USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-0.7) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.6!) USER MOD Single : A 102 SER OG : rot 180:sc= -0.697 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -85:sc= 0.504 USER MOD Single : A 121 LYS NZ :NH3+ -164:sc= 0.766 (180deg=0.589) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 123 GLN : amide:sc= -4.61 K(o=-4.6,f=-9.5!) USER MOD Single : A 124 CYS SG : rot -106:sc= 1.25 USER MOD Single : A 126 SER OG : rot 157:sc= -0.737 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN :FLIP amide:sc= -1.18 F(o=-4,f=-1.2) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 161:sc= -0.533 (180deg=-2.3) USER MOD Single : A 138 SER OG : rot -89:sc= 1.2 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 58.088 0.956 17.311 1.00 0.00 N ATOM 2 CA GLY A 54 59.285 0.187 16.989 1.00 0.00 C ATOM 3 C GLY A 54 60.460 1.111 16.684 1.00 0.00 C ATOM 4 O GLY A 54 60.328 2.334 16.735 1.00 0.00 O ATOM 0 HA2 GLY A 54 59.538 -0.466 17.824 1.00 0.00 H new ATOM 0 HA3 GLY A 54 59.090 -0.455 16.130 1.00 0.00 H new ATOM 8 N GLY A 55 61.606 0.520 16.367 1.00 0.00 N ATOM 9 CA GLY A 55 62.797 1.301 16.054 1.00 0.00 C ATOM 10 C GLY A 55 62.658 1.986 14.698 1.00 0.00 C ATOM 11 O GLY A 55 61.869 1.560 13.855 1.00 0.00 O ATOM 0 H GLY A 55 61.736 -0.491 16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 55 62.960 2.050 16.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 63.672 0.651 16.050 1.00 0.00 H new ATOM 15 N ALA A 56 63.429 3.046 14.493 1.00 0.00 N ATOM 16 CA ALA A 56 63.384 3.778 13.233 1.00 0.00 C ATOM 17 C ALA A 56 61.977 4.302 12.964 1.00 0.00 C ATOM 18 O ALA A 56 61.138 3.599 12.403 1.00 0.00 O ATOM 19 CB ALA A 56 63.837 2.878 12.078 1.00 0.00 C ATOM 0 H ALA A 56 64.089 3.416 15.177 1.00 0.00 H new ATOM 0 HA ALA A 56 64.063 4.627 13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.798 3.438 11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.858 2.542 12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 63.177 2.013 12.010 1.00 0.00 H new ATOM 25 N GLU A 57 61.734 5.545 13.360 1.00 0.00 N ATOM 26 CA GLU A 57 60.430 6.168 13.154 1.00 0.00 C ATOM 27 C GLU A 57 60.351 6.810 11.775 1.00 0.00 C ATOM 28 O GLU A 57 59.824 7.916 11.603 1.00 0.00 O ATOM 29 CB GLU A 57 60.183 7.226 14.213 1.00 0.00 C ATOM 30 CG GLU A 57 59.876 6.554 15.556 1.00 0.00 C ATOM 31 CD GLU A 57 59.848 7.595 16.671 1.00 0.00 C ATOM 32 OE1 GLU A 57 60.353 8.683 16.454 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.317 7.288 17.728 1.00 0.00 O ATOM 0 H GLU A 57 62.419 6.141 13.824 1.00 0.00 H new ATOM 0 HA GLU A 57 59.669 5.392 13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.058 7.869 14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.350 7.864 13.916 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.916 6.041 15.503 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.630 5.798 15.773 1.00 0.00 H new ATOM 40 N ALA A 58 60.862 6.093 10.798 1.00 0.00 N ATOM 41 CA ALA A 58 60.855 6.559 9.425 1.00 0.00 C ATOM 42 C ALA A 58 59.442 6.752 8.915 1.00 0.00 C ATOM 43 O ALA A 58 59.238 7.378 7.881 1.00 0.00 O ATOM 44 CB ALA A 58 61.644 5.624 8.510 1.00 0.00 C ATOM 0 H ALA A 58 61.291 5.177 10.929 1.00 0.00 H new ATOM 0 HA ALA A 58 61.351 7.530 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.617 6.005 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.678 5.570 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.201 4.629 8.537 1.00 0.00 H new ATOM 50 N LEU A 59 58.481 6.230 9.648 1.00 0.00 N ATOM 51 CA LEU A 59 57.086 6.362 9.270 1.00 0.00 C ATOM 52 C LEU A 59 56.756 7.805 8.893 1.00 0.00 C ATOM 53 O LEU A 59 55.822 8.051 8.129 1.00 0.00 O ATOM 54 CB LEU A 59 56.231 5.946 10.449 1.00 0.00 C ATOM 55 CG LEU A 59 56.275 4.426 10.573 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.853 4.028 11.985 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.300 3.792 9.572 1.00 0.00 C ATOM 0 H LEU A 59 58.639 5.709 10.511 1.00 0.00 H new ATOM 0 HA LEU A 59 56.889 5.729 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.598 6.411 11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.204 6.284 10.309 1.00 0.00 H new ATOM 0 HG LEU A 59 57.288 4.079 10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.882 2.943 12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.535 4.475 12.708 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.840 4.382 12.175 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.337 2.707 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.288 4.140 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.582 4.078 8.559 1.00 0.00 H new ATOM 69 N GLU A 60 57.530 8.750 9.414 1.00 0.00 N ATOM 70 CA GLU A 60 57.300 10.153 9.107 1.00 0.00 C ATOM 71 C GLU A 60 57.430 10.408 7.610 1.00 0.00 C ATOM 72 O GLU A 60 56.610 11.106 7.012 1.00 0.00 O ATOM 73 CB GLU A 60 58.310 11.017 9.857 1.00 0.00 C ATOM 74 CG GLU A 60 57.974 11.018 11.346 1.00 0.00 C ATOM 75 CD GLU A 60 56.738 11.873 11.603 1.00 0.00 C ATOM 76 OE1 GLU A 60 55.647 11.325 11.580 1.00 0.00 O ATOM 77 OE2 GLU A 60 56.898 13.062 11.818 1.00 0.00 O ATOM 0 H GLU A 60 58.313 8.572 10.043 1.00 0.00 H new ATOM 0 HA GLU A 60 56.288 10.411 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.319 10.634 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.292 12.035 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.798 9.998 11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.818 11.404 11.917 1.00 0.00 H new ATOM 84 N LEU A 61 58.461 9.837 7.009 1.00 0.00 N ATOM 85 CA LEU A 61 58.676 10.013 5.577 1.00 0.00 C ATOM 86 C LEU A 61 58.264 8.769 4.787 1.00 0.00 C ATOM 87 O LEU A 61 57.621 8.881 3.745 1.00 0.00 O ATOM 88 CB LEU A 61 60.148 10.295 5.319 1.00 0.00 C ATOM 89 CG LEU A 61 60.538 11.617 5.976 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.055 11.780 5.942 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.877 12.785 5.230 1.00 0.00 C ATOM 0 H LEU A 61 59.154 9.255 7.479 1.00 0.00 H new ATOM 0 HA LEU A 61 58.060 10.849 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.759 9.485 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.338 10.340 4.247 1.00 0.00 H new ATOM 0 HG LEU A 61 60.198 11.615 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.330 12.724 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.522 10.956 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.398 11.776 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.159 13.725 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.209 12.788 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.793 12.672 5.265 1.00 0.00 H new ATOM 103 N LEU A 62 58.623 7.591 5.310 1.00 0.00 N ATOM 104 CA LEU A 62 58.289 6.324 4.681 1.00 0.00 C ATOM 105 C LEU A 62 58.405 5.199 5.710 1.00 0.00 C ATOM 106 O LEU A 62 57.436 4.896 6.402 1.00 0.00 O ATOM 107 CB LEU A 62 59.205 6.069 3.474 1.00 0.00 C ATOM 108 CG LEU A 62 58.440 6.394 2.203 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.389 7.025 1.190 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.851 5.104 1.630 1.00 0.00 C ATOM 0 H LEU A 62 59.151 7.497 6.178 1.00 0.00 H new ATOM 0 HA LEU A 62 57.262 6.358 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.101 6.685 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.533 5.030 3.462 1.00 0.00 H new ATOM 0 HG LEU A 62 57.634 7.094 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.843 7.259 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.809 7.940 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 62 60.194 6.327 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.300 5.330 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.656 4.405 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.176 4.657 2.360 1.00 0.00 H new ATOM 122 N GLU A 63 59.602 4.601 5.797 1.00 0.00 N ATOM 123 CA GLU A 63 59.899 3.508 6.726 1.00 0.00 C ATOM 124 C GLU A 63 61.221 2.811 6.364 1.00 0.00 C ATOM 125 O GLU A 63 62.257 3.071 6.976 1.00 0.00 O ATOM 126 CB GLU A 63 58.770 2.495 6.690 1.00 0.00 C ATOM 127 CG GLU A 63 57.969 2.581 7.980 1.00 0.00 C ATOM 128 CD GLU A 63 57.537 1.184 8.411 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.224 0.386 7.542 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.530 0.927 9.605 1.00 0.00 O ATOM 0 H GLU A 63 60.398 4.868 5.217 1.00 0.00 H new ATOM 0 HA GLU A 63 59.997 3.928 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.123 2.687 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.173 1.490 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.570 3.044 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.094 3.214 7.834 1.00 0.00 H new ATOM 137 N HIS A 64 61.169 1.923 5.374 1.00 0.00 N ATOM 138 CA HIS A 64 62.351 1.187 4.938 1.00 0.00 C ATOM 139 C HIS A 64 62.823 1.698 3.590 1.00 0.00 C ATOM 140 O HIS A 64 62.109 2.417 2.892 1.00 0.00 O ATOM 141 CB HIS A 64 62.025 -0.306 4.849 1.00 0.00 C ATOM 142 CG HIS A 64 60.740 -0.499 4.111 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.540 -0.606 4.783 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.443 -0.610 2.778 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.581 -0.774 3.869 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.073 -0.784 2.626 1.00 0.00 N ATOM 0 H HIS A 64 60.319 1.696 4.858 1.00 0.00 H new ATOM 0 HA HIS A 64 63.149 1.337 5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.831 -0.834 4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 64 61.948 -0.731 5.850 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.161 -0.569 1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.533 -0.888 4.106 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.555 -0.895 1.755 1.00 0.00 H new ATOM 154 N CYS A 65 64.034 1.326 3.238 1.00 0.00 N ATOM 155 CA CYS A 65 64.618 1.744 1.978 1.00 0.00 C ATOM 156 C CYS A 65 64.089 0.891 0.833 1.00 0.00 C ATOM 157 O CYS A 65 63.789 -0.275 1.029 1.00 0.00 O ATOM 158 CB CYS A 65 66.131 1.627 2.053 1.00 0.00 C ATOM 159 SG CYS A 65 66.824 2.030 0.434 1.00 0.00 S ATOM 0 H CYS A 65 64.637 0.733 3.808 1.00 0.00 H new ATOM 0 HA CYS A 65 64.342 2.782 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.525 2.303 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.418 0.617 2.346 1.00 0.00 H new ATOM 164 N GLY A 66 63.965 1.477 -0.353 1.00 0.00 N ATOM 165 CA GLY A 66 63.454 0.738 -1.514 1.00 0.00 C ATOM 166 C GLY A 66 64.504 -0.207 -2.106 1.00 0.00 C ATOM 167 O GLY A 66 64.176 -1.293 -2.591 1.00 0.00 O ATOM 0 H GLY A 66 64.207 2.450 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.576 0.164 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 66 63.131 1.444 -2.279 1.00 0.00 H new ATOM 171 N VAL A 67 65.761 0.221 -2.086 1.00 0.00 N ATOM 172 CA VAL A 67 66.856 -0.575 -2.642 1.00 0.00 C ATOM 173 C VAL A 67 67.019 -1.898 -1.899 1.00 0.00 C ATOM 174 O VAL A 67 67.354 -2.921 -2.495 1.00 0.00 O ATOM 175 CB VAL A 67 68.165 0.215 -2.556 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.335 -0.690 -2.941 1.00 0.00 C ATOM 177 CG2 VAL A 67 68.104 1.405 -3.513 1.00 0.00 C ATOM 0 H VAL A 67 66.050 1.116 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 67 66.615 -0.792 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 67 68.306 0.574 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 67 70.266 -0.127 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.378 -1.539 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 67 69.196 -1.051 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 67 69.035 1.968 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.963 1.045 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 67 67.271 2.051 -3.237 1.00 0.00 H new ATOM 187 N CYS A 68 66.825 -1.855 -0.583 1.00 0.00 N ATOM 188 CA CYS A 68 66.993 -3.048 0.249 1.00 0.00 C ATOM 189 C CYS A 68 65.653 -3.575 0.740 1.00 0.00 C ATOM 190 O CYS A 68 65.504 -4.766 1.014 1.00 0.00 O ATOM 191 CB CYS A 68 67.878 -2.738 1.464 1.00 0.00 C ATOM 192 SG CYS A 68 68.429 -1.011 1.432 1.00 0.00 S ATOM 0 H CYS A 68 66.554 -1.015 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 68 67.468 -3.809 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.324 -2.931 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.743 -3.401 1.468 1.00 0.00 H new ATOM 197 N ARG A 69 64.680 -2.685 0.838 1.00 0.00 N ATOM 198 CA ARG A 69 63.343 -3.062 1.290 1.00 0.00 C ATOM 199 C ARG A 69 63.368 -3.496 2.755 1.00 0.00 C ATOM 200 O ARG A 69 62.504 -4.248 3.205 1.00 0.00 O ATOM 201 CB ARG A 69 62.798 -4.198 0.417 1.00 0.00 C ATOM 202 CG ARG A 69 63.187 -3.960 -1.047 1.00 0.00 C ATOM 203 CD ARG A 69 61.961 -4.084 -1.933 1.00 0.00 C ATOM 204 NE ARG A 69 61.661 -5.486 -2.213 1.00 0.00 N ATOM 205 CZ ARG A 69 60.485 -5.862 -2.723 1.00 0.00 C ATOM 206 NH1 ARG A 69 59.555 -4.979 -2.991 1.00 0.00 N ATOM 207 NH2 ARG A 69 60.257 -7.124 -2.956 1.00 0.00 N ATOM 0 H ARG A 69 64.786 -1.696 0.612 1.00 0.00 H new ATOM 0 HA ARG A 69 62.691 -2.193 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.196 -5.154 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.713 -4.253 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.629 -2.970 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.943 -4.683 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 69 61.106 -3.615 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 69 62.127 -3.550 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 69 62.367 -6.195 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 69 59.724 -3.989 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.662 -5.281 -3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 69 60.975 -7.819 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.361 -7.417 -3.345 1.00 0.00 H new ATOM 221 N GLU A 70 64.363 -3.007 3.488 1.00 0.00 N ATOM 222 CA GLU A 70 64.508 -3.332 4.900 1.00 0.00 C ATOM 223 C GLU A 70 64.503 -2.062 5.735 1.00 0.00 C ATOM 224 O GLU A 70 64.912 -0.996 5.277 1.00 0.00 O ATOM 225 CB GLU A 70 65.816 -4.092 5.122 1.00 0.00 C ATOM 226 CG GLU A 70 65.933 -5.219 4.094 1.00 0.00 C ATOM 227 CD GLU A 70 66.877 -6.300 4.613 1.00 0.00 C ATOM 228 OE1 GLU A 70 66.511 -6.976 5.560 1.00 0.00 O ATOM 229 OE2 GLU A 70 67.956 -6.436 4.057 1.00 0.00 O ATOM 0 H GLU A 70 65.083 -2.382 3.125 1.00 0.00 H new ATOM 0 HA GLU A 70 63.670 -3.958 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.664 -3.413 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 70 65.844 -4.502 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 70 64.950 -5.647 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 70 66.304 -4.823 3.148 1.00 0.00 H new ATOM 236 N ARG A 71 64.025 -2.190 6.959 1.00 0.00 N ATOM 237 CA ARG A 71 63.950 -1.057 7.863 1.00 0.00 C ATOM 238 C ARG A 71 65.290 -0.347 7.929 1.00 0.00 C ATOM 239 O ARG A 71 66.341 -0.961 7.744 1.00 0.00 O ATOM 240 CB ARG A 71 63.545 -1.545 9.250 1.00 0.00 C ATOM 241 CG ARG A 71 62.765 -0.454 9.987 1.00 0.00 C ATOM 242 CD ARG A 71 61.287 -0.550 9.611 1.00 0.00 C ATOM 243 NE ARG A 71 60.715 -1.798 10.110 1.00 0.00 N ATOM 244 CZ ARG A 71 59.521 -2.234 9.703 1.00 0.00 C ATOM 245 NH1 ARG A 71 58.819 -1.550 8.834 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.048 -3.354 10.173 1.00 0.00 N ATOM 0 H ARG A 71 63.683 -3.068 7.350 1.00 0.00 H new ATOM 0 HA ARG A 71 63.205 -0.352 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 71 62.934 -2.444 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.433 -1.817 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 71 62.886 -0.568 11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.156 0.529 9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 71 60.744 0.298 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.177 -0.499 8.528 1.00 0.00 H new ATOM 0 HE ARG A 71 61.242 -2.350 10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.184 -0.674 8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 71 57.908 -1.894 8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.590 -3.893 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.136 -3.692 9.865 1.00 0.00 H new ATOM 260 N LEU A 72 65.241 0.952 8.173 1.00 0.00 N ATOM 261 CA LEU A 72 66.449 1.750 8.239 1.00 0.00 C ATOM 262 C LEU A 72 67.113 1.595 9.603 1.00 0.00 C ATOM 263 O LEU A 72 66.529 1.931 10.632 1.00 0.00 O ATOM 264 CB LEU A 72 66.089 3.217 7.992 1.00 0.00 C ATOM 265 CG LEU A 72 65.465 3.370 6.595 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.792 4.745 6.485 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.561 3.242 5.520 1.00 0.00 C ATOM 0 H LEU A 72 64.378 1.474 8.328 1.00 0.00 H new ATOM 0 HA LEU A 72 67.151 1.411 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.389 3.563 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.981 3.839 8.073 1.00 0.00 H new ATOM 0 HG LEU A 72 64.721 2.588 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.349 4.855 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.013 4.830 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.535 5.527 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.115 3.351 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.309 4.021 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.035 2.264 5.598 1.00 0.00 H new ATOM 279 N ARG A 73 68.336 1.078 9.598 1.00 0.00 N ATOM 280 CA ARG A 73 69.078 0.886 10.840 1.00 0.00 C ATOM 281 C ARG A 73 70.001 2.081 11.089 1.00 0.00 C ATOM 282 O ARG A 73 70.224 2.897 10.200 1.00 0.00 O ATOM 283 CB ARG A 73 69.885 -0.407 10.798 1.00 0.00 C ATOM 284 CG ARG A 73 71.334 -0.102 10.484 1.00 0.00 C ATOM 285 CD ARG A 73 72.042 -1.394 10.151 1.00 0.00 C ATOM 286 NE ARG A 73 72.256 -2.186 11.355 1.00 0.00 N ATOM 287 CZ ARG A 73 72.836 -3.384 11.301 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.233 -3.886 10.156 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.016 -4.061 12.398 1.00 0.00 N ATOM 0 H ARG A 73 68.832 0.786 8.756 1.00 0.00 H new ATOM 0 HA ARG A 73 68.363 0.812 11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 73 69.812 -0.922 11.756 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.474 -1.078 10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.401 0.592 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.811 0.381 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.451 -1.964 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 73 72.999 -1.179 9.676 1.00 0.00 H new ATOM 0 HE ARG A 73 71.956 -1.816 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.099 -3.358 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 73 73.676 -4.804 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 73 72.714 -3.674 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 73 73.459 -4.979 12.364 1.00 0.00 H new ATOM 303 N PRO A 74 70.519 2.212 12.277 1.00 0.00 N ATOM 304 CA PRO A 74 71.428 3.345 12.628 1.00 0.00 C ATOM 305 C PRO A 74 72.603 3.495 11.651 1.00 0.00 C ATOM 306 O PRO A 74 72.847 4.577 11.105 1.00 0.00 O ATOM 307 CB PRO A 74 71.938 2.966 14.019 1.00 0.00 C ATOM 308 CG PRO A 74 70.891 2.069 14.589 1.00 0.00 C ATOM 309 CD PRO A 74 70.301 1.303 13.411 1.00 0.00 C ATOM 0 HA PRO A 74 70.910 4.303 12.587 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.901 2.459 13.961 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.080 3.850 14.641 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.320 1.386 15.322 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.122 2.646 15.103 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.801 0.346 13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.242 1.090 13.559 1.00 0.00 H new ATOM 317 N GLU A 75 73.311 2.398 11.410 1.00 0.00 N ATOM 318 CA GLU A 75 74.442 2.406 10.490 1.00 0.00 C ATOM 319 C GLU A 75 73.970 2.523 9.038 1.00 0.00 C ATOM 320 O GLU A 75 74.786 2.679 8.128 1.00 0.00 O ATOM 321 CB GLU A 75 75.265 1.127 10.661 1.00 0.00 C ATOM 322 CG GLU A 75 75.951 1.141 12.029 1.00 0.00 C ATOM 323 CD GLU A 75 76.702 -0.167 12.252 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.515 -1.076 11.458 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.451 -0.240 13.209 1.00 0.00 O ATOM 0 H GLU A 75 73.122 1.492 11.839 1.00 0.00 H new ATOM 0 HA GLU A 75 75.061 3.273 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.620 0.253 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.010 1.053 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.643 1.981 12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 75 75.209 1.282 12.815 1.00 0.00 H new ATOM 332 N ARG A 76 72.657 2.444 8.820 1.00 0.00 N ATOM 333 CA ARG A 76 72.110 2.542 7.472 1.00 0.00 C ATOM 334 C ARG A 76 72.290 3.941 6.915 1.00 0.00 C ATOM 335 O ARG A 76 72.302 4.131 5.699 1.00 0.00 O ATOM 336 CB ARG A 76 70.624 2.249 7.497 1.00 0.00 C ATOM 337 CG ARG A 76 70.211 1.651 6.162 1.00 0.00 C ATOM 338 CD ARG A 76 70.136 0.139 6.301 1.00 0.00 C ATOM 339 NE ARG A 76 71.475 -0.435 6.446 1.00 0.00 N ATOM 340 CZ ARG A 76 72.321 -0.521 5.416 1.00 0.00 C ATOM 341 NH1 ARG A 76 71.974 -0.105 4.226 1.00 0.00 N ATOM 342 NH2 ARG A 76 73.508 -1.027 5.597 1.00 0.00 N ATOM 0 H ARG A 76 71.960 2.314 9.554 1.00 0.00 H new ATOM 0 HA ARG A 76 72.640 1.822 6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.391 1.557 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.064 3.164 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.244 2.049 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.929 1.923 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.528 -0.122 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 76 69.645 -0.288 5.426 1.00 0.00 H new ATOM 0 HE ARG A 76 71.770 -0.779 7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 76 71.047 0.292 4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.631 -0.177 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.787 -1.355 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 76 74.158 -1.095 4.814 1.00 0.00 H new ATOM 356 N GLU A 77 72.410 4.921 7.808 1.00 0.00 N ATOM 357 CA GLU A 77 72.563 6.306 7.375 1.00 0.00 C ATOM 358 C GLU A 77 71.507 6.648 6.337 1.00 0.00 C ATOM 359 O GLU A 77 71.805 6.793 5.151 1.00 0.00 O ATOM 360 CB GLU A 77 73.953 6.521 6.784 1.00 0.00 C ATOM 361 CG GLU A 77 74.229 8.021 6.632 1.00 0.00 C ATOM 362 CD GLU A 77 75.665 8.243 6.165 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.353 7.260 5.937 1.00 0.00 O ATOM 364 OE2 GLU A 77 76.062 9.391 6.046 1.00 0.00 O ATOM 0 H GLU A 77 72.404 4.785 8.819 1.00 0.00 H new ATOM 0 HA GLU A 77 72.439 6.958 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.706 6.067 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.025 6.029 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.533 8.456 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.065 8.528 7.583 1.00 0.00 H new ATOM 371 N PRO A 78 70.290 6.765 6.765 1.00 0.00 N ATOM 372 CA PRO A 78 69.145 7.075 5.866 1.00 0.00 C ATOM 373 C PRO A 78 69.242 8.477 5.274 1.00 0.00 C ATOM 374 O PRO A 78 69.769 9.397 5.898 1.00 0.00 O ATOM 375 CB PRO A 78 67.925 6.959 6.782 1.00 0.00 C ATOM 376 CG PRO A 78 68.452 7.144 8.166 1.00 0.00 C ATOM 377 CD PRO A 78 69.865 6.594 8.159 1.00 0.00 C ATOM 0 HA PRO A 78 69.108 6.405 5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.179 7.716 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.441 5.988 6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.446 8.197 8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.833 6.617 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.512 7.140 8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.890 5.547 8.461 1.00 0.00 H new ATOM 385 N ARG A 79 68.733 8.623 4.060 1.00 0.00 N ATOM 386 CA ARG A 79 68.775 9.910 3.380 1.00 0.00 C ATOM 387 C ARG A 79 67.508 10.136 2.564 1.00 0.00 C ATOM 388 O ARG A 79 66.947 9.195 2.001 1.00 0.00 O ATOM 389 CB ARG A 79 69.988 9.949 2.456 1.00 0.00 C ATOM 390 CG ARG A 79 70.958 11.042 2.916 1.00 0.00 C ATOM 391 CD ARG A 79 72.395 10.639 2.583 1.00 0.00 C ATOM 392 NE ARG A 79 73.162 10.483 3.815 1.00 0.00 N ATOM 393 CZ ARG A 79 73.683 11.534 4.459 1.00 0.00 C ATOM 394 NH1 ARG A 79 73.520 12.750 4.010 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.351 11.346 5.561 1.00 0.00 N ATOM 0 H ARG A 79 68.290 7.874 3.529 1.00 0.00 H new ATOM 0 HA ARG A 79 68.847 10.699 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.489 8.981 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.670 10.141 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.714 11.986 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.856 11.202 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.400 9.706 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.857 11.396 1.949 1.00 0.00 H new ATOM 0 HE ARG A 79 73.305 9.547 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 79 72.988 12.911 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 79 73.925 13.539 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.474 10.402 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 79 74.751 12.142 6.057 1.00 0.00 H new ATOM 409 N LEU A 80 67.061 11.389 2.506 1.00 0.00 N ATOM 410 CA LEU A 80 65.852 11.726 1.759 1.00 0.00 C ATOM 411 C LEU A 80 66.196 12.323 0.397 1.00 0.00 C ATOM 412 O LEU A 80 66.942 13.300 0.300 1.00 0.00 O ATOM 413 CB LEU A 80 65.003 12.721 2.555 1.00 0.00 C ATOM 414 CG LEU A 80 63.723 13.045 1.787 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.534 12.503 2.565 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.592 14.564 1.649 1.00 0.00 C ATOM 0 H LEU A 80 67.513 12.181 2.963 1.00 0.00 H new ATOM 0 HA LEU A 80 65.287 10.807 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.756 12.302 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.570 13.634 2.735 1.00 0.00 H new ATOM 0 HG LEU A 80 63.755 12.591 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.614 12.728 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.634 11.423 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.501 12.968 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.680 14.802 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 80 63.549 15.017 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 80 64.453 14.956 1.108 1.00 0.00 H new ATOM 428 N LEU A 81 65.633 11.731 -0.650 1.00 0.00 N ATOM 429 CA LEU A 81 65.858 12.202 -2.014 1.00 0.00 C ATOM 430 C LEU A 81 64.848 13.283 -2.393 1.00 0.00 C ATOM 431 O LEU A 81 63.818 13.445 -1.736 1.00 0.00 O ATOM 432 CB LEU A 81 65.740 11.037 -2.993 1.00 0.00 C ATOM 433 CG LEU A 81 67.134 10.596 -3.426 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.929 10.130 -2.204 1.00 0.00 C ATOM 435 CD2 LEU A 81 67.004 9.451 -4.431 1.00 0.00 C ATOM 0 H LEU A 81 65.016 10.922 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 81 66.861 12.627 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.213 10.206 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 81 65.155 11.336 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 81 67.658 11.431 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.925 9.815 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 81 68.014 10.950 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.415 9.292 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.997 9.129 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.483 8.615 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.440 9.791 -5.299 1.00 0.00 H new ATOM 447 N PRO A 82 65.115 14.010 -3.439 1.00 0.00 N ATOM 448 CA PRO A 82 64.210 15.087 -3.924 1.00 0.00 C ATOM 449 C PRO A 82 62.924 14.524 -4.537 1.00 0.00 C ATOM 450 O PRO A 82 62.004 15.276 -4.868 1.00 0.00 O ATOM 451 CB PRO A 82 65.048 15.824 -4.975 1.00 0.00 C ATOM 452 CG PRO A 82 66.050 14.826 -5.453 1.00 0.00 C ATOM 453 CD PRO A 82 66.317 13.884 -4.288 1.00 0.00 C ATOM 0 HA PRO A 82 63.875 15.737 -3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.425 16.179 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.538 16.698 -4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.670 14.278 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.968 15.320 -5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.458 12.858 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.219 14.167 -3.746 1.00 0.00 H new ATOM 461 N CYS A 83 62.867 13.201 -4.674 1.00 0.00 N ATOM 462 CA CYS A 83 61.694 12.548 -5.234 1.00 0.00 C ATOM 463 C CYS A 83 60.756 12.098 -4.127 1.00 0.00 C ATOM 464 O CYS A 83 59.728 11.474 -4.399 1.00 0.00 O ATOM 465 CB CYS A 83 62.106 11.340 -6.068 1.00 0.00 C ATOM 466 SG CYS A 83 63.043 10.191 -5.032 1.00 0.00 S ATOM 0 H CYS A 83 63.618 12.565 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 83 61.178 13.267 -5.871 1.00 0.00 H new ATOM 0 HB2 CYS A 83 61.223 10.845 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.711 11.659 -6.917 1.00 0.00 H new ATOM 471 N LEU A 84 61.129 12.415 -2.886 1.00 0.00 N ATOM 472 CA LEU A 84 60.333 12.055 -1.726 1.00 0.00 C ATOM 473 C LEU A 84 60.455 10.575 -1.419 1.00 0.00 C ATOM 474 O LEU A 84 59.478 9.909 -1.078 1.00 0.00 O ATOM 475 CB LEU A 84 58.859 12.436 -1.953 1.00 0.00 C ATOM 476 CG LEU A 84 58.240 13.005 -0.677 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.801 13.454 -0.973 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.224 11.918 0.397 1.00 0.00 C ATOM 0 H LEU A 84 61.985 12.924 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 84 60.713 12.609 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.789 13.171 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.298 11.559 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 84 58.823 13.857 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.353 13.861 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.811 14.220 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.216 12.600 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.784 12.316 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.633 11.071 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.244 11.590 0.598 1.00 0.00 H new ATOM 490 N HIS A 85 61.666 10.065 -1.525 1.00 0.00 N ATOM 491 CA HIS A 85 61.908 8.671 -1.233 1.00 0.00 C ATOM 492 C HIS A 85 63.151 8.528 -0.371 1.00 0.00 C ATOM 493 O HIS A 85 64.253 8.890 -0.783 1.00 0.00 O ATOM 494 CB HIS A 85 62.085 7.897 -2.528 1.00 0.00 C ATOM 495 CG HIS A 85 60.814 7.967 -3.340 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.815 8.202 -4.706 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.494 7.835 -2.985 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.535 8.203 -5.122 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.688 7.983 -4.112 1.00 0.00 N ATOM 0 H HIS A 85 62.491 10.593 -1.809 1.00 0.00 H new ATOM 0 HA HIS A 85 61.053 8.268 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.916 8.310 -3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.333 6.858 -2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.135 7.645 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.230 8.362 -6.146 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.670 7.934 -4.157 1.00 0.00 H new ATOM 507 N SER A 86 62.963 7.996 0.821 1.00 0.00 N ATOM 508 CA SER A 86 64.080 7.810 1.739 1.00 0.00 C ATOM 509 C SER A 86 64.771 6.475 1.467 1.00 0.00 C ATOM 510 O SER A 86 64.115 5.451 1.274 1.00 0.00 O ATOM 511 CB SER A 86 63.588 7.833 3.183 1.00 0.00 C ATOM 512 OG SER A 86 62.473 8.710 3.291 1.00 0.00 O ATOM 0 H SER A 86 62.059 7.686 1.178 1.00 0.00 H new ATOM 0 HA SER A 86 64.788 8.624 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.306 6.828 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.388 8.162 3.846 1.00 0.00 H new ATOM 0 HG SER A 86 62.156 8.723 4.218 1.00 0.00 H new ATOM 518 N ALA A 87 66.102 6.500 1.446 1.00 0.00 N ATOM 519 CA ALA A 87 66.888 5.296 1.185 1.00 0.00 C ATOM 520 C ALA A 87 68.233 5.368 1.906 1.00 0.00 C ATOM 521 O ALA A 87 68.627 6.420 2.408 1.00 0.00 O ATOM 522 CB ALA A 87 67.111 5.126 -0.322 1.00 0.00 C ATOM 0 H ALA A 87 66.658 7.340 1.606 1.00 0.00 H new ATOM 0 HA ALA A 87 66.335 4.435 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.698 4.226 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.148 5.039 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.646 5.992 -0.711 1.00 0.00 H new ATOM 528 N CYS A 88 68.924 4.234 1.959 1.00 0.00 N ATOM 529 CA CYS A 88 70.217 4.167 2.625 1.00 0.00 C ATOM 530 C CYS A 88 71.266 4.904 1.800 1.00 0.00 C ATOM 531 O CYS A 88 71.322 4.741 0.589 1.00 0.00 O ATOM 532 CB CYS A 88 70.647 2.707 2.783 1.00 0.00 C ATOM 533 SG CYS A 88 69.207 1.679 3.156 1.00 0.00 S ATOM 0 H CYS A 88 68.611 3.353 1.550 1.00 0.00 H new ATOM 0 HA CYS A 88 70.128 4.633 3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 88 71.126 2.359 1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.384 2.620 3.582 1.00 0.00 H new ATOM 538 N SER A 89 72.095 5.708 2.453 1.00 0.00 N ATOM 539 CA SER A 89 73.122 6.462 1.747 1.00 0.00 C ATOM 540 C SER A 89 73.944 5.539 0.857 1.00 0.00 C ATOM 541 O SER A 89 74.219 5.863 -0.299 1.00 0.00 O ATOM 542 CB SER A 89 74.040 7.136 2.769 1.00 0.00 C ATOM 543 OG SER A 89 75.048 7.878 2.098 1.00 0.00 O ATOM 0 H SER A 89 72.077 5.854 3.462 1.00 0.00 H new ATOM 0 HA SER A 89 72.643 7.215 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.459 7.796 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.497 6.384 3.412 1.00 0.00 H new ATOM 0 HG SER A 89 75.631 8.308 2.758 1.00 0.00 H new ATOM 549 N ALA A 90 74.318 4.385 1.390 1.00 0.00 N ATOM 550 CA ALA A 90 75.088 3.428 0.615 1.00 0.00 C ATOM 551 C ALA A 90 74.286 2.981 -0.607 1.00 0.00 C ATOM 552 O ALA A 90 74.836 2.834 -1.700 1.00 0.00 O ATOM 553 CB ALA A 90 75.443 2.216 1.480 1.00 0.00 C ATOM 0 H ALA A 90 74.104 4.093 2.343 1.00 0.00 H new ATOM 0 HA ALA A 90 76.009 3.904 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 90 76.020 1.504 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 90 76.034 2.541 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.528 1.739 1.831 1.00 0.00 H new ATOM 559 N CYS A 91 72.984 2.778 -0.410 1.00 0.00 N ATOM 560 CA CYS A 91 72.096 2.366 -1.489 1.00 0.00 C ATOM 561 C CYS A 91 71.933 3.487 -2.511 1.00 0.00 C ATOM 562 O CYS A 91 71.776 3.238 -3.706 1.00 0.00 O ATOM 563 CB CYS A 91 70.739 1.941 -0.916 1.00 0.00 C ATOM 564 SG CYS A 91 70.960 0.380 -0.029 1.00 0.00 S ATOM 0 H CYS A 91 72.522 2.894 0.492 1.00 0.00 H new ATOM 0 HA CYS A 91 72.537 1.512 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.354 2.708 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 91 70.009 1.823 -1.717 1.00 0.00 H new ATOM 569 N LEU A 92 71.963 4.716 -2.021 1.00 0.00 N ATOM 570 CA LEU A 92 71.816 5.889 -2.875 1.00 0.00 C ATOM 571 C LEU A 92 72.985 6.021 -3.851 1.00 0.00 C ATOM 572 O LEU A 92 72.809 6.461 -4.992 1.00 0.00 O ATOM 573 CB LEU A 92 71.700 7.153 -2.016 1.00 0.00 C ATOM 574 CG LEU A 92 70.371 7.145 -1.249 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.307 8.360 -0.334 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.193 7.172 -2.224 1.00 0.00 C ATOM 0 H LEU A 92 72.088 4.930 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 92 70.905 5.766 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.534 7.205 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.760 8.039 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 92 70.311 6.234 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.363 8.355 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 92 71.135 8.327 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.377 9.269 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.258 7.166 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.246 8.074 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.235 6.295 -2.870 1.00 0.00 H new ATOM 588 N GLY A 93 74.173 5.644 -3.390 1.00 0.00 N ATOM 589 CA GLY A 93 75.371 5.720 -4.220 1.00 0.00 C ATOM 590 C GLY A 93 75.101 5.195 -5.631 1.00 0.00 C ATOM 591 O GLY A 93 75.141 5.958 -6.599 1.00 0.00 O ATOM 0 H GLY A 93 74.332 5.284 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.715 6.753 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.172 5.141 -3.761 1.00 0.00 H new ATOM 595 N PRO A 94 74.802 3.927 -5.765 1.00 0.00 N ATOM 596 CA PRO A 94 74.494 3.307 -7.090 1.00 0.00 C ATOM 597 C PRO A 94 73.241 3.906 -7.729 1.00 0.00 C ATOM 598 O PRO A 94 73.045 3.813 -8.942 1.00 0.00 O ATOM 599 CB PRO A 94 74.293 1.820 -6.766 1.00 0.00 C ATOM 600 CG PRO A 94 73.984 1.770 -5.310 1.00 0.00 C ATOM 601 CD PRO A 94 74.730 2.935 -4.677 1.00 0.00 C ATOM 0 HA PRO A 94 75.289 3.480 -7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.480 1.396 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 94 75.188 1.243 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.911 1.855 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.303 0.822 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 94 74.200 3.328 -3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.722 2.639 -4.337 1.00 0.00 H new ATOM 609 N ALA A 95 72.397 4.522 -6.906 1.00 0.00 N ATOM 610 CA ALA A 95 71.174 5.144 -7.400 1.00 0.00 C ATOM 611 C ALA A 95 71.517 6.243 -8.393 1.00 0.00 C ATOM 612 O ALA A 95 70.821 6.435 -9.397 1.00 0.00 O ATOM 613 CB ALA A 95 70.372 5.733 -6.242 1.00 0.00 C ATOM 0 H ALA A 95 72.537 4.603 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 95 70.572 4.382 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.462 6.194 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.109 4.941 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.971 6.486 -5.730 1.00 0.00 H new ATOM 619 N ALA A 96 72.585 6.976 -8.108 1.00 0.00 N ATOM 620 CA ALA A 96 72.990 8.054 -9.001 1.00 0.00 C ATOM 621 C ALA A 96 73.740 7.486 -10.222 1.00 0.00 C ATOM 622 O ALA A 96 74.754 6.813 -10.060 1.00 0.00 O ATOM 623 CB ALA A 96 73.886 9.057 -8.267 1.00 0.00 C ATOM 0 H ALA A 96 73.175 6.849 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 96 72.091 8.568 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.177 9.854 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.341 9.483 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.778 8.548 -7.902 1.00 0.00 H new ATOM 629 N PRO A 97 73.274 7.743 -11.432 1.00 0.00 N ATOM 630 CA PRO A 97 73.942 7.234 -12.677 1.00 0.00 C ATOM 631 C PRO A 97 75.427 7.593 -12.730 1.00 0.00 C ATOM 632 O PRO A 97 75.829 8.683 -12.327 1.00 0.00 O ATOM 633 CB PRO A 97 73.187 7.945 -13.804 1.00 0.00 C ATOM 634 CG PRO A 97 71.848 8.270 -13.238 1.00 0.00 C ATOM 635 CD PRO A 97 72.066 8.526 -11.754 1.00 0.00 C ATOM 0 HA PRO A 97 73.907 6.146 -12.738 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.710 8.848 -14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.098 7.305 -14.682 1.00 0.00 H new ATOM 0 HG2 PRO A 97 71.421 9.146 -13.726 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.150 7.447 -13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.211 9.587 -11.549 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.210 8.201 -11.163 1.00 0.00 H new ATOM 643 N ALA A 98 76.238 6.663 -13.231 1.00 0.00 N ATOM 644 CA ALA A 98 77.675 6.892 -13.333 1.00 0.00 C ATOM 645 C ALA A 98 78.225 6.264 -14.611 1.00 0.00 C ATOM 646 O ALA A 98 78.432 6.951 -15.612 1.00 0.00 O ATOM 647 CB ALA A 98 78.388 6.297 -12.116 1.00 0.00 C ATOM 0 H ALA A 98 75.927 5.752 -13.569 1.00 0.00 H new ATOM 0 HA ALA A 98 77.854 7.967 -13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.460 6.473 -12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.014 6.769 -11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.198 5.225 -12.072 1.00 0.00 H new ATOM 653 N ALA A 99 78.458 4.957 -14.571 1.00 0.00 N ATOM 654 CA ALA A 99 78.981 4.247 -15.733 1.00 0.00 C ATOM 655 C ALA A 99 79.195 2.772 -15.406 1.00 0.00 C ATOM 656 O ALA A 99 80.109 2.137 -15.934 1.00 0.00 O ATOM 657 CB ALA A 99 80.305 4.873 -16.176 1.00 0.00 C ATOM 0 H ALA A 99 78.295 4.371 -13.753 1.00 0.00 H new ATOM 0 HA ALA A 99 78.255 4.326 -16.542 1.00 0.00 H new ATOM 0 HB1 ALA A 99 80.689 4.337 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 99 80.144 5.919 -16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 99 81.028 4.810 -15.362 1.00 0.00 H new ATOM 663 N ALA A 100 78.351 2.234 -14.532 1.00 0.00 N ATOM 664 CA ALA A 100 78.461 0.831 -14.145 1.00 0.00 C ATOM 665 C ALA A 100 78.271 -0.076 -15.353 1.00 0.00 C ATOM 666 O ALA A 100 78.981 -1.070 -15.513 1.00 0.00 O ATOM 667 CB ALA A 100 77.409 0.500 -13.086 1.00 0.00 C ATOM 0 H ALA A 100 77.590 2.742 -14.081 1.00 0.00 H new ATOM 0 HA ALA A 100 79.457 0.664 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 100 77.496 -0.549 -12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 100 77.565 1.128 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 100 76.414 0.684 -13.491 1.00 0.00 H new ATOM 673 N ASN A 101 77.310 0.270 -16.202 1.00 0.00 N ATOM 674 CA ASN A 101 77.036 -0.521 -17.395 1.00 0.00 C ATOM 675 C ASN A 101 77.069 0.356 -18.641 1.00 0.00 C ATOM 676 O ASN A 101 77.408 -0.109 -19.730 1.00 0.00 O ATOM 677 CB ASN A 101 75.667 -1.190 -17.274 1.00 0.00 C ATOM 678 CG ASN A 101 75.578 -2.382 -18.221 1.00 0.00 C ATOM 679 OD1 ASN A 101 76.579 -3.055 -18.468 1.00 0.00 O ATOM 680 ND2 ASN A 101 74.433 -2.688 -18.766 1.00 0.00 N ATOM 0 H ASN A 101 76.711 1.088 -16.087 1.00 0.00 H new ATOM 0 HA ASN A 101 77.807 -1.286 -17.485 1.00 0.00 H new ATOM 0 HB2 ASN A 101 75.504 -1.519 -16.248 1.00 0.00 H new ATOM 0 HB3 ASN A 101 74.881 -0.472 -17.507 1.00 0.00 H new ATOM 0 HD21 ASN A 101 74.366 -3.486 -19.398 1.00 0.00 H new ATOM 0 HD22 ASN A 101 73.605 -2.129 -18.560 1.00 0.00 H new ATOM 687 N SER A 102 76.713 1.628 -18.476 1.00 0.00 N ATOM 688 CA SER A 102 76.705 2.555 -19.601 1.00 0.00 C ATOM 689 C SER A 102 78.129 2.887 -20.032 1.00 0.00 C ATOM 690 O SER A 102 79.070 2.761 -19.248 1.00 0.00 O ATOM 691 CB SER A 102 75.977 3.841 -19.208 1.00 0.00 C ATOM 692 OG SER A 102 76.766 4.555 -18.265 1.00 0.00 O ATOM 0 H SER A 102 76.430 2.035 -17.585 1.00 0.00 H new ATOM 0 HA SER A 102 76.187 2.082 -20.435 1.00 0.00 H new ATOM 0 HB2 SER A 102 75.798 4.456 -20.090 1.00 0.00 H new ATOM 0 HB3 SER A 102 75.002 3.605 -18.781 1.00 0.00 H new ATOM 0 HG SER A 102 76.304 5.381 -18.011 1.00 0.00 H new ATOM 698 N SER A 103 78.279 3.315 -21.280 1.00 0.00 N ATOM 699 CA SER A 103 79.592 3.669 -21.802 1.00 0.00 C ATOM 700 C SER A 103 80.178 4.846 -21.029 1.00 0.00 C ATOM 701 O SER A 103 81.358 4.848 -20.682 1.00 0.00 O ATOM 702 CB SER A 103 79.489 4.027 -23.284 1.00 0.00 C ATOM 703 OG SER A 103 80.779 4.363 -23.778 1.00 0.00 O ATOM 0 H SER A 103 77.513 3.425 -21.945 1.00 0.00 H new ATOM 0 HA SER A 103 80.251 2.809 -21.684 1.00 0.00 H new ATOM 0 HB2 SER A 103 79.080 3.187 -23.845 1.00 0.00 H new ATOM 0 HB3 SER A 103 78.805 4.865 -23.421 1.00 0.00 H new ATOM 0 HG SER A 103 80.716 4.592 -24.729 1.00 0.00 H new ATOM 709 N GLY A 104 79.344 5.850 -20.769 1.00 0.00 N ATOM 710 CA GLY A 104 79.791 7.033 -20.044 1.00 0.00 C ATOM 711 C GLY A 104 79.211 8.299 -20.662 1.00 0.00 C ATOM 712 O GLY A 104 78.041 8.337 -21.041 1.00 0.00 O ATOM 0 H GLY A 104 78.363 5.867 -21.048 1.00 0.00 H new ATOM 0 HA2 GLY A 104 79.487 6.961 -19.000 1.00 0.00 H new ATOM 0 HA3 GLY A 104 80.880 7.083 -20.057 1.00 0.00 H new ATOM 716 N ASP A 105 80.038 9.337 -20.761 1.00 0.00 N ATOM 717 CA ASP A 105 79.594 10.601 -21.339 1.00 0.00 C ATOM 718 C ASP A 105 78.362 11.124 -20.606 1.00 0.00 C ATOM 719 O ASP A 105 77.405 11.584 -21.229 1.00 0.00 O ATOM 720 CB ASP A 105 79.269 10.418 -22.821 1.00 0.00 C ATOM 721 CG ASP A 105 80.549 10.158 -23.608 1.00 0.00 C ATOM 722 OD1 ASP A 105 81.614 10.407 -23.067 1.00 0.00 O ATOM 723 OD2 ASP A 105 80.447 9.714 -24.740 1.00 0.00 O ATOM 0 H ASP A 105 81.010 9.328 -20.452 1.00 0.00 H new ATOM 0 HA ASP A 105 80.401 11.326 -21.234 1.00 0.00 H new ATOM 0 HB2 ASP A 105 78.578 9.585 -22.950 1.00 0.00 H new ATOM 0 HB3 ASP A 105 78.771 11.308 -23.205 1.00 0.00 H new ATOM 728 N GLY A 106 78.394 11.048 -19.280 1.00 0.00 N ATOM 729 CA GLY A 106 77.274 11.514 -18.470 1.00 0.00 C ATOM 730 C GLY A 106 77.291 13.034 -18.341 1.00 0.00 C ATOM 731 O GLY A 106 78.174 13.703 -18.881 1.00 0.00 O ATOM 0 H GLY A 106 79.177 10.671 -18.746 1.00 0.00 H new ATOM 0 HA2 GLY A 106 76.335 11.194 -18.922 1.00 0.00 H new ATOM 0 HA3 GLY A 106 77.322 11.060 -17.480 1.00 0.00 H new ATOM 735 N GLY A 107 76.310 13.575 -17.626 1.00 0.00 N ATOM 736 CA GLY A 107 76.219 15.017 -17.433 1.00 0.00 C ATOM 737 C GLY A 107 74.923 15.566 -18.025 1.00 0.00 C ATOM 738 O GLY A 107 74.131 16.198 -17.326 1.00 0.00 O ATOM 0 H GLY A 107 75.570 13.039 -17.173 1.00 0.00 H new ATOM 0 HA2 GLY A 107 76.264 15.249 -16.369 1.00 0.00 H new ATOM 0 HA3 GLY A 107 77.073 15.505 -17.902 1.00 0.00 H new ATOM 742 N ALA A 108 74.711 15.317 -19.313 1.00 0.00 N ATOM 743 CA ALA A 108 73.505 15.790 -19.983 1.00 0.00 C ATOM 744 C ALA A 108 72.265 15.176 -19.342 1.00 0.00 C ATOM 745 O ALA A 108 71.249 15.850 -19.158 1.00 0.00 O ATOM 746 CB ALA A 108 73.552 15.425 -21.468 1.00 0.00 C ATOM 0 H ALA A 108 75.353 14.795 -19.910 1.00 0.00 H new ATOM 0 HA ALA A 108 73.455 16.874 -19.881 1.00 0.00 H new ATOM 0 HB1 ALA A 108 72.647 15.782 -21.959 1.00 0.00 H new ATOM 0 HB2 ALA A 108 74.423 15.890 -21.930 1.00 0.00 H new ATOM 0 HB3 ALA A 108 73.619 14.342 -21.575 1.00 0.00 H new ATOM 752 N ALA A 109 72.357 13.896 -18.998 1.00 0.00 N ATOM 753 CA ALA A 109 71.240 13.200 -18.373 1.00 0.00 C ATOM 754 C ALA A 109 71.744 12.198 -17.339 1.00 0.00 C ATOM 755 O ALA A 109 72.201 11.110 -17.689 1.00 0.00 O ATOM 756 CB ALA A 109 70.417 12.472 -19.440 1.00 0.00 C ATOM 0 H ALA A 109 73.189 13.323 -19.141 1.00 0.00 H new ATOM 0 HA ALA A 109 70.611 13.935 -17.870 1.00 0.00 H new ATOM 0 HB1 ALA A 109 69.584 11.954 -18.966 1.00 0.00 H new ATOM 0 HB2 ALA A 109 70.033 13.195 -20.159 1.00 0.00 H new ATOM 0 HB3 ALA A 109 71.048 11.748 -19.955 1.00 0.00 H new ATOM 762 N GLY A 110 71.659 12.573 -16.067 1.00 0.00 N ATOM 763 CA GLY A 110 72.112 11.704 -14.995 1.00 0.00 C ATOM 764 C GLY A 110 73.575 11.967 -14.679 1.00 0.00 C ATOM 765 O GLY A 110 74.262 12.677 -15.410 1.00 0.00 O ATOM 0 H GLY A 110 71.282 13.469 -15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.506 11.869 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.978 10.661 -15.283 1.00 0.00 H new ATOM 769 N ASP A 111 74.042 11.390 -13.584 1.00 0.00 N ATOM 770 CA ASP A 111 75.433 11.563 -13.172 1.00 0.00 C ATOM 771 C ASP A 111 75.721 13.018 -12.820 1.00 0.00 C ATOM 772 O ASP A 111 76.314 13.751 -13.611 1.00 0.00 O ATOM 773 CB ASP A 111 76.384 11.104 -14.290 1.00 0.00 C ATOM 774 CG ASP A 111 77.815 11.002 -13.761 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.053 11.459 -12.656 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.652 10.469 -14.473 1.00 0.00 O ATOM 0 H ASP A 111 73.486 10.800 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 111 75.598 10.951 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.062 10.137 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.346 11.808 -15.121 1.00 0.00 H new ATOM 781 N GLY A 112 75.280 13.432 -11.636 1.00 0.00 N ATOM 782 CA GLY A 112 75.473 14.801 -11.193 1.00 0.00 C ATOM 783 C GLY A 112 74.165 15.566 -11.276 1.00 0.00 C ATOM 784 O GLY A 112 74.016 16.634 -10.680 1.00 0.00 O ATOM 0 H GLY A 112 74.788 12.837 -10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.844 14.811 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.228 15.288 -11.810 1.00 0.00 H new ATOM 788 N THR A 113 73.213 15.001 -12.013 1.00 0.00 N ATOM 789 CA THR A 113 71.911 15.623 -12.164 1.00 0.00 C ATOM 790 C THR A 113 70.815 14.756 -11.546 1.00 0.00 C ATOM 791 O THR A 113 70.849 14.462 -10.355 1.00 0.00 O ATOM 792 CB THR A 113 71.623 15.906 -13.642 1.00 0.00 C ATOM 793 OG1 THR A 113 71.612 14.684 -14.360 1.00 0.00 O ATOM 794 CG2 THR A 113 72.691 16.827 -14.232 1.00 0.00 C ATOM 0 H THR A 113 73.322 14.118 -12.511 1.00 0.00 H new ATOM 0 HA THR A 113 71.920 16.573 -11.630 1.00 0.00 H new ATOM 0 HB THR A 113 70.653 16.397 -13.722 1.00 0.00 H new ATOM 0 HG1 THR A 113 72.527 14.448 -14.619 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.469 17.016 -15.282 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.699 17.771 -13.687 1.00 0.00 H new ATOM 0 HG23 THR A 113 73.668 16.352 -14.148 1.00 0.00 H new ATOM 802 N VAL A 114 69.841 14.355 -12.352 1.00 0.00 N ATOM 803 CA VAL A 114 68.747 13.547 -11.855 1.00 0.00 C ATOM 804 C VAL A 114 69.276 12.222 -11.324 1.00 0.00 C ATOM 805 O VAL A 114 70.224 11.659 -11.866 1.00 0.00 O ATOM 806 CB VAL A 114 67.755 13.296 -12.992 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.497 14.596 -13.756 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.343 12.267 -13.953 1.00 0.00 C ATOM 0 H VAL A 114 69.790 14.577 -13.346 1.00 0.00 H new ATOM 0 HA VAL A 114 68.246 14.072 -11.042 1.00 0.00 H new ATOM 0 HB VAL A 114 66.818 12.928 -12.574 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.790 14.409 -14.564 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.083 15.341 -13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.434 14.965 -14.172 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.640 12.084 -14.765 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.280 12.645 -14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.530 11.335 -13.419 1.00 0.00 H new ATOM 818 N VAL A 115 68.660 11.742 -10.253 1.00 0.00 N ATOM 819 CA VAL A 115 69.075 10.488 -9.640 1.00 0.00 C ATOM 820 C VAL A 115 68.013 9.416 -9.848 1.00 0.00 C ATOM 821 O VAL A 115 66.817 9.678 -9.711 1.00 0.00 O ATOM 822 CB VAL A 115 69.311 10.685 -8.147 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.733 9.358 -7.513 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.411 11.731 -7.932 1.00 0.00 C ATOM 0 H VAL A 115 67.874 12.200 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 115 70.003 10.167 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 115 68.389 11.031 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.901 9.502 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.946 8.618 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.653 9.007 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.577 11.870 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.334 11.390 -8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.105 12.678 -8.377 1.00 0.00 H new ATOM 834 N ASP A 116 68.459 8.211 -10.180 1.00 0.00 N ATOM 835 CA ASP A 116 67.543 7.102 -10.413 1.00 0.00 C ATOM 836 C ASP A 116 67.120 6.469 -9.115 1.00 0.00 C ATOM 837 O ASP A 116 67.922 5.878 -8.395 1.00 0.00 O ATOM 838 CB ASP A 116 68.195 6.055 -11.308 1.00 0.00 C ATOM 839 CG ASP A 116 67.261 4.869 -11.524 1.00 0.00 C ATOM 840 OD1 ASP A 116 66.251 5.052 -12.183 1.00 0.00 O ATOM 841 OD2 ASP A 116 67.575 3.799 -11.034 1.00 0.00 O ATOM 0 H ASP A 116 69.445 7.977 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 116 66.657 7.498 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.452 6.501 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.126 5.713 -10.856 1.00 0.00 H new ATOM 846 N CYS A 117 65.851 6.612 -8.814 1.00 0.00 N ATOM 847 CA CYS A 117 65.314 6.067 -7.595 1.00 0.00 C ATOM 848 C CYS A 117 64.506 4.796 -7.886 1.00 0.00 C ATOM 849 O CYS A 117 63.694 4.785 -8.792 1.00 0.00 O ATOM 850 CB CYS A 117 64.414 7.102 -6.953 1.00 0.00 C ATOM 851 SG CYS A 117 63.815 6.463 -5.373 1.00 0.00 S ATOM 0 H CYS A 117 65.173 7.102 -9.398 1.00 0.00 H new ATOM 0 HA CYS A 117 66.134 5.811 -6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.960 8.033 -6.800 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.574 7.330 -7.610 1.00 0.00 H new ATOM 856 N PRO A 118 64.687 3.741 -7.147 1.00 0.00 N ATOM 857 CA PRO A 118 63.920 2.477 -7.380 1.00 0.00 C ATOM 858 C PRO A 118 62.404 2.660 -7.290 1.00 0.00 C ATOM 859 O PRO A 118 61.644 1.756 -7.635 1.00 0.00 O ATOM 860 CB PRO A 118 64.422 1.540 -6.280 1.00 0.00 C ATOM 861 CG PRO A 118 65.051 2.430 -5.256 1.00 0.00 C ATOM 862 CD PRO A 118 65.625 3.603 -6.030 1.00 0.00 C ATOM 0 HA PRO A 118 64.083 2.097 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.602 0.965 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.143 0.823 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.316 2.766 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.831 1.904 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.667 4.507 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.639 3.403 -6.375 1.00 0.00 H new ATOM 870 N VAL A 119 61.968 3.819 -6.818 1.00 0.00 N ATOM 871 CA VAL A 119 60.543 4.079 -6.691 1.00 0.00 C ATOM 872 C VAL A 119 60.010 4.816 -7.921 1.00 0.00 C ATOM 873 O VAL A 119 59.146 4.306 -8.635 1.00 0.00 O ATOM 874 CB VAL A 119 60.304 4.928 -5.446 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.802 5.103 -5.220 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.939 4.244 -4.231 1.00 0.00 C ATOM 0 H VAL A 119 62.572 4.585 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 119 60.017 3.128 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 119 60.758 5.909 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.636 5.710 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.359 5.598 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.338 4.126 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.768 4.851 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.490 3.261 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.011 4.134 -4.395 1.00 0.00 H new ATOM 886 N CYS A 120 60.528 6.019 -8.163 1.00 0.00 N ATOM 887 CA CYS A 120 60.089 6.815 -9.308 1.00 0.00 C ATOM 888 C CYS A 120 61.057 6.666 -10.480 1.00 0.00 C ATOM 889 O CYS A 120 60.659 6.755 -11.645 1.00 0.00 O ATOM 890 CB CYS A 120 59.977 8.290 -8.911 1.00 0.00 C ATOM 891 SG CYS A 120 61.526 8.842 -8.156 1.00 0.00 S ATOM 0 H CYS A 120 61.245 6.461 -7.588 1.00 0.00 H new ATOM 0 HA CYS A 120 59.111 6.450 -9.621 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.754 8.896 -9.789 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.152 8.426 -8.211 1.00 0.00 H new ATOM 896 N LYS A 121 62.323 6.422 -10.157 1.00 0.00 N ATOM 897 CA LYS A 121 63.353 6.236 -11.174 1.00 0.00 C ATOM 898 C LYS A 121 63.438 7.465 -12.078 1.00 0.00 C ATOM 899 O LYS A 121 63.813 7.374 -13.248 1.00 0.00 O ATOM 900 CB LYS A 121 63.033 4.979 -11.999 1.00 0.00 C ATOM 901 CG LYS A 121 63.809 3.765 -11.466 1.00 0.00 C ATOM 902 CD LYS A 121 62.843 2.771 -10.807 1.00 0.00 C ATOM 903 CE LYS A 121 63.472 1.387 -10.835 1.00 0.00 C ATOM 904 NZ LYS A 121 62.591 0.440 -10.103 1.00 0.00 N ATOM 0 H LYS A 121 62.661 6.348 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 121 64.320 6.107 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.963 4.777 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.289 5.150 -13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.344 3.278 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.558 4.090 -10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.635 3.071 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.890 2.763 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.608 1.056 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.460 1.413 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 63.121 -0.426 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.264 0.882 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.770 0.201 -10.695 1.00 0.00 H new ATOM 918 N GLN A 122 63.098 8.619 -11.519 1.00 0.00 N ATOM 919 CA GLN A 122 63.153 9.859 -12.275 1.00 0.00 C ATOM 920 C GLN A 122 63.169 11.063 -11.337 1.00 0.00 C ATOM 921 O GLN A 122 62.423 11.109 -10.358 1.00 0.00 O ATOM 922 CB GLN A 122 61.954 9.951 -13.212 1.00 0.00 C ATOM 923 CG GLN A 122 62.067 11.224 -14.049 1.00 0.00 C ATOM 924 CD GLN A 122 60.852 11.347 -14.964 1.00 0.00 C ATOM 925 OE1 GLN A 122 59.716 11.361 -14.487 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.019 11.438 -16.255 1.00 0.00 N ATOM 0 H GLN A 122 62.784 8.720 -10.554 1.00 0.00 H new ATOM 0 HA GLN A 122 64.071 9.864 -12.862 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.917 9.076 -13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.028 9.960 -12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.133 12.095 -13.397 1.00 0.00 H new ATOM 0 HG3 GLN A 122 62.981 11.200 -14.643 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.959 11.426 -16.650 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.209 11.521 -16.869 1.00 0.00 H new ATOM 935 N GLN A 123 64.015 12.036 -11.651 1.00 0.00 N ATOM 936 CA GLN A 123 64.112 13.244 -10.839 1.00 0.00 C ATOM 937 C GLN A 123 64.365 14.462 -11.714 1.00 0.00 C ATOM 938 O GLN A 123 64.905 14.347 -12.809 1.00 0.00 O ATOM 939 CB GLN A 123 65.236 13.103 -9.803 1.00 0.00 C ATOM 940 CG GLN A 123 64.633 12.827 -8.421 1.00 0.00 C ATOM 941 CD GLN A 123 63.790 14.022 -7.979 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.643 13.854 -7.561 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.286 15.226 -8.064 1.00 0.00 N ATOM 0 H GLN A 123 64.640 12.014 -12.456 1.00 0.00 H new ATOM 0 HA GLN A 123 63.164 13.380 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.906 12.291 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.834 14.014 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.017 11.928 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.427 12.642 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.236 15.363 -8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.724 16.030 -7.784 1.00 0.00 H new ATOM 952 N CYS A 124 63.964 15.629 -11.226 1.00 0.00 N ATOM 953 CA CYS A 124 64.158 16.860 -11.979 1.00 0.00 C ATOM 954 C CYS A 124 65.565 17.405 -11.750 1.00 0.00 C ATOM 955 O CYS A 124 66.279 17.730 -12.698 1.00 0.00 O ATOM 956 CB CYS A 124 63.125 17.905 -11.554 1.00 0.00 C ATOM 957 SG CYS A 124 62.953 19.147 -12.859 1.00 0.00 S ATOM 0 H CYS A 124 63.507 15.748 -10.322 1.00 0.00 H new ATOM 0 HA CYS A 124 64.031 16.641 -13.039 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.164 17.426 -11.364 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.434 18.380 -10.623 1.00 0.00 H new ATOM 0 HG CYS A 124 63.531 20.250 -12.487 1.00 0.00 H new ATOM 963 N PHE A 125 65.951 17.508 -10.480 1.00 0.00 N ATOM 964 CA PHE A 125 67.270 18.022 -10.128 1.00 0.00 C ATOM 965 C PHE A 125 67.878 17.219 -8.988 1.00 0.00 C ATOM 966 O PHE A 125 67.244 16.311 -8.448 1.00 0.00 O ATOM 967 CB PHE A 125 67.172 19.484 -9.696 1.00 0.00 C ATOM 968 CG PHE A 125 66.367 20.262 -10.712 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.129 20.819 -10.354 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.858 20.429 -12.012 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.382 21.530 -11.303 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.110 21.142 -12.958 1.00 0.00 C ATOM 973 CZ PHE A 125 64.875 21.697 -12.603 1.00 0.00 C ATOM 0 H PHE A 125 65.372 17.244 -9.683 1.00 0.00 H new ATOM 0 HA PHE A 125 67.904 17.936 -11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.702 19.553 -8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.169 19.913 -9.602 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.753 20.700 -9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.814 20.008 -12.286 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.425 21.950 -11.031 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.487 21.264 -13.963 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.303 22.253 -13.331 1.00 0.00 H new ATOM 983 N SER A 126 69.111 17.563 -8.626 1.00 0.00 N ATOM 984 CA SER A 126 69.799 16.868 -7.546 1.00 0.00 C ATOM 985 C SER A 126 70.191 17.825 -6.421 1.00 0.00 C ATOM 986 O SER A 126 71.308 17.793 -5.903 1.00 0.00 O ATOM 987 CB SER A 126 71.031 16.156 -8.090 1.00 0.00 C ATOM 988 OG SER A 126 71.377 16.717 -9.351 1.00 0.00 O ATOM 0 H SER A 126 69.649 18.312 -9.061 1.00 0.00 H new ATOM 0 HA SER A 126 69.113 16.132 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.862 16.258 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 126 70.833 15.089 -8.195 1.00 0.00 H new ATOM 0 HG SER A 126 72.326 16.552 -9.533 1.00 0.00 H new ATOM 994 N LYS A 127 69.260 18.677 -6.043 1.00 0.00 N ATOM 995 CA LYS A 127 69.514 19.630 -4.973 1.00 0.00 C ATOM 996 C LYS A 127 69.216 19.023 -3.603 1.00 0.00 C ATOM 997 O LYS A 127 69.684 19.525 -2.580 1.00 0.00 O ATOM 998 CB LYS A 127 68.664 20.870 -5.178 1.00 0.00 C ATOM 999 CG LYS A 127 69.038 21.526 -6.507 1.00 0.00 C ATOM 1000 CD LYS A 127 68.338 22.880 -6.620 1.00 0.00 C ATOM 1001 CE LYS A 127 66.830 22.671 -6.764 1.00 0.00 C ATOM 1002 NZ LYS A 127 66.161 23.993 -6.941 1.00 0.00 N ATOM 0 H LYS A 127 68.328 18.732 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 127 70.570 19.897 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.607 20.605 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.819 21.571 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 127 70.118 21.657 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.746 20.883 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 127 68.548 23.484 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 127 68.723 23.428 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 127 66.621 22.028 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 127 66.436 22.167 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 65.135 23.853 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 66.351 24.592 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 66.530 24.457 -7.795 1.00 0.00 H new ATOM 1016 N ASP A 128 68.427 17.951 -3.584 1.00 0.00 N ATOM 1017 CA ASP A 128 68.067 17.298 -2.326 1.00 0.00 C ATOM 1018 C ASP A 128 68.651 15.888 -2.257 1.00 0.00 C ATOM 1019 O ASP A 128 68.156 15.032 -1.524 1.00 0.00 O ATOM 1020 CB ASP A 128 66.550 17.232 -2.196 1.00 0.00 C ATOM 1021 CG ASP A 128 66.142 17.358 -0.734 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.668 18.235 -0.069 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.314 16.575 -0.302 1.00 0.00 O ATOM 0 H ASP A 128 68.027 17.519 -4.417 1.00 0.00 H new ATOM 0 HA ASP A 128 68.480 17.883 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.093 18.031 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.183 16.290 -2.604 1.00 0.00 H new ATOM 1028 N ILE A 129 69.704 15.649 -3.027 1.00 0.00 N ATOM 1029 CA ILE A 129 70.350 14.342 -3.040 1.00 0.00 C ATOM 1030 C ILE A 129 70.945 14.028 -1.675 1.00 0.00 C ATOM 1031 O ILE A 129 70.691 14.747 -0.709 1.00 0.00 O ATOM 1032 CB ILE A 129 71.447 14.310 -4.100 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.390 15.506 -3.915 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.808 14.365 -5.480 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.605 15.352 -4.832 1.00 0.00 C ATOM 0 H ILE A 129 70.128 16.338 -3.648 1.00 0.00 H new ATOM 0 HA ILE A 129 69.599 13.589 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 129 72.023 13.390 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.865 16.434 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.712 15.570 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.586 14.343 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.148 13.507 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.231 15.285 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.272 16.203 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.135 14.433 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.275 15.310 -5.870 1.00 0.00 H new ATOM 1047 N VAL A 130 71.730 12.946 -1.614 1.00 0.00 N ATOM 1048 CA VAL A 130 72.369 12.525 -0.374 1.00 0.00 C ATOM 1049 C VAL A 130 72.890 13.724 0.393 1.00 0.00 C ATOM 1050 O VAL A 130 73.914 14.295 0.034 1.00 0.00 O ATOM 1051 CB VAL A 130 73.548 11.597 -0.681 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.041 10.172 -0.881 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.269 12.076 -1.948 1.00 0.00 C ATOM 0 H VAL A 130 71.935 12.348 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 130 71.625 12.002 0.227 1.00 0.00 H new ATOM 0 HB VAL A 130 74.247 11.615 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 130 73.882 9.514 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.541 9.833 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 130 72.337 10.150 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.107 11.413 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.574 12.066 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.639 13.090 -1.795 1.00 0.00 H new ATOM 1063 N GLU A 131 72.157 14.092 1.440 1.00 0.00 N ATOM 1064 CA GLU A 131 72.504 15.231 2.280 1.00 0.00 C ATOM 1065 C GLU A 131 71.430 15.478 3.323 1.00 0.00 C ATOM 1066 O GLU A 131 71.714 15.962 4.417 1.00 0.00 O ATOM 1067 CB GLU A 131 72.619 16.482 1.434 1.00 0.00 C ATOM 1068 CG GLU A 131 74.100 16.839 1.293 1.00 0.00 C ATOM 1069 CD GLU A 131 74.354 17.675 0.041 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.521 18.504 -0.282 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.392 17.478 -0.575 1.00 0.00 O ATOM 0 H GLU A 131 71.307 13.608 1.729 1.00 0.00 H new ATOM 0 HA GLU A 131 73.452 15.005 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.174 16.318 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.074 17.304 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.428 17.391 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.694 15.926 1.249 1.00 0.00 H new ATOM 1078 N ASN A 132 70.190 15.173 2.970 1.00 0.00 N ATOM 1079 CA ASN A 132 69.093 15.406 3.889 1.00 0.00 C ATOM 1080 C ASN A 132 68.926 14.234 4.856 1.00 0.00 C ATOM 1081 O ASN A 132 67.967 13.471 4.756 1.00 0.00 O ATOM 1082 CB ASN A 132 67.791 15.605 3.121 1.00 0.00 C ATOM 1083 CG ASN A 132 67.999 16.604 1.991 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.406 16.182 0.825 1.00 0.00 O flip ATOM 1085 ND2 ASN A 132 67.803 17.803 2.183 1.00 0.00 N flip ATOM 0 H ASN A 132 69.924 14.771 2.071 1.00 0.00 H new ATOM 0 HA ASN A 132 69.326 16.305 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.449 14.652 2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.013 15.963 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 132 67.485 18.128 3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.959 18.472 1.429 1.00 0.00 H new ATOM 1092 N TYR A 133 69.868 14.092 5.785 1.00 0.00 N ATOM 1093 CA TYR A 133 69.827 13.012 6.754 1.00 0.00 C ATOM 1094 C TYR A 133 69.118 13.452 8.031 1.00 0.00 C ATOM 1095 O TYR A 133 69.432 12.977 9.121 1.00 0.00 O ATOM 1096 CB TYR A 133 71.253 12.571 7.091 1.00 0.00 C ATOM 1097 CG TYR A 133 72.059 13.745 7.581 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.041 14.067 8.934 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.825 14.503 6.691 1.00 0.00 C ATOM 1100 CE1 TYR A 133 72.781 15.156 9.408 1.00 0.00 C ATOM 1101 CE2 TYR A 133 73.566 15.592 7.157 1.00 0.00 C ATOM 1102 CZ TYR A 133 73.546 15.918 8.518 1.00 0.00 C ATOM 1103 OH TYR A 133 74.275 16.995 8.980 1.00 0.00 O ATOM 0 H TYR A 133 70.669 14.716 5.883 1.00 0.00 H new ATOM 0 HA TYR A 133 69.273 12.180 6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.230 11.793 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.726 12.139 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.454 13.475 9.621 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.844 14.247 5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 133 72.762 15.408 10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.153 16.181 6.468 1.00 0.00 H new ATOM 0 HH TYR A 133 74.750 17.414 8.232 1.00 0.00 H new ATOM 1113 N PHE A 134 68.158 14.356 7.887 1.00 0.00 N ATOM 1114 CA PHE A 134 67.419 14.850 9.029 1.00 0.00 C ATOM 1115 C PHE A 134 66.694 13.708 9.727 1.00 0.00 C ATOM 1116 O PHE A 134 66.599 13.679 10.953 1.00 0.00 O ATOM 1117 CB PHE A 134 66.414 15.900 8.566 1.00 0.00 C ATOM 1118 CG PHE A 134 67.133 17.183 8.239 1.00 0.00 C ATOM 1119 CD1 PHE A 134 67.263 17.579 6.906 1.00 0.00 C ATOM 1120 CD2 PHE A 134 67.663 17.979 9.261 1.00 0.00 C ATOM 1121 CE1 PHE A 134 67.929 18.768 6.590 1.00 0.00 C ATOM 1122 CE2 PHE A 134 68.331 19.169 8.947 1.00 0.00 C ATOM 1123 CZ PHE A 134 68.461 19.566 7.611 1.00 0.00 C ATOM 0 H PHE A 134 67.878 14.758 6.992 1.00 0.00 H new ATOM 0 HA PHE A 134 68.116 15.300 9.736 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.876 15.540 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.673 16.076 9.345 1.00 0.00 H new ATOM 0 HD1 PHE A 134 66.849 16.967 6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 134 67.557 17.675 10.292 1.00 0.00 H new ATOM 0 HE1 PHE A 134 68.033 19.071 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 134 68.746 19.780 9.735 1.00 0.00 H new ATOM 0 HZ PHE A 134 68.971 20.486 7.368 1.00 0.00 H new ATOM 1133 N MET A 135 66.187 12.767 8.942 1.00 0.00 N ATOM 1134 CA MET A 135 65.478 11.627 9.507 1.00 0.00 C ATOM 1135 C MET A 135 66.456 10.554 9.962 1.00 0.00 C ATOM 1136 O MET A 135 67.084 9.883 9.143 1.00 0.00 O ATOM 1137 CB MET A 135 64.525 11.045 8.468 1.00 0.00 C ATOM 1138 CG MET A 135 63.912 9.742 8.993 1.00 0.00 C ATOM 1139 SD MET A 135 63.156 10.007 10.615 1.00 0.00 S ATOM 1140 CE MET A 135 61.922 11.216 10.088 1.00 0.00 C ATOM 0 H MET A 135 66.252 12.769 7.924 1.00 0.00 H new ATOM 0 HA MET A 135 64.911 11.969 10.373 1.00 0.00 H new ATOM 0 HB2 MET A 135 63.736 11.763 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.060 10.856 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 135 63.162 9.377 8.291 1.00 0.00 H new ATOM 0 HG3 MET A 135 64.682 8.974 9.065 1.00 0.00 H new ATOM 0 HE1 MET A 135 61.129 11.275 10.834 1.00 0.00 H new ATOM 0 HE2 MET A 135 62.393 12.193 9.980 1.00 0.00 H new ATOM 0 HE3 MET A 135 61.498 10.910 9.132 1.00 0.00 H new ATOM 1150 N ARG A 136 66.574 10.396 11.277 1.00 0.00 N ATOM 1151 CA ARG A 136 67.469 9.398 11.840 1.00 0.00 C ATOM 1152 C ARG A 136 66.978 8.941 13.207 1.00 0.00 C ATOM 1153 O ARG A 136 67.445 9.424 14.239 1.00 0.00 O ATOM 1154 CB ARG A 136 68.872 9.974 11.969 1.00 0.00 C ATOM 1155 CG ARG A 136 69.505 10.063 10.582 1.00 0.00 C ATOM 1156 CD ARG A 136 70.987 10.390 10.725 1.00 0.00 C ATOM 1157 NE ARG A 136 71.171 11.744 11.238 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.378 12.203 11.586 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.441 11.445 11.482 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.499 13.421 12.035 1.00 0.00 N ATOM 0 H ARG A 136 66.062 10.945 11.968 1.00 0.00 H new ATOM 0 HA ARG A 136 67.487 8.538 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 136 68.832 10.962 12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.479 9.344 12.620 1.00 0.00 H new ATOM 0 HG2 ARG A 136 69.379 9.120 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.007 10.831 9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.459 9.674 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.481 10.292 9.758 1.00 0.00 H new ATOM 0 HE ARG A 136 70.360 12.355 11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.355 10.491 11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.355 11.809 11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.676 14.018 12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 136 73.417 13.777 12.302 1.00 0.00 H new ATOM 1174 N ASP A 137 66.044 8.000 13.212 1.00 0.00 N ATOM 1175 CA ASP A 137 65.505 7.480 14.465 1.00 0.00 C ATOM 1176 C ASP A 137 65.752 5.978 14.586 1.00 0.00 C ATOM 1177 O ASP A 137 65.188 5.316 15.458 1.00 0.00 O ATOM 1178 CB ASP A 137 64.007 7.764 14.539 1.00 0.00 C ATOM 1179 CG ASP A 137 63.727 9.115 15.208 1.00 0.00 C ATOM 1180 OD1 ASP A 137 64.558 9.568 15.978 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.681 9.680 14.933 1.00 0.00 O ATOM 0 H ASP A 137 65.645 7.583 12.371 1.00 0.00 H new ATOM 0 HA ASP A 137 66.014 7.978 15.290 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.584 7.759 13.534 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.512 6.970 15.098 1.00 0.00 H new ATOM 1186 N SER A 138 66.585 5.440 13.705 1.00 0.00 N ATOM 1187 CA SER A 138 66.883 4.019 13.725 1.00 0.00 C ATOM 1188 C SER A 138 67.560 3.640 15.039 1.00 0.00 C ATOM 1189 O SER A 138 68.386 4.389 15.560 1.00 0.00 O ATOM 1190 CB SER A 138 67.804 3.685 12.559 1.00 0.00 C ATOM 1191 OG SER A 138 67.237 4.199 11.359 1.00 0.00 O ATOM 0 H SER A 138 67.063 5.965 12.972 1.00 0.00 H new ATOM 0 HA SER A 138 65.954 3.456 13.635 1.00 0.00 H new ATOM 0 HB2 SER A 138 68.791 4.116 12.724 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.936 2.606 12.481 1.00 0.00 H new ATOM 0 HG SER A 138 66.642 3.528 10.965 1.00 0.00 H new ATOM 1197 N GLY A 139 67.202 2.477 15.569 1.00 0.00 N ATOM 1198 CA GLY A 139 67.777 2.011 16.818 1.00 0.00 C ATOM 1199 C GLY A 139 67.152 0.686 17.230 1.00 0.00 C ATOM 1200 O GLY A 139 66.486 0.024 16.434 1.00 0.00 O ATOM 0 H GLY A 139 66.519 1.844 15.153 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.855 1.893 16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.616 2.754 17.599 1.00 0.00 H new ATOM 1204 N SER A 140 67.377 0.307 18.478 1.00 0.00 N ATOM 1205 CA SER A 140 66.842 -0.942 19.003 1.00 0.00 C ATOM 1206 C SER A 140 67.327 -2.120 18.165 1.00 0.00 C ATOM 1207 O SER A 140 66.670 -3.158 18.103 1.00 0.00 O ATOM 1208 CB SER A 140 65.312 -0.906 18.988 1.00 0.00 C ATOM 1209 OG SER A 140 64.857 0.176 19.791 1.00 0.00 O ATOM 0 H SER A 140 67.927 0.846 19.148 1.00 0.00 H new ATOM 0 HA SER A 140 67.192 -1.063 20.028 1.00 0.00 H new ATOM 0 HB2 SER A 140 64.950 -0.792 17.966 1.00 0.00 H new ATOM 0 HB3 SER A 140 64.911 -1.847 19.365 1.00 0.00 H new ATOM 0 HG SER A 140 63.877 0.201 19.781 1.00 0.00 H new ATOM 1215 N LYS A 141 68.476 -1.950 17.523 1.00 0.00 N ATOM 1216 CA LYS A 141 69.030 -3.010 16.691 1.00 0.00 C ATOM 1217 C LYS A 141 70.483 -3.275 17.076 1.00 0.00 C ATOM 1218 O LYS A 141 71.281 -2.345 17.192 1.00 0.00 O ATOM 1219 CB LYS A 141 68.961 -2.612 15.213 1.00 0.00 C ATOM 1220 CG LYS A 141 69.264 -3.839 14.350 1.00 0.00 C ATOM 1221 CD LYS A 141 69.090 -3.481 12.875 1.00 0.00 C ATOM 1222 CE LYS A 141 69.306 -4.725 12.011 1.00 0.00 C ATOM 1223 NZ LYS A 141 69.085 -4.376 10.578 1.00 0.00 N ATOM 0 H LYS A 141 69.037 -1.099 17.561 1.00 0.00 H new ATOM 0 HA LYS A 141 68.444 -3.915 16.848 1.00 0.00 H new ATOM 0 HB2 LYS A 141 67.972 -2.220 14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 141 69.678 -1.818 15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 141 70.282 -4.184 14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 141 68.597 -4.658 14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 141 68.092 -3.077 12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 141 69.800 -2.704 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 141 70.317 -5.108 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 141 68.620 -5.516 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 69.231 -5.220 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 68.113 -4.029 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 69.757 -3.635 10.294 1.00 0.00 H new ATOM 1237 N ALA A 142 70.822 -4.544 17.274 1.00 0.00 N ATOM 1238 CA ALA A 142 72.182 -4.914 17.645 1.00 0.00 C ATOM 1239 C ALA A 142 72.515 -6.317 17.145 1.00 0.00 C ATOM 1240 O ALA A 142 71.634 -7.165 17.016 1.00 0.00 O ATOM 1241 CB ALA A 142 72.343 -4.859 19.165 1.00 0.00 C ATOM 0 H ALA A 142 70.178 -5.330 17.184 1.00 0.00 H new ATOM 0 HA ALA A 142 72.868 -4.205 17.182 1.00 0.00 H new ATOM 0 HB1 ALA A 142 73.362 -5.137 19.433 1.00 0.00 H new ATOM 0 HB2 ALA A 142 72.138 -3.848 19.516 1.00 0.00 H new ATOM 0 HB3 ALA A 142 71.643 -5.553 19.630 1.00 0.00 H new ATOM 1247 N ALA A 143 73.794 -6.555 16.869 1.00 0.00 N ATOM 1248 CA ALA A 143 74.231 -7.861 16.387 1.00 0.00 C ATOM 1249 C ALA A 143 75.686 -8.115 16.769 1.00 0.00 C ATOM 1250 O ALA A 143 76.457 -7.178 16.973 1.00 0.00 O ATOM 1251 CB ALA A 143 74.079 -7.934 14.866 1.00 0.00 C ATOM 0 H ALA A 143 74.540 -5.867 16.970 1.00 0.00 H new ATOM 0 HA ALA A 143 73.608 -8.626 16.851 1.00 0.00 H new ATOM 0 HB1 ALA A 143 74.407 -8.912 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 143 73.033 -7.784 14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 143 74.688 -7.158 14.402 1.00 0.00 H new ATOM 1257 N THR A 144 76.054 -9.388 16.864 1.00 0.00 N ATOM 1258 CA THR A 144 77.420 -9.752 17.223 1.00 0.00 C ATOM 1259 C THR A 144 78.363 -9.514 16.049 1.00 0.00 C ATOM 1260 O THR A 144 77.926 -9.381 14.906 1.00 0.00 O ATOM 1261 CB THR A 144 77.475 -11.224 17.638 1.00 0.00 C ATOM 1262 OG1 THR A 144 77.071 -12.037 16.545 1.00 0.00 O ATOM 1263 CG2 THR A 144 76.543 -11.459 18.828 1.00 0.00 C ATOM 0 H THR A 144 75.432 -10.179 16.699 1.00 0.00 H new ATOM 0 HA THR A 144 77.736 -9.128 18.059 1.00 0.00 H new ATOM 0 HB THR A 144 78.494 -11.483 17.926 1.00 0.00 H new ATOM 0 HG1 THR A 144 77.107 -12.980 16.808 1.00 0.00 H new ATOM 0 HG21 THR A 144 76.584 -12.508 19.121 1.00 0.00 H new ATOM 0 HG22 THR A 144 76.857 -10.836 19.665 1.00 0.00 H new ATOM 0 HG23 THR A 144 75.522 -11.201 18.547 1.00 0.00 H new ATOM 1271 N ASP A 145 79.659 -9.461 16.339 1.00 0.00 N ATOM 1272 CA ASP A 145 80.655 -9.236 15.299 1.00 0.00 C ATOM 1273 C ASP A 145 80.936 -10.528 14.537 1.00 0.00 C ATOM 1274 O ASP A 145 81.487 -11.437 15.134 1.00 0.00 O ATOM 1275 CB ASP A 145 81.953 -8.719 15.923 1.00 0.00 C ATOM 1276 CG ASP A 145 81.687 -7.422 16.680 1.00 0.00 C ATOM 1277 OD1 ASP A 145 80.831 -6.669 16.244 1.00 0.00 O ATOM 1278 OD2 ASP A 145 82.343 -7.200 17.685 1.00 0.00 O ATOM 1279 OXT ASP A 145 80.596 -10.586 13.367 1.00 0.00 O ATOM 0 H ASP A 145 80.042 -9.570 17.278 1.00 0.00 H new ATOM 0 HA ASP A 145 80.264 -8.494 14.603 1.00 0.00 H new ATOM 0 HB2 ASP A 145 82.364 -9.468 16.601 1.00 0.00 H new ATOM 0 HB3 ASP A 145 82.698 -8.550 15.145 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.423 8.166 -6.088 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.994 1.257 0.850 1.00 0.00 ZN