.306 -5.601 1.00 0.00 O ATOM 472 CB VAL A 35 0.814 9.311 -8.363 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.251 10.634 -8.975 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.596 8.261 -9.442 1.00 0.00 C ATOM 0 H VAL A 35 0.437 7.420 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 35 2.798 8.638 -7.848 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.133 9.471 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.505 10.965 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.352 11.383 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.210 10.504 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.141 8.623 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.537 8.067 -9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.236 7.339 -8.985 1.00 0.00 H new ATOM 484 N THR A 36 3.293 10.365 -6.143 1.00 0.00 N ATOM 485 CA THR A 36 3.619 11.397 -5.168 1.00 0.00 C ATOM 486 C THR A 36 4.410 12.531 -5.810 1.00 0.00 C ATOM 487 O THR A 36 5.377 13.030 -5.234 1.00 0.00 O ATOM 488 CB THR A 36 4.431 10.822 -3.991 1.00 0.00 C ATOM 489 OG1 THR A 36 5.718 10.392 -4.448 1.00 0.00 O ATOM 490 CG2 THR A 36 3.699 9.654 -3.348 1.00 0.00 C ATOM 0 H THR A 36 4.087 10.042 -6.696 1.00 0.00 H new ATOM 0 HA THR A 36 2.673 11.786 -4.792 1.00 0.00 H new ATOM 0 HB THR A 36 4.554 11.607 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.229 10.030 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.291 9.265 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.732 9.991 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.548 8.868 -4.087 1.00 0.00 H new ATOM 498 N ARG A 37 3.994 12.933 -7.007 1.00 0.00 N ATOM 499 CA ARG A 37 4.665 14.007 -7.728 1.00 0.00 C ATOM 500 C ARG A 37 4.070 15.363 -7.360 1.00 0.00 C ATOM 501 O ARG A 37 4.578 16.407 -7.767 1.00 0.00 O ATOM 502 CB ARG A 37 4.555 13.783 -9.237 1.00 0.00 C ATOM 503 CG ARG A 37 3.123 13.731 -9.743 1.00 0.00 C ATOM 504 CD ARG A 37 2.612 15.115 -10.112 1.00 0.00 C ATOM 505 NE ARG A 37 1.188 15.104 -10.437 1.00 0.00 N ATOM 506 CZ ARG A 37 0.599 16.025 -11.192 1.00 0.00 C ATOM 507 NH1 ARG A 37 1.308 17.026 -11.696 1.00 0.00 N ATOM 508 NH2 ARG A 37 -0.701 15.946 -11.444 1.00 0.00 N ATOM 0 H ARG A 37 3.195 12.531 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 37 5.717 14.001 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.085 14.583 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.056 12.850 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.067 13.077 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.481 13.297 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.789 15.800 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.176 15.494 -10.965 1.00 0.00 H new ATOM 0 HE ARG A 37 0.614 14.348 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.308 17.090 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.854 17.732 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.250 15.178 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.152 16.654 -12.024 1.00 0.00 H new ATOM 522 N GLY A 38 2.988 15.339 -6.586 1.00 0.00 N ATOM 523 CA GLY A 38 2.342 16.572 -6.177 1.00 0.00 C ATOM 524 C GLY A 38 2.438 16.809 -4.683 1.00 0.00 C ATOM 525 O GLY A 38 2.475 17.952 -4.230 1.00 0.00 O ATOM 0 H GLY A 38 2.548 14.488 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.798 17.410 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.293 16.543 -6.471 1.00 0.00 H new ATOM 529 N ALA A 39 2.476 15.725 -3.915 1.00 0.00 N ATOM 530 CA ALA A 39 2.569 15.820 -2.463 1.00 0.00 C ATOM 531 C ALA A 39 3.665 16.794 -2.045 1.00 0.00 C ATOM 532 O ALA A 39 3.414 17.747 -1.309 1.00 0.00 O ATOM 533 CB ALA A 39 2.822 14.446 -1.860 1.00 0.00 C ATOM 0 H ALA A 39 2.444 14.771 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 39 1.619 16.201 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.889 14.531 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.002 13.777 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.757 14.044 -2.251 1.00 0.00 H new ATOM 539 N GLY A 40 4.882 16.547 -2.520 1.00 0.00 N ATOM 540 CA GLY A 40 5.999 17.412 -2.184 1.00 0.00 C ATOM 541 C GLY A 40 7.269 16.634 -1.900 1.00 0.00 C ATOM 542 O GLY A 40 7.733 15.864 -2.741 1.00 0.00 O ATOM 0 H GLY A 40 5.115 15.764 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.177 18.106 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.741 18.011 -1.311 1.00 0.00 H new ATOM 546 N ILE A 41 7.832 16.837 -0.714 1.00 0.00 N ATOM 547 CA ILE A 41 9.056 16.149 -0.323 1.00 0.00 C ATOM 548 C ILE A 41 8.972 15.653 1.117 1.00 0.00 C ATOM 549 O ILE A 41 8.683 16.422 2.033 1.00 0.00 O ATOM 550 CB ILE A 41 10.286 17.064 -0.467 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.346 17.656 -1.877 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.560 16.292 -0.157 1.00 0.00 C ATOM 553 CD1 ILE A 41 11.225 18.883 -1.980 1.00 0.00 C ATOM 0 H ILE A 41 7.460 17.472 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 41 9.166 15.296 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 41 10.197 17.882 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.715 16.896 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.337 17.914 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.421 16.952 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.517 15.914 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.657 15.456 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.220 19.249 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.845 19.660 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.244 18.626 -1.691 1.00 0.00 H new ATOM 565 N GLY A 42 9.227 14.362 1.308 1.00 0.00 N ATOM 566 CA GLY A 42 9.176 13.786 2.639 1.00 0.00 C ATOM 567 C GLY A 42 9.341 12.279 2.624 1.00 0.00 C ATOM 568 O GLY A 42 9.329 11.656 1.563 1.00 0.00 O ATOM 0 H GLY A 42 9.468 13.705 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.960 14.228 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.224 14.040 3.105 1.00 0.00 H new ATOM 572 N GLY A 43 9.497 11.690 3.806 1.00 0.00 N ATOM 573 CA GLY A 43 9.665 10.252 3.903 1.00 0.00 C ATOM 574 C GLY A 43 8.341 9.514 3.913 1.00 0.00 C ATOM 575 O GLY A 43 7.510 9.724 4.798 1.00 0.00 O ATOM 0 H GLY A 43 9.510 12.184 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.266 9.902 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.217 10.014 4.812 1.00 0.00 H new ATOM 579 N LEU A 44 8.141 8.647 2.927 1.00 0.00 N ATOM 580 CA LEU A 44 6.908 7.875 2.824 1.00 0.00 C ATOM 581 C LEU A 44 7.019 6.565 3.598 1.00 0.00 C ATOM 582 O LEU A 44 7.979 5.814 3.433 1.00 0.00 O ATOM 583 CB LEU A 44 6.583 7.587 1.357 1.00 0.00 C ATOM 584 CG LEU A 44 5.480 6.560 1.103 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.170 7.018 1.724 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.309 6.319 -0.390 1.00 0.00 C ATOM 0 H LEU A 44 8.818 8.461 2.187 1.00 0.00 H new ATOM 0 HA LEU A 44 6.102 8.466 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.297 8.524 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.493 7.243 0.865 1.00 0.00 H new ATOM 0 HG LEU A 44 5.771 5.620 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.397 6.274 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.300 7.138 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.873 7.971 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.520 5.585 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.041 7.254 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.244 5.945 -0.808 1.00 0.00 H new ATOM 598 N GLY A 45 6.028 6.297 4.443 1.00 0.00 N ATOM 599 CA GLY A 45 6.032 5.076 5.228 1.00 0.00 C ATOM 600 C GLY A 45 4.848 4.182 4.918 1.00 0.00 C ATOM 601 O GLY A 45 3.722 4.470 5.325 1.00 0.00 O ATOM 0 H GLY A 45 5.223 6.903 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.956 4.529 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.024 5.330 6.288 1.00 0.00 H new ATOM 605 N ILE A 46 5.101 3.097 4.194 1.00 0.00 N ATOM 606 CA ILE A 46 4.046 2.160 3.829 1.00 0.00 C ATOM 607 C ILE A 46 4.171 0.859 4.615 1.00 0.00 C ATOM 608 O ILE A 46 5.161 0.137 4.489 1.00 0.00 O ATOM 609 CB ILE A 46 4.073 1.841 2.322 1.00 0.00 C ATOM 610 CG1 ILE A 46 4.043 3.134 1.504 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.902 0.945 1.950 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.324 2.925 0.033 1.00 0.00 C ATOM 0 H ILE A 46 6.027 2.845 3.849 1.00 0.00 H new ATOM 0 HA ILE A 46 3.098 2.640 4.073 1.00 0.00 H new ATOM 0 HB ILE A 46 4.998 1.311 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.065 3.602 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.778 3.829 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.935 0.728 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.964 0.013 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.967 1.451 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.286 3.884 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.314 2.485 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.575 2.255 -0.389 1.00 0.00 H new ATOM 624 N THR A 47 3.159 0.564 5.425 1.00 0.00 N ATOM 625 CA THR A 47 3.155 -0.650 6.231 1.00 0.00 C ATOM 626 C THR A 47 1.846 -1.414 6.067 1.00 0.00 C ATOM 627 O THR A 47 0.847 -0.862 5.605 1.00 0.00 O ATOM 628 CB THR A 47 3.367 -0.334 7.724 1.00 0.00 C ATOM 629 OG1 THR A 47 2.504 0.735 8.126 1.00 0.00 O ATOM 630 CG2 THR A 47 4.815 0.047 7.995 1.00 0.00 C ATOM 0 H THR A 47 2.332 1.149 5.540 1.00 0.00 H new ATOM 0 HA THR A 47 3.981 -1.267 5.877 1.00 0.00 H new ATOM 0 HB THR A 47 3.129 -1.228 8.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.644 0.928 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.941 0.266 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.467 -0.780 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.075 0.929 7.409 1.00 0.00 H new ATOM 638 N VAL A 48 1.858 -2.687 6.448 1.00 0.00 N ATOM 639 CA VAL A 48 0.670 -3.527 6.344 1.00 0.00 C ATOM 640 C VAL A 48 0.365 -4.214 7.671 1.00 0.00 C ATOM 641 O VAL A 48 1.232 -4.857 8.261 1.00 0.00 O ATOM 642 CB VAL A 48 0.835 -4.599 5.250 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.296 -5.613 5.322 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.895 -3.951 3.875 1.00 0.00 C ATOM 0 H VAL A 48 2.677 -3.160 6.831 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.159 -2.871 6.078 1.00 0.00 H new ATOM 0 HB VAL A 48 1.774 -5.126 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.163 -6.362 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.287 -6.099 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.250 -5.105 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.012 -4.723 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.027 -3.398 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.743 -3.267 3.832 1.00 0.00 H new ATOM 654 N GLU A 49 -0.873 -4.072 8.133 1.00 0.00 N ATOM 655 CA GLU A 49 -1.292 -4.679 9.391 1.00 0.00 C ATOM 656 C GLU A 49 -2.268 -5.826 9.143 1.00 0.00 C ATOM 657 O GLU A 49 -3.155 -5.728 8.297 1.00 0.00 O ATOM 658 CB GLU A 49 -1.939 -3.631 10.298 1.00 0.00 C ATOM 659 CG GLU A 49 -0.946 -2.654 10.905 1.00 0.00 C ATOM 660 CD GLU A 49 -1.454 -2.027 12.188 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.292 -2.658 12.865 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.015 -0.905 12.516 1.00 0.00 O ATOM 0 H GLU A 49 -1.603 -3.543 7.656 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.406 -5.079 9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.679 -3.074 9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.474 -4.138 11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.008 -3.172 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.728 -1.868 10.182 1.00 0.00 H new ATOM 669 N GLY A 50 -2.097 -6.913 9.889 1.00 0.00 N ATOM 670 CA GLY A 50 -2.969 -8.063 9.736 1.00 0.00 C ATOM 671 C GLY A 50 -2.682 -9.148 10.755 1.00 0.00 C ATOM 672 O GLY A 50 -1.898 -8.963 11.686 1.00 0.00 O ATOM 0 H GLY A 50 -1.370 -7.018 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.007 -7.744 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.853 -8.472 8.732 1.00 0.00 H new ATOM 676 N PRO A 51 -3.328 -10.311 10.584 1.00 0.00 N ATOM 677 CA PRO A 51 -3.155 -11.453 11.487 1.00 0.00 C ATOM 678 C PRO A 51 -1.775 -12.088 11.361 1.00 0.00 C ATOM 679 O PRO A 51 -1.415 -12.974 12.136 1.00 0.00 O ATOM 680 CB PRO A 51 -4.239 -12.433 11.032 1.00 0.00 C ATOM 681 CG PRO A 51 -4.487 -12.086 9.604 1.00 0.00 C ATOM 682 CD PRO A 51 -4.276 -10.601 9.496 1.00 0.00 C ATOM 0 HA PRO A 51 -3.238 -11.161 12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.908 -13.466 11.137 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.145 -12.326 11.629 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.805 -12.626 8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.499 -12.359 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.869 -10.323 8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.210 -10.052 9.620 1.00 0.00 H new ATOM 690 N SER A 52 -1.005 -11.629 10.379 1.00 0.00 N ATOM 691 CA SER A 52 0.336 -12.156 10.150 1.00 0.00 C ATOM 692 C SER A 52 1.234 -11.097 9.518 1.00 0.00 C ATOM 693 O SER A 52 0.783 -10.287 8.709 1.00 0.00 O ATOM 694 CB SER A 52 0.274 -13.391 9.249 1.00 0.00 C ATOM 695 OG SER A 52 -0.194 -13.055 7.954 1.00 0.00 O ATOM 0 H SER A 52 -1.286 -10.894 9.730 1.00 0.00 H new ATOM 0 HA SER A 52 0.759 -12.439 11.114 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.264 -13.842 9.176 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.384 -14.137 9.694 1.00 0.00 H new ATOM 0 HG SER A 52 -1.050 -12.583 8.028 1.00 0.00 H new ATOM 701 N GLU A 53 2.509 -11.110 9.895 1.00 0.00 N ATOM 702 CA GLU A 53 3.472 -10.151 9.367 1.00 0.00 C ATOM 703 C GLU A 53 3.728 -10.398 7.883 1.00 0.00 C ATOM 704 O GLU A 53 4.127 -11.492 7.485 1.00 0.00 O ATOM 705 CB GLU A 53 4.787 -10.234 10.143 1.00 0.00 C ATOM 706 CG GLU A 53 4.816 -9.363 11.388 1.00 0.00 C ATOM 707 CD GLU A 53 5.785 -9.874 12.436 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.854 -10.393 12.053 1.00 0.00 O ATOM 709 OE2 GLU A 53 5.475 -9.754 13.640 1.00 0.00 O ATOM 0 H GLU A 53 2.899 -11.774 10.564 1.00 0.00 H new ATOM 0 HA GLU A 53 3.052 -9.152 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.964 -11.270 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.606 -9.941 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.092 -8.346 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.815 -9.315 11.817 1.00 0.00 H new ATOM 716 N SER A 54 3.494 -9.373 7.069 1.00 0.00 N ATOM 717 CA SER A 54 3.694 -9.479 5.629 1.00 0.00 C ATOM 718 C SER A 54 5.053 -8.914 5.227 1.00 0.00 C ATOM 719 O SER A 54 5.531 -7.939 5.808 1.00 0.00 O ATOM 720 CB SER A 54 2.581 -8.742 4.882 1.00 0.00 C ATOM 721 OG SER A 54 1.304 -9.211 5.278 1.00 0.00 O ATOM 0 H SER A 54 3.166 -8.460 7.383 1.00 0.00 H new ATOM 0 HA SER A 54 3.664 -10.535 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.655 -7.672 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.706 -8.881 3.808 1.00 0.00 H new ATOM 0 HG SER A 54 0.610 -8.723 4.788 1.00 0.00 H new ATOM 727 N LYS A 55 5.672 -9.532 4.227 1.00 0.00 N ATOM 728 CA LYS A 55 6.975 -9.092 3.743 1.00 0.00 C ATOM 729 C LYS A 55 6.835 -7.881 2.828 1.00 0.00 C ATOM 730 O LYS A 55 6.579 -8.021 1.631 1.00 0.00 O ATOM 731 CB LYS A 55 7.676 -10.230 2.998 1.00 0.00 C ATOM 732 CG LYS A 55 8.443 -11.173 3.909 1.00 0.00 C ATOM 733 CD LYS A 55 9.476 -11.977 3.137 1.00 0.00 C ATOM 734 CE LYS A 55 9.720 -13.334 3.780 1.00 0.00 C ATOM 735 NZ LYS A 55 11.080 -13.856 3.474 1.00 0.00 N ATOM 0 H LYS A 55 5.291 -10.341 3.735 1.00 0.00 H new ATOM 0 HA LYS A 55 7.577 -8.805 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.933 -10.801 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.364 -9.805 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.938 -10.600 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.746 -11.851 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.138 -12.115 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.412 -11.421 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.597 -13.252 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.971 -14.043 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.207 -14.782 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.189 -13.959 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.796 -13.192 3.833 1.00 0.00 H new ATOM 749 N ILE A 56 7.006 -6.692 3.396 1.00 0.00 N ATOM 750 CA ILE A 56 6.901 -5.457 2.630 1.00 0.00 C ATOM 751 C ILE A 56 8.255 -5.045 2.062 1.00 0.00 C ATOM 752 O ILE A 56 9.296 -5.294 2.669 1.00 0.00 O ATOM 753 CB ILE A 56 6.347 -4.306 3.490 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.846 -4.493 3.726 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.620 -2.966 2.822 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.283 -3.576 4.788 1.00 0.00 C ATOM 0 H ILE A 56 7.218 -6.558 4.385 1.00 0.00 H new ATOM 0 HA ILE A 56 6.210 -5.653 1.810 1.00 0.00 H new ATOM 0 HB ILE A 56 6.852 -4.318 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.315 -4.321 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.658 -5.527 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.222 -2.163 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.695 -2.832 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.138 -2.942 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.215 -3.764 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.788 -3.764 5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.440 -2.538 4.493 1.00 0.00 H new ATOM 768 N ASN A 57 8.233 -4.412 0.893 1.00 0.00 N ATOM 769 CA ASN A 57 9.459 -3.964 0.244 1.00 0.00 C ATOM 770 C ASN A 57 9.196 -2.745 -0.634 1.00 0.00 C ATOM 771 O ASN A 57 8.539 -2.844 -1.672 1.00 0.00 O ATOM 772 CB ASN A 57 10.057 -5.094 -0.599 1.00 0.00 C ATOM 773 CG ASN A 57 10.644 -6.202 0.253 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.694 -6.033 0.874 1.00 0.00 O ATOM 775 ND2 ASN A 57 9.968 -7.344 0.287 1.00 0.00 N ATOM 0 H ASN A 57 7.380 -4.198 0.377 1.00 0.00 H new ATOM 0 HA ASN A 57 10.170 -3.683 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.285 -5.508 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.833 -4.688 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.315 -8.125 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.102 -7.440 -0.243 1.00 0.00 H new ATOM 782 N CYS A 58 9.712 -1.596 -0.212 1.00 0.00 N ATOM 783 CA CYS A 58 9.533 -0.357 -0.960 1.00 0.00 C ATOM 784 C CYS A 58 10.680 -0.143 -1.942 1.00 0.00 C ATOM 785 O CYS A 58 11.827 -0.490 -1.658 1.00 0.00 O ATOM 786 CB CYS A 58 9.438 0.832 -0.002 1.00 0.00 C ATOM 787 SG CYS A 58 7.762 1.177 0.581 1.00 0.00 S ATOM 0 H CYS A 58 10.258 -1.497 0.644 1.00 0.00 H new ATOM 0 HA CYS A 58 8.605 -0.435 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.079 0.643 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.828 1.719 -0.501 1.00 0.00 H new ATOM 0 HG CYS A 58 7.784 2.197 1.387 1.00 0.00 H new ATOM 793 N ARG A 59 10.363 0.429 -3.099 1.00 0.00 N ATOM 794 CA ARG A 59 11.366 0.685 -4.125 1.00 0.00 C ATOM 795 C ARG A 59 11.456 2.176 -4.437 1.00 0.00 C ATOM 796 O ARG A 59 10.501 2.924 -4.222 1.00 0.00 O ATOM 797 CB ARG A 59 11.036 -0.094 -5.399 1.00 0.00 C ATOM 798 CG ARG A 59 12.232 -0.304 -6.312 1.00 0.00 C ATOM 799 CD ARG A 59 13.266 -1.220 -5.675 1.00 0.00 C ATOM 800 NE ARG A 59 14.283 -1.646 -6.633 1.00 0.00 N ATOM 801 CZ ARG A 59 15.480 -2.102 -6.279 1.00 0.00 C ATOM 802 NH1 ARG A 59 15.807 -2.190 -4.997 1.00 0.00 N ATOM 803 NH2 ARG A 59 16.351 -2.471 -7.209 1.00 0.00 N ATOM 0 H ARG A 59 9.419 0.724 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 59 12.331 0.351 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.624 -1.065 -5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.259 0.437 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.899 -0.732 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.689 0.658 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.745 -0.703 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.768 -2.097 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 59 14.063 -1.590 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.139 -1.907 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.726 -2.540 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.102 -2.405 -8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.270 -2.821 -6.937 1.00 0.00 H new ATOM 817 N ASP A 60 12.607 2.602 -4.944 1.00 0.00 N ATOM 818 CA ASP A 60 12.821 4.003 -5.286 1.00 0.00 C ATOM 819 C ASP A 60 12.781 4.205 -6.798 1.00 0.00 C ATOM 820 O ASP A 60 13.585 3.632 -7.532 1.00 0.00 O ATOM 821 CB ASP A 60 14.161 4.487 -4.730 1.00 0.00 C ATOM 822 CG ASP A 60 14.518 5.880 -5.211 1.00 0.00 C ATOM 823 OD1 ASP A 60 13.958 6.857 -4.670 1.00 0.00 O ATOM 824 OD2 ASP A 60 15.359 5.993 -6.127 1.00 0.00 O ATOM 0 H ASP A 60 13.407 1.997 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 60 12.018 4.588 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.123 4.481 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.946 3.791 -5.026 1.00 0.00 H new ATOM 829 N ASN A 61 11.839 5.023 -7.255 1.00 0.00 N ATOM 830 CA ASN A 61 11.693 5.300 -8.680 1.00 0.00 C ATOM 831 C ASN A 61 12.315 6.646 -9.039 1.00 0.00 C ATOM 832 O ASN A 61 11.932 7.684 -8.498 1.00 0.00 O ATOM 833 CB ASN A 61 10.215 5.288 -9.074 1.00 0.00 C ATOM 834 CG ASN A 61 9.686 3.883 -9.292 1.00 0.00 C ATOM 835 OD1 ASN A 61 10.071 3.204 -10.244 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.800 3.441 -8.407 1.00 0.00 N ATOM 0 H ASN A 61 11.165 5.506 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 61 12.216 4.519 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.630 5.777 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.080 5.870 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.410 2.503 -8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.510 4.039 -7.633 1.00 0.00 H new ATOM 843 N LYS A 62 13.276 6.621 -9.956 1.00 0.00 N ATOM 844 CA LYS A 62 13.952 7.838 -10.390 1.00 0.00 C ATOM 845 C LYS A 62 13.196 8.499 -11.539 1.00 0.00 C ATOM 846 O LYS A 62 13.801 8.964 -12.505 1.00 0.00 O ATOM 847 CB LYS A 62 15.386 7.524 -10.823 1.00 0.00 C ATOM 848 CG LYS A 62 16.303 8.735 -10.812 1.00 0.00 C ATOM 849 CD LYS A 62 17.764 8.326 -10.728 1.00 0.00 C ATOM 850 CE LYS A 62 18.688 9.490 -11.052 1.00 0.00 C ATOM 851 NZ LYS A 62 18.727 10.491 -9.950 1.00 0.00 N ATOM 0 H LYS A 62 13.605 5.771 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 62 13.977 8.530 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.797 6.761 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.369 7.101 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.140 9.324 -11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.054 9.374 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.982 7.955 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.954 7.506 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.694 9.114 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.355 9.974 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.368 11.268 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.771 10.869 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.069 10.036 -9.080 1.00 0.00 H new ATOM 865 N ASP A 63 11.873 8.538 -11.426 1.00 0.00 N ATOM 866 CA ASP A 63 11.036 9.144 -12.454 1.00 0.00 C ATOM 867 C ASP A 63 10.003 10.080 -11.832 1.00 0.00 C ATOM 868 O ASP A 63 9.894 11.243 -12.216 1.00 0.00 O ATOM 869 CB ASP A 63 10.332 8.061 -13.274 1.00 0.00 C ATOM 870 CG ASP A 63 9.956 6.854 -12.436 1.00 0.00 C ATOM 871 OD1 ASP A 63 8.853 6.859 -11.850 1.00 0.00 O ATOM 872 OD2 ASP A 63 10.765 5.905 -12.368 1.00 0.00 O ATOM 0 H ASP A 63 11.357 8.157 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 63 11.679 9.727 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.433 8.479 -13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.983 7.745 -14.089 1.00 0.00 H new ATOM 877 N GLY A 64 9.246 9.562 -10.870 1.00 0.00 N ATOM 878 CA GLY A 64 8.232 10.364 -10.211 1.00 0.00 C ATOM 879 C GLY A 64 7.091 9.525 -9.670 1.00 0.00 C ATOM 880 O GLY A 64 5.932 9.742 -10.021 1.00 0.00 O ATOM 0 H GLY A 64 9.317 8.601 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.689 10.921 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.838 11.097 -10.915 1.00 0.00 H new ATOM 884 N SER A 65 7.420 8.564 -8.813 1.00 0.00 N ATOM 885 CA SER A 65 6.414 7.686 -8.226 1.00 0.00 C ATOM 886 C SER A 65 7.026 6.814 -7.134 1.00 0.00 C ATOM 887 O SER A 65 8.231 6.863 -6.887 1.00 0.00 O ATOM 888 CB SER A 65 5.784 6.805 -9.306 1.00 0.00 C ATOM 889 OG SER A 65 6.778 6.185 -10.103 1.00 0.00 O ATOM 0 H SER A 65 8.375 8.373 -8.510 1.00 0.00 H new ATOM 0 HA SER A 65 5.639 8.308 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.160 6.043 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.132 7.409 -9.937 1.00 0.00 H new ATOM 0 HG SER A 65 7.238 6.864 -10.640 1.00 0.00 H new ATOM 895 N CYS A 66 6.186 6.016 -6.484 1.00 0.00 N ATOM 896 CA CYS A 66 6.642 5.132 -5.417 1.00 0.00 C ATOM 897 C CYS A 66 6.048 3.736 -5.576 1.00 0.00 C ATOM 898 O CYS A 66 4.849 3.583 -5.808 1.00 0.00 O ATOM 899 CB CYS A 66 6.262 5.708 -4.052 1.00 0.00 C ATOM 900 SG CYS A 66 7.345 7.040 -3.486 1.00 0.00 S ATOM 0 H CYS A 66 5.186 5.963 -6.677 1.00 0.00 H new ATOM 0 HA CYS A 66 7.727 5.055 -5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.239 6.081 -4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.275 4.905 -3.315 1.00 0.00 H new ATOM 0 HG CYS A 66 6.942 7.463 -2.325 1.00 0.00 H new ATOM 906 N SER A 67 6.897 2.720 -5.452 1.00 0.00 N ATOM 907 CA SER A 67 6.457 1.337 -5.588 1.00 0.00 C ATOM 908 C SER A 67 6.614 0.585 -4.270 1.00 0.00 C ATOM 909 O SER A 67 7.657 0.658 -3.621 1.00 0.00 O ATOM 910 CB SER A 67 7.254 0.632 -6.688 1.00 0.00 C ATOM 911 OG SER A 67 6.637 0.802 -7.952 1.00 0.00 O ATOM 0 H SER A 67 7.892 2.829 -5.258 1.00 0.00 H new ATOM 0 HA SER A 67 5.401 1.342 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.268 1.030 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.335 -0.431 -6.459 1.00 0.00 H new ATOM 0 HG SER A 67 7.166 0.344 -8.638 1.00 0.00 H new ATOM 917 N ALA A 68 5.569 -0.138 -3.880 1.00 0.00 N ATOM 918 CA ALA A 68 5.591 -0.905 -2.641 1.00 0.00 C ATOM 919 C ALA A 68 4.944 -2.273 -2.831 1.00 0.00 C ATOM 920 O ALA A 68 3.834 -2.377 -3.351 1.00 0.00 O ATOM 921 CB ALA A 68 4.887 -0.136 -1.532 1.00 0.00 C ATOM 0 H ALA A 68 4.697 -0.208 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 68 6.632 -1.060 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.911 -0.720 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.394 0.815 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.851 0.049 -1.818 1.00 0.00 H new ATOM 927 N GLU A 69 5.646 -3.319 -2.406 1.00 0.00 N ATOM 928 CA GLU A 69 5.140 -4.680 -2.531 1.00 0.00 C ATOM 929 C GLU A 69 5.083 -5.367 -1.170 1.00 0.00 C ATOM 930 O GLU A 69 5.955 -5.167 -0.324 1.00 0.00 O ATOM 931 CB GLU A 69 6.019 -5.489 -3.487 1.00 0.00 C ATOM 932 CG GLU A 69 7.411 -5.769 -2.943 1.00 0.00 C ATOM 933 CD GLU A 69 8.234 -6.643 -3.870 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.045 -6.545 -5.100 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.066 -7.425 -3.364 1.00 0.00 O ATOM 0 H GLU A 69 6.567 -3.249 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 69 4.129 -4.628 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.526 -6.436 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.108 -4.950 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.931 -4.825 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.326 -6.255 -1.971 1.00 0.00 H new ATOM 942 N TYR A 70 4.050 -6.177 -0.965 1.00 0.00 N ATOM 943 CA TYR A 70 3.877 -6.892 0.294 1.00 0.00 C ATOM 944 C TYR A 70 3.396 -8.319 0.048 1.00 0.00 C ATOM 945 O TYR A 70 2.754 -8.604 -0.963 1.00 0.00 O ATOM 946 CB TYR A 70 2.881 -6.154 1.190 1.00 0.00 C ATOM 947 CG TYR A 70 1.445 -6.285 0.737 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.683 -7.392 1.087 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.849 -5.300 -0.042 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.630 -7.516 0.674 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.463 -5.415 -0.459 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.198 -6.525 -0.098 1.00 0.00 C ATOM 953 OH TYR A 70 -2.505 -6.644 -0.511 1.00 0.00 O ATOM 0 H TYR A 70 3.320 -6.355 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 70 4.844 -6.935 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.968 -6.536 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.148 -5.098 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.124 -8.170 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.422 -4.430 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.208 -8.384 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.911 -4.640 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.779 -5.822 -0.969 1.00 0.00 H new ATOM 963 N ILE A 71 3.712 -9.211 0.981 1.00 0.00 N ATOM 964 CA ILE A 71 3.311 -10.608 0.868 1.00 0.00 C ATOM 965 C ILE A 71 2.892 -11.171 2.222 1.00 0.00 C ATOM 966 O ILE A 71 3.718 -11.435 3.095 1.00 0.00 O ATOM 967 CB ILE A 71 4.448 -11.475 0.295 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.903 -10.927 -1.060 1.00 0.00 C ATOM 969 CG2 ILE A 71 3.996 -12.921 0.162 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.249 -11.454 -1.503 1.00 0.00 C ATOM 0 H ILE A 71 4.244 -8.991 1.823 1.00 0.00 H new ATOM 0 HA ILE A 71 2.462 -10.638 0.186 1.00 0.00 H new ATOM 0 HB ILE A 71 5.293 -11.441 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.157 -11.179 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.947 -9.839 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.810 -13.521 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.716 -13.306 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.138 -12.974 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.508 -11.024 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.007 -11.179 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.204 -12.540 -1.589 1.00 0.00 H new ATOM 982 N PRO A 72 1.576 -11.360 2.401 1.00 0.00 N ATOM 983 CA PRO A 72 1.016 -11.896 3.646 1.00 0.00 C ATOM 984 C PRO A 72 1.356 -13.369 3.847 1.00 0.00 C ATOM 985 O PRO A 72 1.848 -14.033 2.935 1.00 0.00 O ATOM 986 CB PRO A 72 -0.493 -11.716 3.462 1.00 0.00 C ATOM 987 CG PRO A 72 -0.696 -11.705 1.987 1.00 0.00 C ATOM 988 CD PRO A 72 0.534 -11.067 1.403 1.00 0.00 C ATOM 0 HA PRO A 72 1.416 -11.389 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.049 -12.527 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.839 -10.788 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.830 -12.717 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.591 -11.143 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.781 -11.488 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.402 -9.994 1.263 1.00 0.00 H new ATOM 996 N PHE A 73 1.089 -13.874 5.047 1.00 0.00 N ATOM 997 CA PHE A 73 1.367 -15.269 5.368 1.00 0.00 C ATOM 998 C PHE A 73 0.100 -15.985 5.826 1.00 0.00 C ATOM 999 O PHE A 73 0.086 -17.206 5.982 1.00 0.00 O ATOM 1000 CB PHE A 73 2.439 -15.360 6.457 1.00 0.00 C ATOM 1001 CG PHE A 73 3.803 -14.939 5.991 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.037 -13.638 5.574 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.853 -15.844 5.970 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.291 -13.247 5.146 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.109 -15.458 5.543 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.328 -14.158 5.129 1.00 0.00 C ATOM 0 H PHE A 73 0.681 -13.338 5.813 1.00 0.00 H new ATOM 0 HA PHE A 73 1.733 -15.757 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.143 -14.736 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.489 -16.386 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.229 -12.921 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.687 -16.862 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.460 -12.230 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.919 -16.172 5.533 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.309 -13.855 4.793 1.00 0.00 H new ATOM 1016 N ALA A 74 -0.963 -15.216 6.039 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.235 -15.776 6.477 1.00 0.00 C ATOM 1018 C ALA A 74 -3.408 -14.977 5.918 1.00 0.00 C ATOM 1019 O ALA A 74 -3.355 -13.752 5.798 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.299 -15.817 7.996 1.00 0.00 C ATOM 0 H ALA A 74 -0.968 -14.204 5.915 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.306 -16.794 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.255 -16.238 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.488 -16.437 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.201 -14.806 8.392 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.492 -15.683 5.566 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.699 -15.060 5.014 1.00 0.00 C ATOM 1028 C PRO A 75 -6.452 -14.235 6.051 1.00 0.00 C ATOM 1029 O PRO A 75 -6.570 -14.634 7.209 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.543 -16.255 4.565 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.087 -17.384 5.425 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.625 -17.145 5.681 1.00 0.00 C ATOM 0 HA PRO A 75 -5.465 -14.361 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.607 -16.061 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.389 -16.474 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.647 -17.414 6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.245 -18.341 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.327 -17.499 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.000 -17.664 4.954 1.00 0.00 H new ATOM 1040 N GLY A 76 -6.961 -13.081 5.628 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.697 -12.219 6.534 1.00 0.00 C ATOM 1042 C GLY A 76 -7.789 -10.792 6.030 1.00 0.00 C ATOM 1043 O GLY A 76 -7.418 -10.504 4.892 1.00 0.00 O ATOM 0 H GLY A 76 -6.877 -12.728 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.702 -12.617 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.213 -12.226 7.511 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.287 -9.898 6.877 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.428 -8.494 6.510 1.00 0.00 C ATOM 1049 C ASP A 77 -7.192 -7.699 6.921 1.00 0.00 C ATOM 1050 O ASP A 77 -6.833 -7.654 8.097 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.674 -7.896 7.165 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.710 -8.130 8.662 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -8.866 -7.547 9.374 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -10.582 -8.896 9.123 1.00 0.00 O ATOM 0 H ASP A 77 -8.600 -10.121 7.822 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.533 -8.436 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.706 -6.825 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.564 -8.331 6.711 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.546 -7.074 5.943 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.348 -6.283 6.202 1.00 0.00 C ATOM 1061 C TYR A 78 -5.615 -4.799 5.972 1.00 0.00 C ATOM 1062 O TYR A 78 -6.569 -4.427 5.289 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.199 -6.751 5.306 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.649 -8.107 5.687 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.386 -9.264 5.467 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.392 -8.231 6.267 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.887 -10.505 5.814 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.885 -9.468 6.615 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.637 -10.602 6.387 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.136 -11.836 6.734 1.00 0.00 O ATOM 0 H TYR A 78 -6.831 -7.099 4.964 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.068 -6.426 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.546 -6.786 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.394 -6.017 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.365 -9.192 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.802 -7.345 6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.473 -11.395 5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.905 -9.547 7.063 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.869 -12.485 6.783 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.764 -3.956 6.546 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.905 -2.512 6.404 1.00 0.00 C ATOM 1082 C ASP A 79 -3.585 -1.876 5.977 1.00 0.00 C ATOM 1083 O ASP A 79 -2.618 -1.857 6.739 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.382 -1.892 7.718 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.893 -1.873 7.834 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.558 -1.462 6.860 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.411 -2.269 8.899 1.00 0.00 O ATOM 0 H ASP A 79 -3.969 -4.248 7.114 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.648 -2.319 5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.963 -2.452 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.002 -0.873 7.795 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.552 -1.358 4.753 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.351 -0.722 4.224 1.00 0.00 C ATOM 1094 C VAL A 80 -2.186 0.687 4.781 1.00 0.00 C ATOM 1095 O VAL A 80 -2.880 1.615 4.368 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.383 -0.654 2.686 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.145 0.054 2.157 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.504 -2.050 2.094 1.00 0.00 C ATOM 0 H VAL A 80 -4.343 -1.366 4.109 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.505 -1.334 4.535 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.258 -0.079 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.185 0.093 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.108 1.068 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.254 -0.491 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.525 -1.983 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.650 -2.652 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.424 -2.516 2.447 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.259 0.841 5.722 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.001 2.138 6.336 1.00 0.00 C ATOM 1110 C ASN A 81 0.007 2.938 5.517 1.00 0.00 C ATOM 1111 O ASN A 81 1.177 2.566 5.419 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.484 1.955 7.765 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.546 1.409 8.699 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.229 2.165 9.390 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.690 0.089 8.724 1.00 0.00 N ATOM 0 H ASN A 81 -0.675 0.083 6.075 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.940 2.692 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.370 1.278 7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.128 2.913 8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.389 -0.336 9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.102 -0.499 8.134 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.455 4.037 4.930 1.00 0.00 N ATOM 1123 CA ILE A 82 0.407 4.890 4.121 1.00 0.00 C ATOM 1124 C ILE A 82 0.401 6.325 4.636 1.00 0.00 C ATOM 1125 O ILE A 82 -0.620 7.012 4.584 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.025 4.885 2.643 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.338 3.459 2.185 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.060 5.501 1.772 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -1.047 3.395 0.850 1.00 0.00 C ATOM 0 H ILE A 82 -1.421 4.358 4.999 1.00 0.00 H new ATOM 0 HA ILE A 82 1.415 4.484 4.198 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.929 5.485 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.592 2.894 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.956 2.971 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.740 5.490 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.239 6.529 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.980 4.925 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.237 2.354 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.994 3.931 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.422 3.853 0.084 1.00 0.00 H new ATOM 1141 N THR A 83 1.549 6.774 5.134 1.00 0.00 N ATOM 1142 CA THR A 83 1.677 8.128 5.658 1.00 0.00 C ATOM 1143 C THR A 83 2.831 8.869 4.992 1.00 0.00 C ATOM 1144 O THR A 83 3.933 8.335 4.866 1.00 0.00 O ATOM 1145 CB THR A 83 1.898 8.121 7.183 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.053 7.341 7.507 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.681 7.559 7.903 1.00 0.00 C ATOM 0 H THR A 83 2.404 6.219 5.185 1.00 0.00 H new ATOM 0 HA THR A 83 0.742 8.643 5.436 1.00 0.00 H new ATOM 0 HB THR A 83 2.052 9.149 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.730 7.452 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.860 7.564 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.191 8.173 7.677 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.501 6.537 7.570 1.00 0.00 H new ATOM 1155 N TYR A 84 2.571 10.101 4.569 1.00 0.00 N ATOM 1156 CA TYR A 84 3.588 10.914 3.915 1.00 0.00 C ATOM 1157 C TYR A 84 4.284 11.829 4.918 1.00 0.00 C ATOM 1158 O TYR A 84 3.714 12.821 5.370 1.00 0.00 O ATOM 1159 CB TYR A 84 2.961 11.749 2.797 1.00 0.00 C ATOM 1160 CG TYR A 84 3.958 12.222 1.762 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.887 11.346 1.214 1.00 0.00 C ATOM 1162 CD2 TYR A 84 3.971 13.543 1.334 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.800 11.773 0.269 1.00 0.00 C ATOM 1164 CE2 TYR A 84 4.879 13.978 0.388 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.792 13.090 -0.141 1.00 0.00 C ATOM 1166 OH TYR A 84 6.699 13.520 -1.082 1.00 0.00 O ATOM 0 H TYR A 84 1.664 10.558 4.668 1.00 0.00 H new ATOM 0 HA TYR A 84 4.332 10.243 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.190 11.158 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.467 12.616 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.896 10.314 1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.259 14.242 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.516 11.079 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.874 15.008 0.064 1.00 0.00 H new ATOM 0 HH TYR A 84 6.229 14.005 -1.792 1.00 0.00 H new ATOM 1176 N GLY A 85 5.522 11.485 5.263 1.00 0.00 N ATOM 1177 CA GLY A 85 6.277 12.285 6.210 1.00 0.00 C ATOM 1178 C GLY A 85 5.734 12.177 7.621 1.00 0.00 C ATOM 1179 O GLY A 85 6.372 11.593 8.496 1.00 0.00 O ATOM 0 H GLY A 85 6.015 10.667 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.320 11.967 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.259 13.329 5.896 1.00 0.00 H new ATOM 1183 N GLY A 86 4.552 12.744 7.844 1.00 0.00 N ATOM 1184 CA GLY A 86 3.945 12.700 9.162 1.00 0.00 C ATOM 1185 C GLY A 86 2.439 12.859 9.111 1.00 0.00 C ATOM 1186 O GLY A 86 1.819 13.275 10.089 1.00 0.00 O ATOM 0 H GLY A 86 4.004 13.233 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.191 11.752 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.370 13.490 9.781 1.00 0.00 H new ATOM 1190 N ALA A 87 1.848 12.529 7.967 1.00 0.00 N ATOM 1191 CA ALA A 87 0.405 12.637 7.793 1.00 0.00 C ATOM 1192 C ALA A 87 -0.145 11.445 7.017 1.00 0.00 C ATOM 1193 O ALA A 87 0.528 10.895 6.145 1.00 0.00 O ATOM 1194 CB ALA A 87 0.055 13.937 7.086 1.00 0.00 C ATOM 0 H ALA A 87 2.347 12.185 7.147 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.056 12.638 8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.026 14.004 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.406 14.780 7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.534 13.959 6.107 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.373 11.051 7.340 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.014 9.923 6.672 1.00 0.00 C ATOM 1202 C HIS A 88 -2.711 10.375 5.392 1.00 0.00 C ATOM 1203 O HIS A 88 -3.439 11.368 5.388 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.022 9.255 7.607 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.409 8.239 8.521 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.356 6.894 8.222 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.820 8.378 9.731 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.762 6.249 9.210 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.426 7.127 10.138 1.00 0.00 N ATOM 0 H HIS A 88 -1.944 11.495 8.059 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.241 9.201 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.513 10.022 8.206 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.796 8.774 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.685 9.301 10.275 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.582 5.185 9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.951 6.911 11.014 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.483 9.640 4.309 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.089 9.965 3.024 1.00 0.00 C ATOM 1220 C ILE A 89 -4.583 9.655 3.027 1.00 0.00 C ATOM 1221 O ILE A 89 -5.055 8.762 3.730 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.419 9.192 1.873 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.729 7.698 1.984 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.916 9.428 1.882 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.466 6.930 0.708 1.00 0.00 C ATOM 0 H ILE A 89 -1.883 8.815 4.296 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.941 11.034 2.867 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.820 9.558 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.129 7.269 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.774 7.572 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.456 8.875 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.714 10.492 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.500 9.086 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.708 5.878 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.086 7.333 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.415 7.025 0.436 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.345 10.408 2.220 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.796 10.232 2.110 1.00 0.00 C ATOM 1239 C PRO A 90 -7.170 8.930 1.409 1.00 0.00 C ATOM 1240 O PRO A 90 -7.244 8.873 0.183 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.237 11.435 1.273 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.032 11.809 0.482 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.849 11.491 1.354 1.00 0.00 C ATOM 0 HA PRO A 90 -7.275 10.177 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.074 11.179 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.566 12.259 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.990 11.249 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.050 12.867 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.989 11.172 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.534 12.358 1.935 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.404 7.885 2.197 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.767 6.598 1.634 1.00 0.00 C ATOM 1253 C GLY A 91 -7.245 5.437 2.456 1.00 0.00 C ATOM 1254 O GLY A 91 -7.649 4.292 2.253 1.00 0.00 O ATOM 0 H GLY A 91 -7.349 7.907 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.852 6.529 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.376 6.526 0.619 1.00 0.00 H new ATOM 1258 N SER A 92 -6.342 5.731 3.386 1.00 0.00 N ATOM 1259 CA SER A 92 -5.759 4.701 4.238 1.00 0.00 C ATOM 1260 C SER A 92 -6.330 4.777 5.651 1.00 0.00 C ATOM 1261 O SER A 92 -6.758 5.832 6.119 1.00 0.00 O ATOM 1262 CB SER A 92 -4.236 4.848 4.283 1.00 0.00 C ATOM 1263 OG SER A 92 -3.719 4.422 5.532 1.00 0.00 O ATOM 0 H SER A 92 -5.998 6.674 3.569 1.00 0.00 H new ATOM 0 HA SER A 92 -6.011 3.729 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.787 4.262 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.963 5.889 4.109 1.00 0.00 H new ATOM 0 HG SER A 92 -3.120 5.110 5.890 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.337 3.631 6.347 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.831 2.369 5.801 1.00 0.00 C ATOM 1271 C PRO A 93 -6.723 1.817 4.695 1.00 0.00 C ATOM 1272 O PRO A 93 -7.940 2.005 4.713 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.835 1.431 7.010 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.877 1.989 7.918 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.842 3.479 7.723 1.00 0.00 C ATOM 0 HA PRO A 93 -4.850 2.489 5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.072 0.408 6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.859 1.406 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.861 1.587 7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.671 1.726 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.831 3.923 7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.187 3.964 8.447 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.112 1.134 3.733 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.852 0.554 2.618 1.00 0.00 C ATOM 1285 C PHE A 94 -7.124 -0.928 2.858 1.00 0.00 C ATOM 1286 O PHE A 94 -6.199 -1.737 2.930 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.074 0.736 1.312 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.948 2.170 0.885 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -5.056 3.020 1.520 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.720 2.669 -0.152 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.939 4.341 1.129 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.607 3.988 -0.547 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.714 4.825 0.093 1.00 0.00 C ATOM 0 H PHE A 94 -5.106 0.968 3.703 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.807 1.073 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.077 0.311 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.569 0.172 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.446 2.646 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.419 2.019 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.242 4.994 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.216 4.364 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.622 5.856 -0.216 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.401 -1.276 2.982 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.796 -2.660 3.216 1.00 0.00 C ATOM 1305 C ARG A 95 -8.424 -3.540 2.027 1.00 0.00 C ATOM 1306 O ARG A 95 -8.686 -3.190 0.876 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.301 -2.745 3.477 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.836 -4.168 3.494 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.187 -4.994 4.593 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.032 -6.109 5.011 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.057 -5.982 5.846 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.363 -4.794 6.349 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.779 -7.044 6.179 1.00 0.00 N ATOM 0 H ARG A 95 -9.179 -0.619 2.924 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.261 -3.021 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.523 -2.271 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.827 -2.177 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.916 -4.150 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.653 -4.638 2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.229 -5.377 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.979 -4.355 5.451 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.824 -7.037 4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.811 -3.975 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.151 -4.699 6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.547 -7.960 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.566 -6.945 6.820 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.812 -4.685 2.313 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.404 -5.616 1.267 1.00 0.00 C ATOM 1329 C VAL A 96 -7.670 -7.058 1.682 1.00 0.00 C ATOM 1330 O VAL A 96 -6.957 -7.636 2.503 1.00 0.00 O ATOM 1331 CB VAL A 96 -5.911 -5.458 0.926 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -5.560 -6.257 -0.319 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.559 -3.989 0.744 1.00 0.00 C ATOM 0 H VAL A 96 -7.588 -4.990 3.260 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.997 -5.380 0.383 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.323 -5.849 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.501 -6.133 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.773 -7.312 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.154 -5.900 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.500 -3.896 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.154 -3.570 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.771 -3.447 1.666 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.721 -7.657 1.102 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.105 -9.041 1.395 1.00 0.00 C ATOM 1345 C PRO A 97 -8.102 -10.050 0.845 1.00 0.00 C ATOM 1346 O PRO A 97 -8.016 -10.258 -0.365 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.456 -9.191 0.691 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.425 -8.184 -0.406 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.615 -7.029 0.115 1.00 0.00 C ATOM 0 HA PRO A 97 -9.144 -9.235 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.588 -10.199 0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.283 -9.004 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.975 -8.602 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.433 -7.865 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.054 -6.540 -0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.248 -6.268 0.573 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.346 -10.675 1.742 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.350 -11.663 1.346 1.00 0.00 C ATOM 1359 C VAL A 98 -6.955 -13.061 1.292 1.00 0.00 C ATOM 1360 O VAL A 98 -7.298 -13.642 2.322 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.152 -11.671 2.314 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.199 -12.808 1.976 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.431 -10.332 2.280 1.00 0.00 C ATOM 0 H VAL A 98 -7.404 -10.515 2.748 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.002 -11.382 0.352 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.526 -11.831 3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.359 -12.797 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.725 -13.759 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.830 -12.683 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.587 -10.355 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.069 -10.139 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.120 -9.540 2.576 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.083 -13.598 0.083 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.645 -14.930 -0.107 1.00 0.00 C ATOM 1375 C LYS A 99 -6.546 -15.949 -0.391 1.00 0.00 C ATOM 1376 O LYS A 99 -5.448 -15.589 -0.816 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.655 -14.920 -1.257 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.694 -13.818 -1.145 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.314 -13.497 -2.494 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.516 -12.576 -2.350 1.00 0.00 C ATOM 1381 NZ LYS A 99 -12.687 -13.281 -1.760 1.00 0.00 N ATOM 0 H LYS A 99 -6.805 -13.131 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.154 -15.217 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.119 -14.808 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.163 -15.884 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.475 -14.122 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.231 -12.921 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.569 -13.027 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.619 -14.421 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.249 -11.726 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.787 -12.177 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.536 -12.690 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.832 -14.185 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.512 -13.461 -0.751 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.849 -17.220 -0.153 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.887 -18.292 -0.385 1.00 0.00 C ATOM 1397 C ASP A 100 -6.088 -18.913 -1.764 1.00 0.00 C ATOM 1398 O ASP A 100 -7.182 -19.369 -2.098 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.017 -19.366 0.696 1.00 0.00 C ATOM 1400 CG ASP A 100 -6.283 -18.777 2.068 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -7.407 -18.283 2.293 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -5.367 -18.810 2.916 1.00 0.00 O ATOM 0 H ASP A 100 -7.753 -17.534 0.200 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.886 -17.864 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.827 -20.046 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.102 -19.957 0.729 1.00 0.00 H new ATOM 1407 N VAL A 101 -5.025 -18.927 -2.561 1.00 0.00 N ATOM 1408 CA VAL A 101 -5.084 -19.492 -3.904 1.00 0.00 C ATOM 1409 C VAL A 101 -5.852 -20.809 -3.913 1.00 0.00 C ATOM 1410 O VAL A 101 -6.816 -20.973 -4.660 1.00 0.00 O ATOM 1411 CB VAL A 101 -3.673 -19.729 -4.476 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -3.756 -20.360 -5.857 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.892 -18.424 -4.523 1.00 0.00 C ATOM 0 H VAL A 101 -4.112 -18.554 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.605 -18.767 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.144 -20.419 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.750 -20.520 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.275 -21.316 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.302 -19.697 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.898 -18.609 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.416 -17.709 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.802 -18.017 -3.516 1.00 0.00 H new ATOM 1423 N VAL A 102 -5.418 -21.746 -3.076 1.00 0.00 N ATOM 1424 CA VAL A 102 -6.065 -23.049 -2.985 1.00 0.00 C ATOM 1425 C VAL A 102 -5.479 -23.876 -1.846 1.00 0.00 C ATOM 1426 O VAL A 102 -4.264 -23.910 -1.651 1.00 0.00 O ATOM 1427 CB VAL A 102 -5.926 -23.838 -4.301 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -4.475 -24.226 -4.540 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -6.819 -25.069 -4.281 1.00 0.00 C ATOM 0 H VAL A 102 -4.621 -21.627 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.121 -22.864 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.246 -23.198 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.396 -24.783 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -3.863 -23.326 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.124 -24.848 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -6.708 -25.614 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.532 -25.713 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.858 -24.763 -4.160 1.00 0.00 H new ATOM 1439 N ASP A 103 -6.351 -24.541 -1.096 1.00 0.00 N ATOM 1440 CA ASP A 103 -5.921 -25.370 0.024 1.00 0.00 C ATOM 1441 C ASP A 103 -6.197 -26.844 -0.253 1.00 0.00 C ATOM 1442 O ASP A 103 -7.202 -27.208 -0.865 1.00 0.00 O ATOM 1443 CB ASP A 103 -6.630 -24.938 1.308 1.00 0.00 C ATOM 1444 CG ASP A 103 -8.133 -25.118 1.228 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -8.758 -24.501 0.341 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -8.685 -25.876 2.053 1.00 0.00 O ATOM 0 H ASP A 103 -7.360 -24.522 -1.243 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.846 -25.238 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.242 -25.517 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.403 -23.891 1.511 1.00 0.00 H new ATOM 1451 N PRO A 104 -5.286 -27.714 0.206 1.00 0.00 N ATOM 1452 CA PRO A 104 -5.409 -29.163 0.019 1.00 0.00 C ATOM 1453 C PRO A 104 -6.541 -29.760 0.849 1.00 0.00 C ATOM 1454 O PRO A 104 -6.442 -29.855 2.072 1.00 0.00 O ATOM 1455 CB PRO A 104 -4.057 -29.699 0.494 1.00 0.00 C ATOM 1456 CG PRO A 104 -3.558 -28.672 1.452 1.00 0.00 C ATOM 1457 CD PRO A 104 -4.064 -27.351 0.943 1.00 0.00 C ATOM 0 HA PRO A 104 -5.646 -29.422 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.163 -30.671 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.368 -29.830 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.924 -28.868 2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.469 -28.680 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.277 -26.661 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.335 -26.864 0.296 1.00 0.00 H new ATOM 1465 N SER A 105 -7.614 -30.162 0.175 1.00 0.00 N ATOM 1466 CA SER A 105 -8.766 -30.747 0.852 1.00 0.00 C ATOM 1467 C SER A 105 -8.997 -32.182 0.388 1.00 0.00 C ATOM 1468 O SER A 105 -9.143 -32.443 -0.805 1.00 0.00 O ATOM 1469 CB SER A 105 -10.018 -29.907 0.591 1.00 0.00 C ATOM 1470 OG SER A 105 -10.584 -30.213 -0.671 1.00 0.00 O ATOM 0 H SER A 105 -7.710 -30.093 -0.838 1.00 0.00 H new ATOM 0 HA SER A 105 -8.561 -30.758 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.752 -30.089 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.764 -28.848 0.632 1.00 0.00 H new ATOM 0 HG SER A 105 -10.042 -30.898 -1.116 1.00 0.00 H new TER 1476 SER A 105