USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0558 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 10 ASN : amide:sc=-0.00969 X(o=-0.0097,f=-0.028) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= 1.18 (180deg=0.462) USER MOD Single : A 14 GLN : amide:sc= 0.762 K(o=0.76,f=-0.16) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00294 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0606 K(o=0.061,f=-2.4!) USER MOD Single : A 26 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-2.4) USER MOD Single : A 28 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-2.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.00065) USER MOD Single : A 41 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -0.0297 K(o=-0.03,f=-0.71) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.928) USER MOD Single : A 67 SER OG : rot -34:sc= 1.14 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.543 13.602 8.574 1.00 0.00 N ATOM 2 CA GLY A 1 -14.599 13.533 7.454 1.00 0.00 C ATOM 3 C GLY A 1 -13.176 13.716 7.937 1.00 0.00 C ATOM 4 O GLY A 1 -12.948 14.392 8.939 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.945 12.659 8.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.046 13.929 9.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.308 14.267 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.696 12.571 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.841 14.303 6.721 1.00 0.00 H new ATOM 8 N SER A 2 -12.209 13.160 7.204 1.00 0.00 N ATOM 9 CA SER A 2 -10.793 13.424 7.400 1.00 0.00 C ATOM 10 C SER A 2 -10.110 13.581 6.048 1.00 0.00 C ATOM 11 O SER A 2 -10.627 13.139 5.018 1.00 0.00 O ATOM 12 CB SER A 2 -10.116 12.267 8.141 1.00 0.00 C ATOM 13 OG SER A 2 -10.656 12.061 9.428 1.00 0.00 O ATOM 0 H SER A 2 -12.397 12.504 6.446 1.00 0.00 H new ATOM 0 HA SER A 2 -10.702 14.336 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.221 11.354 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.048 12.469 8.226 1.00 0.00 H new ATOM 0 HG SER A 2 -10.194 11.313 9.861 1.00 0.00 H new ATOM 19 N SER A 3 -8.921 14.167 6.099 1.00 0.00 N ATOM 20 CA SER A 3 -7.797 13.986 5.203 1.00 0.00 C ATOM 21 C SER A 3 -6.555 14.361 6.036 1.00 0.00 C ATOM 22 O SER A 3 -6.692 14.956 7.117 1.00 0.00 O ATOM 23 CB SER A 3 -7.996 14.872 3.959 1.00 0.00 C ATOM 24 OG SER A 3 -6.946 14.751 3.019 1.00 0.00 O ATOM 0 H SER A 3 -8.704 14.839 6.835 1.00 0.00 H new ATOM 0 HA SER A 3 -7.690 12.969 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.938 14.608 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.078 15.913 4.271 1.00 0.00 H new ATOM 0 HG SER A 3 -7.126 15.333 2.251 1.00 0.00 H new ATOM 30 N GLY A 4 -5.367 14.038 5.522 1.00 0.00 N ATOM 31 CA GLY A 4 -4.056 14.526 5.934 1.00 0.00 C ATOM 32 C GLY A 4 -3.909 14.740 7.431 1.00 0.00 C ATOM 33 O GLY A 4 -3.954 15.883 7.899 1.00 0.00 O ATOM 0 H GLY A 4 -5.294 13.378 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.297 13.816 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.855 15.468 5.423 1.00 0.00 H new ATOM 37 N SER A 5 -3.726 13.649 8.172 1.00 0.00 N ATOM 38 CA SER A 5 -3.498 13.619 9.611 1.00 0.00 C ATOM 39 C SER A 5 -2.259 12.759 9.907 1.00 0.00 C ATOM 40 O SER A 5 -1.836 11.964 9.063 1.00 0.00 O ATOM 41 CB SER A 5 -4.748 13.036 10.280 1.00 0.00 C ATOM 42 OG SER A 5 -5.933 13.706 9.862 1.00 0.00 O ATOM 0 H SER A 5 -3.734 12.715 7.762 1.00 0.00 H new ATOM 0 HA SER A 5 -3.317 14.620 10.002 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.827 11.975 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.650 13.113 11.363 1.00 0.00 H new ATOM 0 HG SER A 5 -6.709 13.306 10.307 1.00 0.00 H new ATOM 48 N SER A 6 -1.678 12.895 11.101 1.00 0.00 N ATOM 49 CA SER A 6 -0.569 12.056 11.533 1.00 0.00 C ATOM 50 C SER A 6 -1.093 10.677 11.939 1.00 0.00 C ATOM 51 O SER A 6 -2.137 10.557 12.590 1.00 0.00 O ATOM 52 CB SER A 6 0.147 12.714 12.713 1.00 0.00 C ATOM 53 OG SER A 6 1.386 12.085 12.974 1.00 0.00 O ATOM 0 H SER A 6 -1.965 13.589 11.791 1.00 0.00 H new ATOM 0 HA SER A 6 0.137 11.939 10.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.310 13.770 12.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.484 12.662 13.600 1.00 0.00 H new ATOM 0 HG SER A 6 1.824 12.526 13.732 1.00 0.00 H new ATOM 59 N GLY A 7 -0.313 9.649 11.630 1.00 0.00 N ATOM 60 CA GLY A 7 -0.556 8.264 11.975 1.00 0.00 C ATOM 61 C GLY A 7 0.146 7.443 10.918 1.00 0.00 C ATOM 62 O GLY A 7 1.340 7.156 11.059 1.00 0.00 O ATOM 0 H GLY A 7 0.552 9.771 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.169 8.035 12.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.624 8.048 11.992 1.00 0.00 H new ATOM 66 N VAL A 8 -0.593 7.206 9.836 1.00 0.00 N ATOM 67 CA VAL A 8 -0.268 6.601 8.554 1.00 0.00 C ATOM 68 C VAL A 8 -0.630 5.116 8.607 1.00 0.00 C ATOM 69 O VAL A 8 -0.939 4.585 9.675 1.00 0.00 O ATOM 70 CB VAL A 8 1.170 6.944 8.092 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.158 5.790 8.290 1.00 0.00 C ATOM 72 CG2 VAL A 8 1.130 7.421 6.643 1.00 0.00 C ATOM 0 H VAL A 8 -1.577 7.476 9.846 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.873 7.032 7.756 1.00 0.00 H new ATOM 0 HB VAL A 8 1.546 7.747 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.147 6.095 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.205 5.529 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.826 4.924 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.140 7.664 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.721 6.632 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.501 8.308 6.569 1.00 0.00 H new ATOM 82 N GLU A 9 -0.609 4.425 7.469 1.00 0.00 N ATOM 83 CA GLU A 9 -1.065 3.047 7.342 1.00 0.00 C ATOM 84 C GLU A 9 0.053 2.160 6.795 1.00 0.00 C ATOM 85 O GLU A 9 1.167 2.625 6.526 1.00 0.00 O ATOM 86 CB GLU A 9 -2.319 3.028 6.456 1.00 0.00 C ATOM 87 CG GLU A 9 -3.392 2.080 7.004 1.00 0.00 C ATOM 88 CD GLU A 9 -4.774 2.498 6.490 1.00 0.00 C ATOM 89 OE1 GLU A 9 -5.299 3.548 6.919 1.00 0.00 O ATOM 90 OE2 GLU A 9 -5.351 1.818 5.619 1.00 0.00 O ATOM 0 H GLU A 9 -0.267 4.818 6.592 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.327 2.640 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.728 4.036 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.045 2.722 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.175 1.057 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.380 2.096 8.094 1.00 0.00 H new ATOM 97 N ASN A 10 -0.248 0.870 6.634 1.00 0.00 N ATOM 98 CA ASN A 10 0.610 -0.082 5.938 1.00 0.00 C ATOM 99 C ASN A 10 0.763 0.320 4.463 1.00 0.00 C ATOM 100 O ASN A 10 0.156 1.290 3.993 1.00 0.00 O ATOM 101 CB ASN A 10 0.033 -1.506 6.045 1.00 0.00 C ATOM 102 CG ASN A 10 -0.056 -2.047 7.466 1.00 0.00 C ATOM 103 OD1 ASN A 10 -1.017 -1.780 8.187 1.00 0.00 O ATOM 104 ND2 ASN A 10 0.921 -2.830 7.893 1.00 0.00 N ATOM 0 H ASN A 10 -1.109 0.454 6.990 1.00 0.00 H new ATOM 0 HA ASN A 10 1.593 -0.070 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.964 -1.515 5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.650 -2.180 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.885 -3.223 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.710 -3.041 7.282 1.00 0.00 H new ATOM 111 N LEU A 11 1.534 -0.461 3.701 1.00 0.00 N ATOM 112 CA LEU A 11 1.599 -0.339 2.258 1.00 0.00 C ATOM 113 C LEU A 11 0.206 -0.685 1.716 1.00 0.00 C ATOM 114 O LEU A 11 -0.466 -1.563 2.248 1.00 0.00 O ATOM 115 CB LEU A 11 2.726 -1.261 1.751 1.00 0.00 C ATOM 116 CG LEU A 11 2.666 -1.559 0.258 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.889 -0.300 -0.576 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.731 -2.613 -0.059 1.00 0.00 C ATOM 0 H LEU A 11 2.131 -1.197 4.079 1.00 0.00 H new ATOM 0 HA LEU A 11 1.844 0.665 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.687 -0.801 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.685 -2.202 2.300 1.00 0.00 H new ATOM 0 HG LEU A 11 1.674 -1.933 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.839 -0.552 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.118 0.434 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.869 0.118 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.708 -2.844 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.715 -2.228 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.529 -3.518 0.513 1.00 0.00 H new ATOM 130 N LYS A 12 -0.245 -0.028 0.648 1.00 0.00 N ATOM 131 CA LYS A 12 -1.391 -0.474 -0.136 1.00 0.00 C ATOM 132 C LYS A 12 -0.906 -0.732 -1.549 1.00 0.00 C ATOM 133 O LYS A 12 0.020 -0.073 -2.034 1.00 0.00 O ATOM 134 CB LYS A 12 -2.537 0.546 -0.086 1.00 0.00 C ATOM 135 CG LYS A 12 -3.276 0.524 1.266 1.00 0.00 C ATOM 136 CD LYS A 12 -4.797 0.551 1.060 1.00 0.00 C ATOM 137 CE LYS A 12 -5.538 0.666 2.396 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.577 2.045 2.925 1.00 0.00 N ATOM 0 H LYS A 12 0.178 0.833 0.302 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.804 -1.393 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.140 1.545 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.244 0.335 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.996 -0.370 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.971 1.382 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.065 1.392 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.112 -0.356 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.558 0.303 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.057 0.017 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.126 2.070 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.067 2.680 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.566 2.357 3.008 1.00 0.00 H new ATOM 152 N ALA A 13 -1.514 -1.714 -2.205 1.00 0.00 N ATOM 153 CA ALA A 13 -1.170 -2.108 -3.555 1.00 0.00 C ATOM 154 C ALA A 13 -2.459 -2.421 -4.297 1.00 0.00 C ATOM 155 O ALA A 13 -3.307 -3.165 -3.799 1.00 0.00 O ATOM 156 CB ALA A 13 -0.178 -3.269 -3.545 1.00 0.00 C ATOM 0 H ALA A 13 -2.272 -2.264 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.662 -1.299 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.066 -3.548 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.731 -2.966 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.622 -4.122 -3.033 1.00 0.00 H new ATOM 162 N GLN A 14 -2.620 -1.822 -5.475 1.00 0.00 N ATOM 163 CA GLN A 14 -3.782 -2.009 -6.315 1.00 0.00 C ATOM 164 C GLN A 14 -3.585 -3.274 -7.156 1.00 0.00 C ATOM 165 O GLN A 14 -2.565 -3.405 -7.838 1.00 0.00 O ATOM 166 CB GLN A 14 -3.965 -0.757 -7.183 1.00 0.00 C ATOM 167 CG GLN A 14 -5.324 -0.814 -7.884 1.00 0.00 C ATOM 168 CD GLN A 14 -5.641 0.447 -8.674 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.763 1.060 -9.283 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.889 0.872 -8.667 1.00 0.00 N ATOM 0 H GLN A 14 -1.930 -1.184 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.686 -2.142 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.900 0.139 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.166 -0.694 -7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.344 -1.672 -8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.104 -0.975 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.602 0.351 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.141 1.722 -9.172 1.00 0.00 H new ATOM 179 N ALA A 15 -4.535 -4.204 -7.113 1.00 0.00 N ATOM 180 CA ALA A 15 -4.589 -5.343 -8.016 1.00 0.00 C ATOM 181 C ALA A 15 -4.780 -4.862 -9.454 1.00 0.00 C ATOM 182 O ALA A 15 -5.570 -3.960 -9.721 1.00 0.00 O ATOM 183 CB ALA A 15 -5.724 -6.275 -7.599 1.00 0.00 C ATOM 0 H ALA A 15 -5.300 -4.184 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.650 -5.894 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.762 -7.128 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.550 -6.627 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.671 -5.736 -7.640 1.00 0.00 H new ATOM 189 N LEU A 16 -4.076 -5.475 -10.399 1.00 0.00 N ATOM 190 CA LEU A 16 -4.106 -5.088 -11.808 1.00 0.00 C ATOM 191 C LEU A 16 -5.047 -5.977 -12.615 1.00 0.00 C ATOM 192 O LEU A 16 -5.501 -5.553 -13.677 1.00 0.00 O ATOM 193 CB LEU A 16 -2.694 -5.163 -12.412 1.00 0.00 C ATOM 194 CG LEU A 16 -1.662 -4.261 -11.715 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.301 -4.408 -12.399 1.00 0.00 C ATOM 196 CD2 LEU A 16 -2.089 -2.791 -11.704 1.00 0.00 C ATOM 0 H LEU A 16 -3.460 -6.265 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.474 -4.063 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.346 -6.195 -12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.747 -4.889 -13.466 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.591 -4.584 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.427 -3.767 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.027 -5.446 -12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.386 -4.116 -13.446 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.328 -2.195 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.207 -2.439 -12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.036 -2.691 -11.174 1.00 0.00 H new ATOM 208 N CYS A 17 -5.344 -7.177 -12.112 1.00 0.00 N ATOM 209 CA CYS A 17 -6.110 -8.234 -12.756 1.00 0.00 C ATOM 210 C CYS A 17 -7.011 -8.858 -11.685 1.00 0.00 C ATOM 211 O CYS A 17 -6.684 -8.773 -10.501 1.00 0.00 O ATOM 212 CB CYS A 17 -5.115 -9.278 -13.297 1.00 0.00 C ATOM 213 SG CYS A 17 -5.641 -9.953 -14.892 1.00 0.00 S ATOM 0 H CYS A 17 -5.032 -7.450 -11.180 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.719 -7.860 -13.579 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.131 -8.820 -13.404 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.013 -10.089 -12.576 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.768 -10.824 -15.303 1.00 0.00 H new ATOM 219 N SER A 18 -8.108 -9.508 -12.071 1.00 0.00 N ATOM 220 CA SER A 18 -8.977 -10.201 -11.129 1.00 0.00 C ATOM 221 C SER A 18 -8.423 -11.592 -10.811 1.00 0.00 C ATOM 222 O SER A 18 -7.991 -12.310 -11.723 1.00 0.00 O ATOM 223 CB SER A 18 -10.402 -10.253 -11.695 1.00 0.00 C ATOM 224 OG SER A 18 -10.435 -10.811 -13.003 1.00 0.00 O ATOM 0 H SER A 18 -8.416 -9.567 -13.042 1.00 0.00 H new ATOM 0 HA SER A 18 -9.011 -9.656 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.034 -10.844 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.820 -9.246 -11.719 1.00 0.00 H new ATOM 0 HG SER A 18 -11.359 -10.829 -13.328 1.00 0.00 H new ATOM 230 N TRP A 19 -8.431 -11.987 -9.534 1.00 0.00 N ATOM 231 CA TRP A 19 -7.919 -13.271 -9.089 1.00 0.00 C ATOM 232 C TRP A 19 -8.582 -13.692 -7.774 1.00 0.00 C ATOM 233 O TRP A 19 -8.348 -13.102 -6.717 1.00 0.00 O ATOM 234 CB TRP A 19 -6.399 -13.204 -8.961 1.00 0.00 C ATOM 235 CG TRP A 19 -5.780 -14.506 -8.589 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.818 -15.635 -9.330 1.00 0.00 C ATOM 237 CD2 TRP A 19 -5.094 -14.851 -7.356 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.191 -16.650 -8.639 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.702 -16.215 -7.429 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.827 -14.167 -6.154 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -4.080 -16.862 -6.355 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -4.101 -14.776 -5.114 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.706 -16.119 -5.220 1.00 0.00 C ATOM 0 H TRP A 19 -8.799 -11.411 -8.777 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.164 -14.032 -9.830 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.976 -12.866 -9.907 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.137 -12.458 -8.211 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.268 -15.728 -10.308 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.101 -17.606 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.186 -13.156 -6.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.888 -17.924 -6.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.847 -14.208 -4.231 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.120 -16.578 -4.437 1.00 0.00 H new ATOM 254 N THR A 20 -9.437 -14.704 -7.876 1.00 0.00 N ATOM 255 CA THR A 20 -10.158 -15.371 -6.803 1.00 0.00 C ATOM 256 C THR A 20 -9.229 -16.243 -5.946 1.00 0.00 C ATOM 257 O THR A 20 -8.082 -16.514 -6.323 1.00 0.00 O ATOM 258 CB THR A 20 -11.251 -16.215 -7.483 1.00 0.00 C ATOM 259 OG1 THR A 20 -10.727 -16.837 -8.650 1.00 0.00 O ATOM 260 CG2 THR A 20 -12.428 -15.337 -7.914 1.00 0.00 C ATOM 0 H THR A 20 -9.660 -15.110 -8.785 1.00 0.00 H new ATOM 0 HA THR A 20 -10.590 -14.644 -6.116 1.00 0.00 H new ATOM 0 HB THR A 20 -11.588 -16.961 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.427 -17.374 -9.077 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.188 -15.956 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.856 -14.848 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.080 -14.581 -8.618 1.00 0.00 H new ATOM 268 N ALA A 21 -9.724 -16.715 -4.793 1.00 0.00 N ATOM 269 CA ALA A 21 -8.964 -17.532 -3.847 1.00 0.00 C ATOM 270 C ALA A 21 -8.886 -18.993 -4.313 1.00 0.00 C ATOM 271 O ALA A 21 -9.724 -19.457 -5.091 1.00 0.00 O ATOM 272 CB ALA A 21 -9.563 -17.435 -2.442 1.00 0.00 C ATOM 0 H ALA A 21 -10.681 -16.534 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.947 -17.142 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.982 -18.050 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.540 -16.398 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.594 -17.788 -2.461 1.00 0.00 H new ATOM 278 N LYS A 22 -7.879 -19.730 -3.828 1.00 0.00 N ATOM 279 CA LYS A 22 -7.602 -21.124 -4.192 1.00 0.00 C ATOM 280 C LYS A 22 -7.218 -21.899 -2.931 1.00 0.00 C ATOM 281 O LYS A 22 -7.949 -22.797 -2.514 1.00 0.00 O ATOM 282 CB LYS A 22 -6.501 -21.240 -5.281 1.00 0.00 C ATOM 283 CG LYS A 22 -6.941 -20.945 -6.728 1.00 0.00 C ATOM 284 CD LYS A 22 -6.880 -19.488 -7.177 1.00 0.00 C ATOM 285 CE LYS A 22 -7.513 -19.225 -8.546 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.837 -19.934 -9.649 1.00 0.00 N ATOM 0 H LYS A 22 -7.213 -19.360 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.504 -21.555 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.691 -20.557 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.090 -22.249 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.318 -21.535 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.965 -21.297 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.381 -18.869 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.837 -19.172 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.560 -19.526 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.495 -18.154 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.313 -19.714 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.844 -19.630 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.876 -20.959 -9.478 1.00 0.00 H new ATOM 300 N LYS A 23 -6.055 -21.604 -2.341 1.00 0.00 N ATOM 301 CA LYS A 23 -5.651 -22.163 -1.046 1.00 0.00 C ATOM 302 C LYS A 23 -6.418 -21.448 0.062 1.00 0.00 C ATOM 303 O LYS A 23 -7.153 -20.503 -0.227 1.00 0.00 O ATOM 304 CB LYS A 23 -4.145 -21.964 -0.837 1.00 0.00 C ATOM 305 CG LYS A 23 -3.227 -22.775 -1.760 1.00 0.00 C ATOM 306 CD LYS A 23 -3.251 -24.277 -1.447 1.00 0.00 C ATOM 307 CE LYS A 23 -4.109 -25.057 -2.444 1.00 0.00 C ATOM 308 NZ LYS A 23 -4.182 -26.486 -2.089 1.00 0.00 N ATOM 0 H LYS A 23 -5.367 -20.971 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.873 -23.230 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.916 -20.906 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.905 -22.217 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.530 -22.619 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.206 -22.405 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.233 -24.667 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.636 -24.431 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.114 -24.635 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.693 -24.950 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.771 -26.987 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.225 -26.893 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.602 -26.588 -1.143 1.00 0.00 H new ATOM 322 N ASP A 24 -6.249 -21.891 1.309 1.00 0.00 N ATOM 323 CA ASP A 24 -6.906 -21.350 2.500 1.00 0.00 C ATOM 324 C ASP A 24 -6.518 -19.885 2.646 1.00 0.00 C ATOM 325 O ASP A 24 -7.296 -18.988 2.330 1.00 0.00 O ATOM 326 CB ASP A 24 -6.498 -22.120 3.772 1.00 0.00 C ATOM 327 CG ASP A 24 -6.847 -23.590 3.709 1.00 0.00 C ATOM 328 OD1 ASP A 24 -6.082 -24.326 3.041 1.00 0.00 O ATOM 329 OD2 ASP A 24 -7.864 -24.036 4.282 1.00 0.00 O ATOM 0 H ASP A 24 -5.625 -22.668 1.525 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.984 -21.454 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.424 -22.013 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.990 -21.672 4.635 1.00 0.00 H new ATOM 334 N ASN A 25 -5.282 -19.633 3.077 1.00 0.00 N ATOM 335 CA ASN A 25 -4.719 -18.308 3.302 1.00 0.00 C ATOM 336 C ASN A 25 -4.194 -17.692 2.006 1.00 0.00 C ATOM 337 O ASN A 25 -3.192 -16.984 2.037 1.00 0.00 O ATOM 338 CB ASN A 25 -3.650 -18.342 4.412 1.00 0.00 C ATOM 339 CG ASN A 25 -2.388 -19.139 4.098 1.00 0.00 C ATOM 340 OD1 ASN A 25 -2.384 -20.077 3.304 1.00 0.00 O ATOM 341 ND2 ASN A 25 -1.287 -18.820 4.749 1.00 0.00 N ATOM 0 H ASN A 25 -4.620 -20.380 3.287 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.521 -17.657 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.361 -17.317 4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.103 -18.756 5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.431 -19.352 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.292 -18.041 5.408 1.00 0.00 H new ATOM 348 N HIS A 26 -4.852 -17.932 0.869 1.00 0.00 N ATOM 349 CA HIS A 26 -4.755 -17.034 -0.275 1.00 0.00 C ATOM 350 C HIS A 26 -5.677 -15.834 -0.047 1.00 0.00 C ATOM 351 O HIS A 26 -6.640 -15.911 0.720 1.00 0.00 O ATOM 352 CB HIS A 26 -5.180 -17.748 -1.564 1.00 0.00 C ATOM 353 CG HIS A 26 -4.106 -18.522 -2.289 1.00 0.00 C ATOM 354 ND1 HIS A 26 -4.255 -19.015 -3.559 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.808 -18.750 -1.914 1.00 0.00 C ATOM 356 CE1 HIS A 26 -3.088 -19.525 -3.956 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.181 -19.427 -2.973 1.00 0.00 N ATOM 0 H HIS A 26 -5.456 -18.741 0.720 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.720 -16.708 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.991 -18.434 -1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.586 -17.003 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.352 -18.463 -0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.901 -19.955 -4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.223 -19.776 -2.991 1.00 0.00 H new ATOM 365 N LEU A 27 -5.381 -14.729 -0.731 1.00 0.00 N ATOM 366 CA LEU A 27 -6.256 -13.566 -0.847 1.00 0.00 C ATOM 367 C LEU A 27 -7.131 -13.753 -2.098 1.00 0.00 C ATOM 368 O LEU A 27 -6.784 -14.537 -2.986 1.00 0.00 O ATOM 369 CB LEU A 27 -5.355 -12.310 -0.900 1.00 0.00 C ATOM 370 CG LEU A 27 -5.980 -10.926 -0.633 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.705 -10.391 -1.861 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.900 -10.921 0.585 1.00 0.00 C ATOM 0 H LEU A 27 -4.500 -14.617 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.932 -13.449 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.551 -12.452 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.895 -12.277 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.150 -10.256 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.132 -9.414 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.000 -10.296 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.502 -11.079 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.312 -9.922 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.713 -11.630 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.333 -11.208 1.471 1.00 0.00 H new ATOM 384 N ASN A 28 -8.242 -13.021 -2.191 1.00 0.00 N ATOM 385 CA ASN A 28 -9.158 -12.977 -3.325 1.00 0.00 C ATOM 386 C ASN A 28 -9.481 -11.515 -3.616 1.00 0.00 C ATOM 387 O ASN A 28 -10.069 -10.853 -2.761 1.00 0.00 O ATOM 388 CB ASN A 28 -10.440 -13.786 -3.045 1.00 0.00 C ATOM 389 CG ASN A 28 -10.949 -13.796 -1.604 1.00 0.00 C ATOM 390 OD1 ASN A 28 -10.686 -14.713 -0.830 1.00 0.00 O ATOM 391 ND2 ASN A 28 -11.679 -12.790 -1.181 1.00 0.00 N ATOM 0 H ASN A 28 -8.541 -12.409 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.688 -13.434 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.233 -13.396 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.264 -14.818 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.020 -12.776 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.905 -12.022 -1.813 1.00 0.00 H new ATOM 398 N PHE A 29 -9.075 -11.003 -4.783 1.00 0.00 N ATOM 399 CA PHE A 29 -9.354 -9.637 -5.229 1.00 0.00 C ATOM 400 C PHE A 29 -9.875 -9.621 -6.663 1.00 0.00 C ATOM 401 O PHE A 29 -9.804 -10.624 -7.380 1.00 0.00 O ATOM 402 CB PHE A 29 -8.119 -8.729 -5.089 1.00 0.00 C ATOM 403 CG PHE A 29 -6.789 -9.184 -5.694 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.645 -9.476 -7.067 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.637 -9.203 -4.884 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.379 -9.787 -7.600 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.377 -9.520 -5.406 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.246 -9.799 -6.770 1.00 0.00 C ATOM 0 H PHE A 29 -8.531 -11.541 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.133 -9.239 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.368 -7.764 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.955 -8.559 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.511 -9.461 -7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.728 -8.967 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.279 -10.017 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.512 -9.549 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.274 -10.024 -7.185 1.00 0.00 H new ATOM 418 N SER A 30 -10.337 -8.461 -7.117 1.00 0.00 N ATOM 419 CA SER A 30 -10.685 -8.212 -8.496 1.00 0.00 C ATOM 420 C SER A 30 -9.756 -7.152 -9.089 1.00 0.00 C ATOM 421 O SER A 30 -8.901 -6.571 -8.420 1.00 0.00 O ATOM 422 CB SER A 30 -12.155 -7.814 -8.578 1.00 0.00 C ATOM 423 OG SER A 30 -12.860 -8.710 -9.420 1.00 0.00 O ATOM 0 H SER A 30 -10.481 -7.651 -6.513 1.00 0.00 H new ATOM 0 HA SER A 30 -10.552 -9.116 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.596 -7.817 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.243 -6.798 -8.962 1.00 0.00 H new ATOM 0 HG SER A 30 -13.803 -8.445 -9.463 1.00 0.00 H new ATOM 429 N LYS A 31 -9.917 -6.919 -10.388 1.00 0.00 N ATOM 430 CA LYS A 31 -9.194 -5.900 -11.128 1.00 0.00 C ATOM 431 C LYS A 31 -9.422 -4.544 -10.480 1.00 0.00 C ATOM 432 O LYS A 31 -10.548 -4.204 -10.129 1.00 0.00 O ATOM 433 CB LYS A 31 -9.689 -5.951 -12.570 1.00 0.00 C ATOM 434 CG LYS A 31 -8.907 -4.945 -13.405 1.00 0.00 C ATOM 435 CD LYS A 31 -8.954 -5.336 -14.873 1.00 0.00 C ATOM 436 CE LYS A 31 -8.038 -4.370 -15.601 1.00 0.00 C ATOM 437 NZ LYS A 31 -8.136 -4.526 -17.060 1.00 0.00 N ATOM 0 H LYS A 31 -10.570 -7.448 -10.966 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.118 -6.074 -11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.562 -6.955 -12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.754 -5.724 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.326 -3.947 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.872 -4.904 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.623 -6.365 -15.012 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.971 -5.273 -15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.295 -3.347 -15.326 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.008 -4.536 -15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.497 -3.850 -17.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.867 -5.495 -17.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.114 -4.343 -17.364 1.00 0.00 H new ATOM 451 N HIS A 32 -8.343 -3.781 -10.364 1.00 0.00 N ATOM 452 CA HIS A 32 -8.265 -2.438 -9.826 1.00 0.00 C ATOM 453 C HIS A 32 -8.690 -2.315 -8.358 1.00 0.00 C ATOM 454 O HIS A 32 -8.705 -1.191 -7.846 1.00 0.00 O ATOM 455 CB HIS A 32 -8.956 -1.426 -10.758 1.00 0.00 C ATOM 456 CG HIS A 32 -8.460 -1.425 -12.185 1.00 0.00 C ATOM 457 ND1 HIS A 32 -9.206 -1.085 -13.292 1.00 0.00 N ATOM 458 CD2 HIS A 32 -7.196 -1.736 -12.613 1.00 0.00 C ATOM 459 CE1 HIS A 32 -8.410 -1.187 -14.366 1.00 0.00 C ATOM 460 NE2 HIS A 32 -7.182 -1.608 -14.006 1.00 0.00 N ATOM 0 H HIS A 32 -7.429 -4.116 -10.669 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.206 -2.181 -9.800 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.026 -1.632 -10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.825 -0.426 -10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.363 -2.027 -11.989 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.711 -0.963 -15.379 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.396 -1.797 -14.628 1.00 0.00 H new ATOM 468 N ASP A 33 -8.977 -3.416 -7.651 1.00 0.00 N ATOM 469 CA ASP A 33 -9.236 -3.337 -6.218 1.00 0.00 C ATOM 470 C ASP A 33 -7.972 -2.918 -5.485 1.00 0.00 C ATOM 471 O ASP A 33 -6.855 -3.182 -5.930 1.00 0.00 O ATOM 472 CB ASP A 33 -9.748 -4.660 -5.635 1.00 0.00 C ATOM 473 CG ASP A 33 -11.243 -4.837 -5.854 1.00 0.00 C ATOM 474 OD1 ASP A 33 -12.020 -3.899 -5.552 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.643 -5.921 -6.323 1.00 0.00 O ATOM 0 H ASP A 33 -9.034 -4.355 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.020 -2.593 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.213 -5.491 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.531 -4.694 -4.567 1.00 0.00 H new ATOM 480 N ILE A 34 -8.152 -2.272 -4.341 1.00 0.00 N ATOM 481 CA ILE A 34 -7.080 -1.809 -3.479 1.00 0.00 C ATOM 482 C ILE A 34 -7.031 -2.755 -2.302 1.00 0.00 C ATOM 483 O ILE A 34 -8.063 -3.005 -1.675 1.00 0.00 O ATOM 484 CB ILE A 34 -7.362 -0.349 -3.077 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.151 0.565 -4.304 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.541 0.100 -1.850 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.696 0.959 -4.527 1.00 0.00 C ATOM 0 H ILE A 34 -9.079 -2.050 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.106 -1.812 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.402 -0.270 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.522 0.056 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.749 1.468 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.780 1.136 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.785 -0.534 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.477 0.015 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.623 1.601 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.327 1.496 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.096 0.062 -4.682 1.00 0.00 H new ATOM 499 N ILE A 35 -5.839 -3.285 -2.026 1.00 0.00 N ATOM 500 CA ILE A 35 -5.633 -4.218 -0.943 1.00 0.00 C ATOM 501 C ILE A 35 -4.604 -3.561 -0.037 1.00 0.00 C ATOM 502 O ILE A 35 -3.618 -2.972 -0.503 1.00 0.00 O ATOM 503 CB ILE A 35 -5.201 -5.587 -1.516 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.157 -6.084 -2.622 1.00 0.00 C ATOM 505 CG2 ILE A 35 -4.966 -6.680 -0.459 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.577 -5.970 -4.026 1.00 0.00 C ATOM 0 H ILE A 35 -4.993 -3.072 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.531 -4.431 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.225 -5.395 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.414 -7.125 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.084 -5.512 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.667 -7.605 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.179 -6.362 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.886 -6.849 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.304 -6.337 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.346 -4.927 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.666 -6.564 -4.093 1.00 0.00 H new ATOM 518 N THR A 36 -4.836 -3.692 1.259 1.00 0.00 N ATOM 519 CA THR A 36 -3.887 -3.353 2.289 1.00 0.00 C ATOM 520 C THR A 36 -2.794 -4.402 2.182 1.00 0.00 C ATOM 521 O THR A 36 -3.074 -5.566 2.432 1.00 0.00 O ATOM 522 CB THR A 36 -4.632 -3.461 3.626 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.606 -2.450 3.755 1.00 0.00 O ATOM 524 CG2 THR A 36 -3.713 -3.401 4.830 1.00 0.00 C ATOM 0 H THR A 36 -5.718 -4.048 1.627 1.00 0.00 H new ATOM 0 HA THR A 36 -3.461 -2.353 2.203 1.00 0.00 H new ATOM 0 HB THR A 36 -5.107 -4.442 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.065 -2.546 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.303 -3.483 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.999 -4.224 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.175 -2.453 4.830 1.00 0.00 H new ATOM 532 N VAL A 37 -1.579 -4.044 1.784 1.00 0.00 N ATOM 533 CA VAL A 37 -0.437 -4.922 1.973 1.00 0.00 C ATOM 534 C VAL A 37 -0.160 -4.967 3.475 1.00 0.00 C ATOM 535 O VAL A 37 -0.392 -3.990 4.186 1.00 0.00 O ATOM 536 CB VAL A 37 0.778 -4.428 1.163 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.968 -5.398 1.312 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.407 -4.372 -0.327 1.00 0.00 C ATOM 0 H VAL A 37 -1.362 -3.156 1.331 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.643 -5.927 1.605 1.00 0.00 H new ATOM 0 HB VAL A 37 1.056 -3.443 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.813 -5.029 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.251 -5.468 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.681 -6.384 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.264 -4.023 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.121 -5.367 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.428 -3.686 -0.468 1.00 0.00 H new ATOM 548 N LEU A 38 0.345 -6.094 3.968 1.00 0.00 N ATOM 549 CA LEU A 38 0.660 -6.275 5.375 1.00 0.00 C ATOM 550 C LEU A 38 2.035 -6.905 5.510 1.00 0.00 C ATOM 551 O LEU A 38 2.852 -6.383 6.260 1.00 0.00 O ATOM 552 CB LEU A 38 -0.402 -7.150 6.062 1.00 0.00 C ATOM 553 CG LEU A 38 -1.807 -6.521 6.119 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.810 -7.618 6.483 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.903 -5.323 7.083 1.00 0.00 C ATOM 0 H LEU A 38 0.548 -6.913 3.394 1.00 0.00 H new ATOM 0 HA LEU A 38 0.662 -5.301 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.465 -8.103 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.073 -7.368 7.078 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.038 -6.108 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.813 -7.193 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.782 -8.402 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.550 -8.041 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.919 -4.929 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.649 -5.647 8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.209 -4.544 6.766 1.00 0.00 H new ATOM 567 N GLU A 39 2.307 -8.001 4.799 1.00 0.00 N ATOM 568 CA GLU A 39 3.558 -8.744 4.923 1.00 0.00 C ATOM 569 C GLU A 39 4.134 -8.970 3.533 1.00 0.00 C ATOM 570 O GLU A 39 3.396 -8.928 2.546 1.00 0.00 O ATOM 571 CB GLU A 39 3.295 -10.084 5.641 1.00 0.00 C ATOM 572 CG GLU A 39 4.538 -10.716 6.271 1.00 0.00 C ATOM 573 CD GLU A 39 5.178 -9.762 7.268 1.00 0.00 C ATOM 574 OE1 GLU A 39 4.577 -9.503 8.337 1.00 0.00 O ATOM 575 OE2 GLU A 39 6.259 -9.234 6.924 1.00 0.00 O ATOM 0 H GLU A 39 1.660 -8.399 4.118 1.00 0.00 H new ATOM 0 HA GLU A 39 4.278 -8.179 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.548 -9.925 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.867 -10.787 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.266 -11.645 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.256 -10.972 5.492 1.00 0.00 H new ATOM 582 N GLN A 40 5.433 -9.248 3.442 1.00 0.00 N ATOM 583 CA GLN A 40 6.100 -9.541 2.183 1.00 0.00 C ATOM 584 C GLN A 40 7.041 -10.722 2.390 1.00 0.00 C ATOM 585 O GLN A 40 7.787 -10.747 3.373 1.00 0.00 O ATOM 586 CB GLN A 40 6.851 -8.304 1.660 1.00 0.00 C ATOM 587 CG GLN A 40 5.936 -7.079 1.488 1.00 0.00 C ATOM 588 CD GLN A 40 6.593 -5.984 0.655 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.742 -5.605 0.881 1.00 0.00 O ATOM 590 NE2 GLN A 40 5.892 -5.471 -0.341 1.00 0.00 N ATOM 0 H GLN A 40 6.055 -9.275 4.250 1.00 0.00 H new ATOM 0 HA GLN A 40 5.360 -9.804 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.657 -8.055 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.314 -8.543 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.005 -7.387 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.676 -6.681 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.941 -5.796 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.302 -4.750 -0.935 1.00 0.00 H new ATOM 599 N GLN A 41 6.980 -11.674 1.460 1.00 0.00 N ATOM 600 CA GLN A 41 7.925 -12.764 1.247 1.00 0.00 C ATOM 601 C GLN A 41 8.664 -12.497 -0.078 1.00 0.00 C ATOM 602 O GLN A 41 8.629 -11.379 -0.606 1.00 0.00 O ATOM 603 CB GLN A 41 7.186 -14.120 1.249 1.00 0.00 C ATOM 604 CG GLN A 41 6.509 -14.475 2.590 1.00 0.00 C ATOM 605 CD GLN A 41 7.395 -15.259 3.561 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.559 -15.544 3.284 1.00 0.00 O ATOM 607 NE2 GLN A 41 6.897 -15.606 4.736 1.00 0.00 N ATOM 0 H GLN A 41 6.213 -11.704 0.789 1.00 0.00 H new ATOM 0 HA GLN A 41 8.657 -12.812 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.428 -14.108 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.896 -14.907 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.187 -13.553 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.611 -15.058 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.932 -15.372 4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.478 -16.108 5.408 1.00 0.00 H new ATOM 616 N GLU A 42 9.343 -13.505 -0.634 1.00 0.00 N ATOM 617 CA GLU A 42 10.153 -13.398 -1.842 1.00 0.00 C ATOM 618 C GLU A 42 9.407 -12.790 -3.026 1.00 0.00 C ATOM 619 O GLU A 42 9.942 -11.929 -3.725 1.00 0.00 O ATOM 620 CB GLU A 42 10.724 -14.765 -2.225 1.00 0.00 C ATOM 621 CG GLU A 42 9.763 -15.949 -2.447 1.00 0.00 C ATOM 622 CD GLU A 42 9.634 -16.850 -1.218 1.00 0.00 C ATOM 623 OE1 GLU A 42 9.755 -16.362 -0.070 1.00 0.00 O ATOM 624 OE2 GLU A 42 9.418 -18.071 -1.384 1.00 0.00 O ATOM 0 H GLU A 42 9.341 -14.446 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 42 10.965 -12.711 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.300 -14.634 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.428 -15.056 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.778 -15.566 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.115 -16.542 -3.291 1.00 0.00 H new ATOM 631 N ASN A 43 8.181 -13.242 -3.259 1.00 0.00 N ATOM 632 CA ASN A 43 7.348 -12.821 -4.375 1.00 0.00 C ATOM 633 C ASN A 43 5.874 -12.824 -4.007 1.00 0.00 C ATOM 634 O ASN A 43 5.075 -12.228 -4.725 1.00 0.00 O ATOM 635 CB ASN A 43 7.604 -13.716 -5.605 1.00 0.00 C ATOM 636 CG ASN A 43 8.480 -12.951 -6.587 1.00 0.00 C ATOM 637 OD1 ASN A 43 8.066 -11.922 -7.109 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.693 -13.403 -6.860 1.00 0.00 N ATOM 0 H ASN A 43 7.727 -13.931 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 43 7.621 -11.796 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.093 -14.642 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.660 -13.992 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.293 -12.894 -7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.029 -14.260 -6.421 1.00 0.00 H new ATOM 645 N TRP A 44 5.513 -13.462 -2.895 1.00 0.00 N ATOM 646 CA TRP A 44 4.160 -13.443 -2.368 1.00 0.00 C ATOM 647 C TRP A 44 4.082 -12.372 -1.293 1.00 0.00 C ATOM 648 O TRP A 44 5.006 -12.283 -0.487 1.00 0.00 O ATOM 649 CB TRP A 44 3.831 -14.815 -1.787 1.00 0.00 C ATOM 650 CG TRP A 44 3.602 -15.874 -2.824 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.545 -16.484 -3.576 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.333 -16.414 -3.284 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.949 -17.372 -4.449 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.574 -17.334 -4.341 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.992 -16.189 -2.927 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.521 -17.960 -5.026 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.074 -16.800 -3.605 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.190 -17.666 -4.679 1.00 0.00 C ATOM 0 H TRP A 44 6.163 -14.011 -2.332 1.00 0.00 H new ATOM 0 HA TRP A 44 3.439 -13.218 -3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.647 -15.128 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.940 -14.731 -1.164 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.607 -16.303 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.459 -17.978 -5.091 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.775 -15.524 -2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.732 -18.665 -5.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.092 -16.605 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.625 -18.104 -5.236 1.00 0.00 H new ATOM 669 N TRP A 45 3.006 -11.585 -1.247 1.00 0.00 N ATOM 670 CA TRP A 45 2.726 -10.600 -0.206 1.00 0.00 C ATOM 671 C TRP A 45 1.446 -11.012 0.486 1.00 0.00 C ATOM 672 O TRP A 45 0.573 -11.602 -0.145 1.00 0.00 O ATOM 673 CB TRP A 45 2.581 -9.189 -0.792 1.00 0.00 C ATOM 674 CG TRP A 45 3.795 -8.631 -1.466 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.021 -9.198 -1.457 1.00 0.00 C ATOM 676 CD2 TRP A 45 3.913 -7.430 -2.281 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.872 -8.486 -2.273 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.249 -7.365 -2.771 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.030 -6.404 -2.684 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.680 -6.356 -3.633 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.458 -5.377 -3.550 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.782 -5.359 -4.031 1.00 0.00 C ATOM 0 H TRP A 45 2.279 -11.619 -1.962 1.00 0.00 H new ATOM 0 HA TRP A 45 3.556 -10.569 0.500 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.762 -9.198 -1.511 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.292 -8.511 0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.293 -10.078 -0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.834 -8.754 -2.480 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.012 -6.406 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.699 -6.344 -3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.768 -4.601 -3.846 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.103 -4.578 -4.705 1.00 0.00 H new ATOM 693 N PHE A 46 1.346 -10.735 1.779 1.00 0.00 N ATOM 694 CA PHE A 46 0.106 -10.894 2.514 1.00 0.00 C ATOM 695 C PHE A 46 -0.593 -9.550 2.506 1.00 0.00 C ATOM 696 O PHE A 46 0.065 -8.504 2.535 1.00 0.00 O ATOM 697 CB PHE A 46 0.407 -11.317 3.947 1.00 0.00 C ATOM 698 CG PHE A 46 -0.740 -11.867 4.767 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.273 -13.126 4.451 1.00 0.00 C ATOM 700 CD2 PHE A 46 -1.182 -11.202 5.923 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.212 -13.743 5.293 1.00 0.00 C ATOM 702 CE2 PHE A 46 -2.136 -11.808 6.756 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.642 -13.084 6.454 1.00 0.00 C ATOM 0 H PHE A 46 2.124 -10.394 2.344 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.523 -11.659 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.192 -12.072 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.815 -10.454 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.957 -13.627 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.789 -10.227 6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.601 -14.720 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.484 -11.289 7.637 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.358 -13.554 7.112 1.00 0.00 H new ATOM 713 N GLY A 47 -1.917 -9.552 2.540 1.00 0.00 N ATOM 714 CA GLY A 47 -2.672 -8.322 2.618 1.00 0.00 C ATOM 715 C GLY A 47 -4.132 -8.594 2.903 1.00 0.00 C ATOM 716 O GLY A 47 -4.512 -9.760 2.956 1.00 0.00 O ATOM 0 H GLY A 47 -2.487 -10.397 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.258 -7.687 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.578 -7.774 1.680 1.00 0.00 H new ATOM 720 N GLU A 48 -4.930 -7.539 3.087 1.00 0.00 N ATOM 721 CA GLU A 48 -6.342 -7.597 3.440 1.00 0.00 C ATOM 722 C GLU A 48 -7.188 -6.796 2.456 1.00 0.00 C ATOM 723 O GLU A 48 -6.923 -5.613 2.212 1.00 0.00 O ATOM 724 CB GLU A 48 -6.568 -7.053 4.871 1.00 0.00 C ATOM 725 CG GLU A 48 -8.017 -7.240 5.360 1.00 0.00 C ATOM 726 CD GLU A 48 -8.212 -7.250 6.889 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.517 -6.518 7.636 1.00 0.00 O ATOM 728 OE2 GLU A 48 -9.091 -8.000 7.381 1.00 0.00 O ATOM 0 H GLU A 48 -4.590 -6.582 2.989 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.648 -8.642 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.890 -7.559 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.315 -5.993 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.628 -6.441 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.398 -8.179 4.958 1.00 0.00 H new ATOM 735 N VAL A 49 -8.217 -7.433 1.901 1.00 0.00 N ATOM 736 CA VAL A 49 -9.298 -6.764 1.167 1.00 0.00 C ATOM 737 C VAL A 49 -10.579 -7.584 1.342 1.00 0.00 C ATOM 738 O VAL A 49 -10.500 -8.782 1.624 1.00 0.00 O ATOM 739 CB VAL A 49 -8.879 -6.526 -0.297 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.676 -7.826 -1.063 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.802 -5.613 -1.098 1.00 0.00 C ATOM 0 H VAL A 49 -8.328 -8.446 1.947 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.502 -5.770 1.565 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.928 -6.002 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.382 -7.602 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.894 -8.414 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.606 -8.394 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.420 -5.510 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.803 -6.044 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.844 -4.632 -0.625 1.00 0.00 H new ATOM 751 N HIS A 50 -11.759 -6.974 1.206 1.00 0.00 N ATOM 752 CA HIS A 50 -13.052 -7.598 1.495 1.00 0.00 C ATOM 753 C HIS A 50 -13.061 -8.214 2.912 1.00 0.00 C ATOM 754 O HIS A 50 -13.676 -9.253 3.162 1.00 0.00 O ATOM 755 CB HIS A 50 -13.408 -8.618 0.391 1.00 0.00 C ATOM 756 CG HIS A 50 -13.412 -8.080 -1.025 1.00 0.00 C ATOM 757 ND1 HIS A 50 -14.328 -7.199 -1.549 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.607 -8.488 -2.057 1.00 0.00 C ATOM 759 CE1 HIS A 50 -14.080 -7.064 -2.860 1.00 0.00 C ATOM 760 NE2 HIS A 50 -13.050 -7.847 -3.225 1.00 0.00 N ATOM 0 H HIS A 50 -11.844 -6.010 0.884 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.831 -6.836 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.699 -9.445 0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.394 -9.029 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.780 -9.179 -1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.630 -6.418 -3.528 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.666 -7.954 -4.164 1.00 0.00 H new ATOM 768 N GLY A 51 -12.310 -7.623 3.848 1.00 0.00 N ATOM 769 CA GLY A 51 -12.094 -8.124 5.200 1.00 0.00 C ATOM 770 C GLY A 51 -11.380 -9.473 5.256 1.00 0.00 C ATOM 771 O GLY A 51 -11.220 -10.030 6.342 1.00 0.00 O ATOM 0 H GLY A 51 -11.818 -6.747 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.511 -7.392 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.058 -8.213 5.702 1.00 0.00 H new ATOM 775 N GLY A 52 -10.949 -10.030 4.126 1.00 0.00 N ATOM 776 CA GLY A 52 -10.204 -11.265 4.050 1.00 0.00 C ATOM 777 C GLY A 52 -8.734 -10.936 3.942 1.00 0.00 C ATOM 778 O GLY A 52 -8.348 -10.109 3.127 1.00 0.00 O ATOM 0 H GLY A 52 -11.120 -9.612 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.391 -11.875 4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.525 -11.848 3.187 1.00 0.00 H new ATOM 782 N ARG A 53 -7.913 -11.562 4.779 1.00 0.00 N ATOM 783 CA ARG A 53 -6.466 -11.561 4.645 1.00 0.00 C ATOM 784 C ARG A 53 -6.012 -12.840 3.986 1.00 0.00 C ATOM 785 O ARG A 53 -6.580 -13.894 4.268 1.00 0.00 O ATOM 786 CB ARG A 53 -5.734 -11.428 5.984 1.00 0.00 C ATOM 787 CG ARG A 53 -5.951 -10.063 6.592 1.00 0.00 C ATOM 788 CD ARG A 53 -5.349 -9.911 7.984 1.00 0.00 C ATOM 789 NE ARG A 53 -6.001 -8.798 8.683 1.00 0.00 N ATOM 790 CZ ARG A 53 -6.826 -8.874 9.732 1.00 0.00 C ATOM 791 NH1 ARG A 53 -7.026 -10.022 10.373 1.00 0.00 N ATOM 792 NH2 ARG A 53 -7.452 -7.772 10.114 1.00 0.00 N ATOM 0 H ARG A 53 -8.244 -12.094 5.584 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.218 -10.690 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.087 -12.196 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.667 -11.598 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.519 -9.309 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.021 -9.864 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.477 -10.834 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.277 -9.729 7.910 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.803 -7.862 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.545 -10.868 10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.660 -10.057 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.298 -6.898 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.088 -7.797 10.911 1.00 0.00 H new ATOM 806 N GLY A 54 -4.939 -12.757 3.209 1.00 0.00 N ATOM 807 CA GLY A 54 -4.309 -13.902 2.591 1.00 0.00 C ATOM 808 C GLY A 54 -3.093 -13.473 1.785 1.00 0.00 C ATOM 809 O GLY A 54 -2.830 -12.281 1.623 1.00 0.00 O ATOM 0 H GLY A 54 -4.479 -11.873 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.010 -14.617 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.022 -14.410 1.941 1.00 0.00 H new ATOM 813 N TRP A 55 -2.351 -14.456 1.287 1.00 0.00 N ATOM 814 CA TRP A 55 -1.160 -14.300 0.474 1.00 0.00 C ATOM 815 C TRP A 55 -1.531 -14.166 -1.003 1.00 0.00 C ATOM 816 O TRP A 55 -2.523 -14.750 -1.457 1.00 0.00 O ATOM 817 CB TRP A 55 -0.253 -15.515 0.716 1.00 0.00 C ATOM 818 CG TRP A 55 0.424 -15.480 2.045 1.00 0.00 C ATOM 819 CD1 TRP A 55 0.007 -16.074 3.186 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.584 -14.682 2.405 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.822 -15.678 4.234 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.824 -14.831 3.802 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.430 -13.802 1.700 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.853 -14.133 4.454 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.437 -13.099 2.343 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.663 -13.250 3.721 1.00 0.00 C ATOM 0 H TRP A 55 -2.581 -15.436 1.452 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.629 -13.390 0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.847 -16.426 0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.502 -15.561 -0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.830 -16.751 3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.698 -15.974 5.202 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.291 -13.673 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.021 -14.274 5.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.059 -12.423 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.449 -12.695 4.211 1.00 0.00 H new ATOM 837 N PHE A 56 -0.708 -13.449 -1.771 1.00 0.00 N ATOM 838 CA PHE A 56 -0.911 -13.295 -3.216 1.00 0.00 C ATOM 839 C PHE A 56 0.421 -13.011 -3.922 1.00 0.00 C ATOM 840 O PHE A 56 1.264 -12.336 -3.333 1.00 0.00 O ATOM 841 CB PHE A 56 -1.939 -12.183 -3.481 1.00 0.00 C ATOM 842 CG PHE A 56 -1.632 -10.830 -2.875 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.869 -9.885 -3.586 1.00 0.00 C ATOM 844 CD2 PHE A 56 -2.144 -10.503 -1.606 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.628 -8.617 -3.030 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.921 -9.229 -1.063 1.00 0.00 C ATOM 847 CZ PHE A 56 -1.162 -8.285 -1.773 1.00 0.00 C ATOM 0 H PHE A 56 0.113 -12.961 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.303 -14.227 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.040 -12.060 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.907 -12.515 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.469 -10.134 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.710 -11.235 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.031 -7.896 -3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.333 -8.974 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.989 -7.305 -1.354 1.00 0.00 H new ATOM 857 N PRO A 57 0.664 -13.502 -5.154 1.00 0.00 N ATOM 858 CA PRO A 57 1.850 -13.130 -5.917 1.00 0.00 C ATOM 859 C PRO A 57 1.782 -11.641 -6.246 1.00 0.00 C ATOM 860 O PRO A 57 0.791 -11.178 -6.821 1.00 0.00 O ATOM 861 CB PRO A 57 1.847 -13.973 -7.200 1.00 0.00 C ATOM 862 CG PRO A 57 0.696 -14.962 -7.026 1.00 0.00 C ATOM 863 CD PRO A 57 -0.208 -14.318 -5.979 1.00 0.00 C ATOM 0 HA PRO A 57 2.766 -13.312 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.700 -13.349 -8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.796 -14.492 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.165 -15.122 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.056 -15.936 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.982 -13.711 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.716 -15.075 -5.382 1.00 0.00 H new ATOM 871 N LYS A 58 2.831 -10.877 -5.932 1.00 0.00 N ATOM 872 CA LYS A 58 2.791 -9.435 -6.166 1.00 0.00 C ATOM 873 C LYS A 58 2.702 -9.087 -7.646 1.00 0.00 C ATOM 874 O LYS A 58 2.355 -7.958 -7.984 1.00 0.00 O ATOM 875 CB LYS A 58 3.989 -8.737 -5.519 1.00 0.00 C ATOM 876 CG LYS A 58 5.229 -8.577 -6.426 1.00 0.00 C ATOM 877 CD LYS A 58 6.497 -8.912 -5.665 1.00 0.00 C ATOM 878 CE LYS A 58 7.740 -8.949 -6.528 1.00 0.00 C ATOM 879 NZ LYS A 58 8.319 -7.608 -6.769 1.00 0.00 N ATOM 0 H LYS A 58 3.699 -11.224 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 58 1.879 -9.069 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.675 -7.749 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.279 -9.298 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.137 -9.229 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.283 -7.555 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.638 -8.177 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.373 -9.881 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.488 -9.581 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.497 -9.411 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.166 -7.698 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.619 -7.009 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.579 -7.174 -5.860 1.00 0.00 H new ATOM 893 N SER A 59 3.045 -10.008 -8.548 1.00 0.00 N ATOM 894 CA SER A 59 3.061 -9.689 -9.961 1.00 0.00 C ATOM 895 C SER A 59 1.673 -9.265 -10.463 1.00 0.00 C ATOM 896 O SER A 59 1.558 -8.506 -11.427 1.00 0.00 O ATOM 897 CB SER A 59 3.604 -10.876 -10.749 1.00 0.00 C ATOM 898 OG SER A 59 2.942 -12.078 -10.405 1.00 0.00 O ATOM 0 H SER A 59 3.311 -10.966 -8.322 1.00 0.00 H new ATOM 0 HA SER A 59 3.721 -8.836 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.487 -10.689 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.672 -10.981 -10.559 1.00 0.00 H new ATOM 0 HG SER A 59 3.313 -12.818 -10.930 1.00 0.00 H new ATOM 904 N TYR A 60 0.615 -9.715 -9.789 1.00 0.00 N ATOM 905 CA TYR A 60 -0.769 -9.423 -10.103 1.00 0.00 C ATOM 906 C TYR A 60 -1.152 -7.998 -9.701 1.00 0.00 C ATOM 907 O TYR A 60 -2.241 -7.564 -10.070 1.00 0.00 O ATOM 908 CB TYR A 60 -1.668 -10.422 -9.363 1.00 0.00 C ATOM 909 CG TYR A 60 -1.666 -11.849 -9.889 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.473 -12.595 -9.941 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.883 -12.465 -10.244 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.467 -13.919 -10.398 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.894 -13.796 -10.696 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.688 -14.526 -10.781 1.00 0.00 C ATOM 915 OH TYR A 60 -1.727 -15.809 -11.229 1.00 0.00 O ATOM 0 H TYR A 60 0.712 -10.320 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.902 -9.512 -11.181 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.366 -10.443 -8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.691 -10.048 -9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.453 -12.139 -9.623 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.809 -11.914 -10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.459 -14.471 -10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.827 -14.261 -10.979 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.652 -16.053 -11.443 1.00 0.00 H new ATOM 925 N VAL A 61 -0.311 -7.272 -8.959 1.00 0.00 N ATOM 926 CA VAL A 61 -0.653 -6.004 -8.323 1.00 0.00 C ATOM 927 C VAL A 61 0.380 -4.941 -8.710 1.00 0.00 C ATOM 928 O VAL A 61 1.345 -5.227 -9.427 1.00 0.00 O ATOM 929 CB VAL A 61 -0.829 -6.193 -6.790 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.628 -7.469 -6.457 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.476 -6.219 -5.974 1.00 0.00 C ATOM 0 H VAL A 61 0.651 -7.561 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.617 -5.645 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.377 -5.299 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.728 -7.564 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.618 -7.407 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.103 -8.340 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.242 -6.355 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.103 -7.043 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.008 -5.278 -6.109 1.00 0.00 H new ATOM 941 N LYS A 62 0.204 -3.709 -8.236 1.00 0.00 N ATOM 942 CA LYS A 62 1.263 -2.716 -8.169 1.00 0.00 C ATOM 943 C LYS A 62 1.247 -2.087 -6.790 1.00 0.00 C ATOM 944 O LYS A 62 0.172 -1.824 -6.255 1.00 0.00 O ATOM 945 CB LYS A 62 1.103 -1.646 -9.261 1.00 0.00 C ATOM 946 CG LYS A 62 -0.184 -0.802 -9.155 1.00 0.00 C ATOM 947 CD LYS A 62 -0.327 0.208 -10.301 1.00 0.00 C ATOM 948 CE LYS A 62 0.183 1.622 -9.992 1.00 0.00 C ATOM 949 NZ LYS A 62 1.626 1.699 -9.683 1.00 0.00 N ATOM 0 H LYS A 62 -0.692 -3.372 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 62 2.223 -3.203 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.963 -0.978 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.121 -2.135 -10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.049 -1.465 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.187 -0.269 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.210 -0.173 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.379 0.271 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.028 2.265 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.378 2.020 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.948 2.684 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.791 1.366 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.156 1.102 -10.349 1.00 0.00 H new ATOM 963 N ILE A 63 2.418 -1.750 -6.257 1.00 0.00 N ATOM 964 CA ILE A 63 2.512 -0.744 -5.212 1.00 0.00 C ATOM 965 C ILE A 63 2.035 0.575 -5.814 1.00 0.00 C ATOM 966 O ILE A 63 2.091 0.813 -7.027 1.00 0.00 O ATOM 967 CB ILE A 63 3.956 -0.685 -4.662 1.00 0.00 C ATOM 968 CG1 ILE A 63 4.167 -1.883 -3.723 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.360 0.658 -4.021 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.372 -1.814 -2.769 1.00 0.00 C ATOM 0 H ILE A 63 3.311 -2.159 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 63 1.882 -0.982 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 63 4.634 -0.752 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.266 -2.007 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.269 -2.780 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.389 0.597 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.277 1.454 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.699 0.874 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.408 -2.719 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.291 -1.729 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.272 -0.945 -2.119 1.00 0.00 H new ATOM 982 N ILE A 64 1.535 1.423 -4.928 1.00 0.00 N ATOM 983 CA ILE A 64 0.994 2.733 -5.201 1.00 0.00 C ATOM 984 C ILE A 64 1.826 3.691 -4.340 1.00 0.00 C ATOM 985 O ILE A 64 2.405 3.269 -3.333 1.00 0.00 O ATOM 986 CB ILE A 64 -0.515 2.794 -4.834 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.266 1.450 -4.882 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.275 3.748 -5.772 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.506 1.496 -3.993 1.00 0.00 C ATOM 0 H ILE A 64 1.497 1.193 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 64 1.051 2.994 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.503 3.138 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.556 1.226 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.606 0.647 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.328 3.771 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.855 4.751 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.180 3.399 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.023 0.538 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.209 1.698 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.173 2.286 -4.339 1.00 0.00 H new ATOM 1001 N PRO A 65 1.940 4.967 -4.716 1.00 0.00 N ATOM 1002 CA PRO A 65 2.416 5.984 -3.804 1.00 0.00 C ATOM 1003 C PRO A 65 1.362 6.237 -2.727 1.00 0.00 C ATOM 1004 O PRO A 65 1.651 6.139 -1.536 1.00 0.00 O ATOM 1005 CB PRO A 65 2.770 7.195 -4.668 1.00 0.00 C ATOM 1006 CG PRO A 65 2.194 6.911 -6.062 1.00 0.00 C ATOM 1007 CD PRO A 65 1.557 5.527 -5.993 1.00 0.00 C ATOM 0 HA PRO A 65 3.308 5.696 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.346 8.108 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.850 7.337 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.456 7.664 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.978 6.940 -6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.472 5.593 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.904 4.898 -6.813 1.00 0.00 H new ATOM 1015 N GLY A 66 0.133 6.526 -3.145 1.00 0.00 N ATOM 1016 CA GLY A 66 -0.931 6.984 -2.262 1.00 0.00 C ATOM 1017 C GLY A 66 -0.571 8.342 -1.669 1.00 0.00 C ATOM 1018 O GLY A 66 -0.706 8.533 -0.461 1.00 0.00 O ATOM 0 H GLY A 66 -0.154 6.447 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.867 7.057 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.088 6.260 -1.463 1.00 0.00 H new ATOM 1022 N SER A 67 -0.069 9.243 -2.518 1.00 0.00 N ATOM 1023 CA SER A 67 0.374 10.582 -2.183 1.00 0.00 C ATOM 1024 C SER A 67 -0.888 11.420 -2.019 1.00 0.00 C ATOM 1025 O SER A 67 -1.372 11.610 -0.909 1.00 0.00 O ATOM 1026 CB SER A 67 1.309 11.046 -3.318 1.00 0.00 C ATOM 1027 OG SER A 67 1.911 12.319 -3.171 1.00 0.00 O ATOM 0 H SER A 67 0.042 9.037 -3.511 1.00 0.00 H new ATOM 0 HA SER A 67 0.943 10.661 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.102 10.306 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.740 11.045 -4.248 1.00 0.00 H new ATOM 0 HG SER A 67 1.292 12.922 -2.708 1.00 0.00 H new ATOM 1033 N GLU A 68 -1.465 11.872 -3.125 1.00 0.00 N ATOM 1034 CA GLU A 68 -2.587 12.792 -3.178 1.00 0.00 C ATOM 1035 C GLU A 68 -3.445 12.383 -4.374 1.00 0.00 C ATOM 1036 O GLU A 68 -3.009 11.576 -5.206 1.00 0.00 O ATOM 1037 CB GLU A 68 -2.053 14.221 -3.387 1.00 0.00 C ATOM 1038 CG GLU A 68 -1.711 14.971 -2.094 1.00 0.00 C ATOM 1039 CD GLU A 68 -0.480 14.472 -1.342 1.00 0.00 C ATOM 1040 OE1 GLU A 68 0.521 14.088 -1.994 1.00 0.00 O ATOM 1041 OE2 GLU A 68 -0.491 14.514 -0.087 1.00 0.00 O ATOM 0 H GLU A 68 -1.146 11.592 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.169 12.764 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.160 14.173 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.797 14.796 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.564 16.024 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.570 14.914 -1.425 1.00 0.00 H new ATOM 1048 N SER A 69 -4.643 12.964 -4.489 1.00 0.00 N ATOM 1049 CA SER A 69 -5.608 12.639 -5.530 1.00 0.00 C ATOM 1050 C SER A 69 -5.973 11.134 -5.568 1.00 0.00 C ATOM 1051 O SER A 69 -6.306 10.559 -6.612 1.00 0.00 O ATOM 1052 CB SER A 69 -5.108 13.239 -6.852 1.00 0.00 C ATOM 1053 OG SER A 69 -5.845 14.418 -7.149 1.00 0.00 O ATOM 0 H SER A 69 -4.970 13.686 -3.847 1.00 0.00 H new ATOM 0 HA SER A 69 -6.573 13.097 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.045 13.471 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.222 12.514 -7.658 1.00 0.00 H new ATOM 0 HG SER A 69 -5.524 14.801 -7.992 1.00 0.00 H new ATOM 1059 N GLY A 70 -6.014 10.501 -4.393 1.00 0.00 N ATOM 1060 CA GLY A 70 -6.540 9.160 -4.210 1.00 0.00 C ATOM 1061 C GLY A 70 -7.865 9.114 -3.434 1.00 0.00 C ATOM 1062 O GLY A 70 -7.895 8.463 -2.385 1.00 0.00 O ATOM 0 H GLY A 70 -5.673 10.922 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.686 8.701 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.800 8.558 -3.683 1.00 0.00 H new ATOM 1066 N PRO A 71 -8.955 9.774 -3.884 1.00 0.00 N ATOM 1067 CA PRO A 71 -10.226 9.701 -3.182 1.00 0.00 C ATOM 1068 C PRO A 71 -10.925 8.359 -3.412 1.00 0.00 C ATOM 1069 O PRO A 71 -11.379 7.746 -2.444 1.00 0.00 O ATOM 1070 CB PRO A 71 -11.048 10.875 -3.716 1.00 0.00 C ATOM 1071 CG PRO A 71 -10.536 11.077 -5.140 1.00 0.00 C ATOM 1072 CD PRO A 71 -9.074 10.642 -5.051 1.00 0.00 C ATOM 0 HA PRO A 71 -10.094 9.766 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.115 10.651 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.903 11.770 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.093 10.474 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.628 12.116 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.773 10.114 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.419 11.508 -4.955 1.00 0.00 H new ATOM 1080 N SER A 72 -11.013 7.910 -4.672 1.00 0.00 N ATOM 1081 CA SER A 72 -11.822 6.775 -5.116 1.00 0.00 C ATOM 1082 C SER A 72 -13.296 6.833 -4.656 1.00 0.00 C ATOM 1083 O SER A 72 -13.762 7.821 -4.085 1.00 0.00 O ATOM 1084 CB SER A 72 -11.107 5.469 -4.732 1.00 0.00 C ATOM 1085 OG SER A 72 -9.983 5.296 -5.569 1.00 0.00 O ATOM 0 H SER A 72 -10.500 8.348 -5.437 1.00 0.00 H new ATOM 0 HA SER A 72 -11.904 6.821 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.797 5.503 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.787 4.623 -4.835 1.00 0.00 H new ATOM 0 HG SER A 72 -9.521 4.466 -5.329 1.00 0.00 H new ATOM 1091 N SER A 73 -14.025 5.750 -4.937 1.00 0.00 N ATOM 1092 CA SER A 73 -15.365 5.457 -4.473 1.00 0.00 C ATOM 1093 C SER A 73 -16.375 6.370 -5.166 1.00 0.00 C ATOM 1094 O SER A 73 -16.831 7.374 -4.608 1.00 0.00 O ATOM 1095 CB SER A 73 -15.403 5.488 -2.937 1.00 0.00 C ATOM 1096 OG SER A 73 -16.432 4.652 -2.452 1.00 0.00 O ATOM 0 H SER A 73 -13.661 5.010 -5.537 1.00 0.00 H new ATOM 0 HA SER A 73 -15.661 4.445 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.443 5.163 -2.537 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.563 6.509 -2.592 1.00 0.00 H new ATOM 0 HG SER A 73 -16.443 4.681 -1.472 1.00 0.00 H new ATOM 1102 N GLY A 74 -16.819 5.969 -6.356 1.00 0.00 N ATOM 1103 CA GLY A 74 -17.680 6.773 -7.210 1.00 0.00 C ATOM 1104 C GLY A 74 -16.808 7.759 -7.948 1.00 0.00 C ATOM 1105 O GLY A 74 -17.097 8.969 -7.895 1.00 0.00 O ATOM 0 H GLY A 74 -16.585 5.061 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.219 6.139 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -18.428 7.296 -6.614 1.00 0.00 H new TER 1109 GLY A 74