USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 133:sc= 0.866 USER MOD Set 1.2: A 51 ASN : amide:sc= -0.0761 K(o=0.79,f=-0.88) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0279 F(o=-1.3!,f=-0.028) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 15 SER OG : rot -170:sc= -0.364 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.0108 X(o=0.011,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.1 K(o=-0.1,f=-4.4!) USER MOD Single : A 32 SER OG : rot -36:sc= 0.239 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0.88 K(o=0.88,f=-0.6) USER MOD Single : A 40 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -144:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 60 SER OG : rot 180:sc=-0.00808 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.500 4.798 -2.000 1.00 1.05 N ATOM 2 CA VAL A 5 -10.179 6.064 -1.652 1.00 1.18 C ATOM 3 C VAL A 5 -11.037 5.886 -0.403 1.00 1.64 C ATOM 4 O VAL A 5 -11.395 4.766 -0.036 1.00 2.42 O ATOM 5 CB VAL A 5 -11.060 6.571 -2.815 1.00 1.97 C ATOM 6 CG1 VAL A 5 -10.208 6.888 -4.032 1.00 2.80 C ATOM 7 CG2 VAL A 5 -12.140 5.557 -3.169 1.00 2.59 C ATOM 0 HA VAL A 5 -9.405 6.806 -1.457 1.00 1.18 H new ATOM 0 HB VAL A 5 -11.552 7.487 -2.488 1.00 1.97 H new ATOM 0 HG11 VAL A 5 -10.847 7.244 -4.841 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -9.482 7.660 -3.777 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -9.683 5.988 -4.353 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -12.744 5.941 -3.991 1.00 2.59 H new ATOM 0 HG22 VAL A 5 -11.674 4.619 -3.469 1.00 2.59 H new ATOM 0 HG23 VAL A 5 -12.776 5.385 -2.301 1.00 2.59 H new ATOM 17 N GLN A 6 -11.358 6.986 0.256 1.00 1.99 N ATOM 18 CA GLN A 6 -12.118 6.931 1.493 1.00 2.85 C ATOM 19 C GLN A 6 -13.604 7.097 1.202 1.00 2.54 C ATOM 20 O GLN A 6 -14.109 8.219 1.105 1.00 3.16 O ATOM 21 CB GLN A 6 -11.639 8.020 2.454 1.00 3.91 C ATOM 22 CG GLN A 6 -12.186 7.881 3.865 1.00 4.91 C ATOM 23 CD GLN A 6 -11.810 9.052 4.752 1.00 6.00 C ATOM 24 OE1 GLN A 6 -11.715 10.238 4.166 1.00 6.69 O flip ATOM 25 NE2 GLN A 6 -11.614 8.897 5.955 1.00 6.45 N flip ATOM 0 H GLN A 6 -11.105 7.927 -0.044 1.00 1.99 H new ATOM 0 HA GLN A 6 -11.961 5.959 1.961 1.00 2.85 H new ATOM 0 HB2 GLN A 6 -10.550 8.002 2.494 1.00 3.91 H new ATOM 0 HB3 GLN A 6 -11.928 8.993 2.057 1.00 3.91 H new ATOM 0 HG2 GLN A 6 -13.272 7.795 3.823 1.00 4.91 H new ATOM 0 HG3 GLN A 6 -11.810 6.959 4.308 1.00 4.91 H new ATOM 0 HE21 GLN A 6 -11.697 7.969 6.370 1.00 6.45 H new ATOM 0 HE22 GLN A 6 -11.369 9.697 6.539 1.00 6.45 H new ATOM 34 N LEU A 7 -14.297 5.975 1.062 1.00 1.99 N ATOM 35 CA LEU A 7 -15.701 5.980 0.685 1.00 1.82 C ATOM 36 C LEU A 7 -16.607 6.143 1.899 1.00 2.14 C ATOM 37 O LEU A 7 -16.852 5.182 2.633 1.00 2.82 O ATOM 38 CB LEU A 7 -16.052 4.690 -0.060 1.00 1.60 C ATOM 39 CG LEU A 7 -15.335 4.497 -1.398 1.00 1.56 C ATOM 40 CD1 LEU A 7 -15.652 3.129 -1.980 1.00 1.63 C ATOM 41 CD2 LEU A 7 -15.727 5.593 -2.379 1.00 2.29 C ATOM 0 H LEU A 7 -13.905 5.044 1.205 1.00 1.99 H new ATOM 0 HA LEU A 7 -15.865 6.834 0.027 1.00 1.82 H new ATOM 0 HB2 LEU A 7 -15.820 3.842 0.584 1.00 1.60 H new ATOM 0 HB3 LEU A 7 -17.128 4.672 -0.236 1.00 1.60 H new ATOM 0 HG LEU A 7 -14.261 4.559 -1.222 1.00 1.56 H new ATOM 0 HD11 LEU A 7 -15.134 3.009 -2.931 1.00 1.63 H new ATOM 0 HD12 LEU A 7 -15.323 2.354 -1.288 1.00 1.63 H new ATOM 0 HD13 LEU A 7 -16.727 3.041 -2.139 1.00 1.63 H new ATOM 0 HD21 LEU A 7 -15.207 5.438 -3.324 1.00 2.29 H new ATOM 0 HD22 LEU A 7 -16.803 5.562 -2.548 1.00 2.29 H new ATOM 0 HD23 LEU A 7 -15.452 6.564 -1.968 1.00 2.29 H new ATOM 53 N SER A 8 -17.073 7.376 2.107 1.00 2.20 N ATOM 54 CA SER A 8 -18.068 7.701 3.132 1.00 2.72 C ATOM 55 C SER A 8 -17.489 7.636 4.547 1.00 2.76 C ATOM 56 O SER A 8 -17.438 8.648 5.248 1.00 3.10 O ATOM 57 CB SER A 8 -19.284 6.777 3.007 1.00 3.21 C ATOM 58 OG SER A 8 -19.811 6.811 1.689 1.00 3.77 O ATOM 0 H SER A 8 -16.768 8.184 1.564 1.00 2.20 H new ATOM 0 HA SER A 8 -18.381 8.731 2.962 1.00 2.72 H new ATOM 0 HB2 SER A 8 -18.999 5.757 3.263 1.00 3.21 H new ATOM 0 HB3 SER A 8 -20.052 7.081 3.718 1.00 3.21 H new ATOM 0 HG SER A 8 -20.585 6.213 1.631 1.00 3.77 H new ATOM 64 N GLU A 9 -17.042 6.461 4.963 1.00 2.62 N ATOM 65 CA GLU A 9 -16.552 6.275 6.320 1.00 2.82 C ATOM 66 C GLU A 9 -15.220 5.540 6.309 1.00 2.50 C ATOM 67 O GLU A 9 -14.191 6.089 6.708 1.00 2.64 O ATOM 68 CB GLU A 9 -17.584 5.498 7.138 1.00 3.14 C ATOM 69 CG GLU A 9 -17.264 5.420 8.620 1.00 3.67 C ATOM 70 CD GLU A 9 -18.327 4.672 9.395 1.00 4.14 C ATOM 71 OE1 GLU A 9 -19.508 5.068 9.335 1.00 4.39 O ATOM 72 OE2 GLU A 9 -17.983 3.682 10.073 1.00 4.59 O ATOM 0 H GLU A 9 -17.008 5.623 4.382 1.00 2.62 H new ATOM 0 HA GLU A 9 -16.398 7.252 6.778 1.00 2.82 H new ATOM 0 HB2 GLU A 9 -18.560 5.966 7.012 1.00 3.14 H new ATOM 0 HB3 GLU A 9 -17.662 4.486 6.740 1.00 3.14 H new ATOM 0 HG2 GLU A 9 -16.302 4.926 8.757 1.00 3.67 H new ATOM 0 HG3 GLU A 9 -17.165 6.428 9.022 1.00 3.67 H new ATOM 79 N THR A 10 -15.246 4.303 5.841 1.00 2.14 N ATOM 80 CA THR A 10 -14.051 3.483 5.776 1.00 1.81 C ATOM 81 C THR A 10 -13.344 3.661 4.442 1.00 1.38 C ATOM 82 O THR A 10 -13.987 3.818 3.404 1.00 1.31 O ATOM 83 CB THR A 10 -14.397 1.991 5.971 1.00 1.90 C ATOM 84 OG1 THR A 10 -15.533 1.645 5.163 1.00 2.04 O ATOM 85 CG2 THR A 10 -14.698 1.690 7.431 1.00 2.42 C ATOM 0 H THR A 10 -16.090 3.843 5.498 1.00 2.14 H new ATOM 0 HA THR A 10 -13.388 3.806 6.579 1.00 1.81 H new ATOM 0 HB THR A 10 -13.536 1.397 5.666 1.00 1.90 H new ATOM 0 HG1 THR A 10 -15.747 0.697 5.289 1.00 2.04 H new ATOM 0 HG21 THR A 10 -14.939 0.633 7.542 1.00 2.42 H new ATOM 0 HG22 THR A 10 -13.826 1.930 8.039 1.00 2.42 H new ATOM 0 HG23 THR A 10 -15.546 2.292 7.759 1.00 2.42 H new ATOM 93 N PRO A 11 -12.003 3.670 4.457 1.00 1.30 N ATOM 94 CA PRO A 11 -11.190 3.655 3.236 1.00 1.17 C ATOM 95 C PRO A 11 -11.217 2.288 2.540 1.00 0.93 C ATOM 96 O PRO A 11 -10.250 1.899 1.898 1.00 1.52 O ATOM 97 CB PRO A 11 -9.768 3.976 3.734 1.00 1.41 C ATOM 98 CG PRO A 11 -9.921 4.409 5.155 1.00 1.69 C ATOM 99 CD PRO A 11 -11.170 3.748 5.664 1.00 1.58 C ATOM 0 HA PRO A 11 -11.560 4.364 2.496 1.00 1.17 H new ATOM 0 HB2 PRO A 11 -9.121 3.102 3.659 1.00 1.41 H new ATOM 0 HB3 PRO A 11 -9.312 4.762 3.133 1.00 1.41 H new ATOM 0 HG2 PRO A 11 -9.055 4.113 5.747 1.00 1.69 H new ATOM 0 HG3 PRO A 11 -9.999 5.494 5.225 1.00 1.69 H new ATOM 0 HD2 PRO A 11 -10.966 2.762 6.081 1.00 1.58 H new ATOM 0 HD3 PRO A 11 -11.648 4.333 6.450 1.00 1.58 H new ATOM 107 N ALA A 12 -12.328 1.573 2.718 1.00 0.86 N ATOM 108 CA ALA A 12 -12.615 0.289 2.065 1.00 0.68 C ATOM 109 C ALA A 12 -11.435 -0.691 2.035 1.00 0.67 C ATOM 110 O ALA A 12 -11.205 -1.414 3.004 1.00 1.42 O ATOM 111 CB ALA A 12 -13.171 0.511 0.665 1.00 0.91 C ATOM 0 H ALA A 12 -13.078 1.878 3.339 1.00 0.86 H new ATOM 0 HA ALA A 12 -13.370 -0.191 2.688 1.00 0.68 H new ATOM 0 HB1 ALA A 12 -13.377 -0.452 0.198 1.00 0.91 H new ATOM 0 HB2 ALA A 12 -14.093 1.089 0.727 1.00 0.91 H new ATOM 0 HB3 ALA A 12 -12.441 1.056 0.066 1.00 0.91 H new ATOM 117 N ALA A 13 -10.689 -0.718 0.933 1.00 0.64 N ATOM 118 CA ALA A 13 -9.625 -1.706 0.762 1.00 0.53 C ATOM 119 C ALA A 13 -8.327 -1.216 1.387 1.00 0.47 C ATOM 120 O ALA A 13 -7.415 -1.995 1.657 1.00 0.58 O ATOM 121 CB ALA A 13 -9.429 -2.032 -0.711 1.00 0.59 C ATOM 0 H ALA A 13 -10.799 -0.073 0.151 1.00 0.64 H new ATOM 0 HA ALA A 13 -9.921 -2.620 1.276 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -8.633 -2.769 -0.818 1.00 0.59 H new ATOM 0 HB2 ALA A 13 -10.355 -2.436 -1.121 1.00 0.59 H new ATOM 0 HB3 ALA A 13 -9.158 -1.125 -1.252 1.00 0.59 H new ATOM 127 N CYS A 14 -8.256 0.079 1.620 1.00 0.43 N ATOM 128 CA CYS A 14 -7.118 0.677 2.296 1.00 0.48 C ATOM 129 C CYS A 14 -7.518 1.010 3.729 1.00 0.53 C ATOM 130 O CYS A 14 -6.800 1.690 4.459 1.00 0.62 O ATOM 131 CB CYS A 14 -6.663 1.938 1.548 1.00 0.59 C ATOM 132 SG CYS A 14 -5.172 2.748 2.222 1.00 1.47 S ATOM 0 H CYS A 14 -8.980 0.745 1.349 1.00 0.43 H new ATOM 0 HA CYS A 14 -6.283 -0.023 2.310 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -6.475 1.675 0.507 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -7.481 2.658 1.552 1.00 0.59 H new ATOM 137 N SER A 15 -8.671 0.485 4.128 1.00 0.60 N ATOM 138 CA SER A 15 -9.262 0.795 5.417 1.00 0.70 C ATOM 139 C SER A 15 -8.398 0.263 6.563 1.00 0.71 C ATOM 140 O SER A 15 -8.375 0.832 7.654 1.00 0.87 O ATOM 141 CB SER A 15 -10.685 0.214 5.476 1.00 0.83 C ATOM 142 OG SER A 15 -11.328 0.518 6.701 1.00 1.36 O ATOM 0 H SER A 15 -9.219 -0.166 3.565 1.00 0.60 H new ATOM 0 HA SER A 15 -9.316 1.877 5.533 1.00 0.70 H new ATOM 0 HB2 SER A 15 -11.274 0.610 4.649 1.00 0.83 H new ATOM 0 HB3 SER A 15 -10.641 -0.867 5.347 1.00 0.83 H new ATOM 0 HG SER A 15 -12.161 0.006 6.769 1.00 1.36 H new ATOM 148 N SER A 16 -7.665 -0.811 6.306 1.00 0.67 N ATOM 149 CA SER A 16 -6.812 -1.406 7.326 1.00 0.83 C ATOM 150 C SER A 16 -5.346 -1.015 7.128 1.00 0.76 C ATOM 151 O SER A 16 -4.449 -1.599 7.731 1.00 0.87 O ATOM 152 CB SER A 16 -6.963 -2.929 7.308 1.00 1.00 C ATOM 153 OG SER A 16 -8.335 -3.298 7.272 1.00 1.64 O ATOM 0 H SER A 16 -7.643 -1.287 5.404 1.00 0.67 H new ATOM 0 HA SER A 16 -7.128 -1.024 8.297 1.00 0.83 H new ATOM 0 HB2 SER A 16 -6.448 -3.340 6.440 1.00 1.00 H new ATOM 0 HB3 SER A 16 -6.489 -3.357 8.192 1.00 1.00 H new ATOM 0 HG SER A 16 -8.411 -4.275 7.259 1.00 1.64 H new ATOM 159 N ASN A 17 -5.131 -0.013 6.270 1.00 0.63 N ATOM 160 CA ASN A 17 -3.792 0.500 5.950 1.00 0.65 C ATOM 161 C ASN A 17 -2.860 -0.601 5.444 1.00 0.59 C ATOM 162 O ASN A 17 -2.076 -1.167 6.203 1.00 0.77 O ATOM 163 CB ASN A 17 -3.167 1.210 7.156 1.00 0.88 C ATOM 164 CG ASN A 17 -3.805 2.560 7.426 1.00 0.99 C ATOM 165 OD1 ASN A 17 -4.779 2.665 8.171 1.00 1.37 O ATOM 166 ND2 ASN A 17 -3.256 3.605 6.821 1.00 1.69 N ATOM 0 H ASN A 17 -5.882 0.468 5.775 1.00 0.63 H new ATOM 0 HA ASN A 17 -3.919 1.224 5.145 1.00 0.65 H new ATOM 0 HB2 ASN A 17 -3.270 0.579 8.039 1.00 0.88 H new ATOM 0 HB3 ASN A 17 -2.099 1.344 6.982 1.00 0.88 H new ATOM 0 HD21 ASN A 17 -3.641 4.538 6.966 1.00 1.69 H new ATOM 0 HD22 ASN A 17 -2.449 3.475 6.211 1.00 1.69 H new ATOM 173 N PRO A 18 -2.919 -0.902 4.139 1.00 0.42 N ATOM 174 CA PRO A 18 -2.106 -1.953 3.526 1.00 0.44 C ATOM 175 C PRO A 18 -0.641 -1.551 3.395 1.00 0.42 C ATOM 176 O PRO A 18 0.242 -2.209 3.941 1.00 0.54 O ATOM 177 CB PRO A 18 -2.722 -2.142 2.133 1.00 0.43 C ATOM 178 CG PRO A 18 -3.947 -1.287 2.097 1.00 0.52 C ATOM 179 CD PRO A 18 -3.774 -0.239 3.154 1.00 0.36 C ATOM 0 HA PRO A 18 -2.110 -2.859 4.132 1.00 0.44 H new ATOM 0 HB2 PRO A 18 -2.019 -1.847 1.354 1.00 0.43 H new ATOM 0 HB3 PRO A 18 -2.973 -3.188 1.957 1.00 0.43 H new ATOM 0 HG2 PRO A 18 -4.070 -0.829 1.115 1.00 0.52 H new ATOM 0 HG3 PRO A 18 -4.840 -1.883 2.286 1.00 0.52 H new ATOM 0 HD2 PRO A 18 -3.307 0.662 2.756 1.00 0.36 H new ATOM 0 HD3 PRO A 18 -4.729 0.061 3.585 1.00 0.36 H new ATOM 187 N CYS A 19 -0.398 -0.452 2.689 1.00 0.33 N ATOM 188 CA CYS A 19 0.956 0.001 2.386 1.00 0.35 C ATOM 189 C CYS A 19 1.526 0.869 3.503 1.00 0.41 C ATOM 190 O CYS A 19 2.503 1.590 3.306 1.00 0.55 O ATOM 191 CB CYS A 19 0.937 0.785 1.078 1.00 0.31 C ATOM 192 SG CYS A 19 -0.597 0.553 0.123 1.00 0.29 S ATOM 0 H CYS A 19 -1.131 0.149 2.311 1.00 0.33 H new ATOM 0 HA CYS A 19 1.598 -0.875 2.293 1.00 0.35 H new ATOM 0 HB2 CYS A 19 1.065 1.845 1.296 1.00 0.31 H new ATOM 0 HB3 CYS A 19 1.787 0.481 0.467 1.00 0.31 H new ATOM 197 N GLY A 20 0.912 0.785 4.670 1.00 0.52 N ATOM 198 CA GLY A 20 1.371 1.550 5.813 1.00 0.62 C ATOM 199 C GLY A 20 0.989 3.017 5.735 1.00 0.64 C ATOM 200 O GLY A 20 -0.194 3.347 5.599 1.00 0.69 O ATOM 0 H GLY A 20 0.098 0.197 4.850 1.00 0.52 H new ATOM 0 HA2 GLY A 20 0.954 1.119 6.723 1.00 0.62 H new ATOM 0 HA3 GLY A 20 2.455 1.466 5.888 1.00 0.62 H new ATOM 204 N PRO A 21 1.975 3.922 5.834 1.00 0.67 N ATOM 205 CA PRO A 21 1.757 5.360 5.808 1.00 0.72 C ATOM 206 C PRO A 21 1.827 5.934 4.391 1.00 0.68 C ATOM 207 O PRO A 21 2.396 5.324 3.483 1.00 0.59 O ATOM 208 CB PRO A 21 2.916 5.898 6.665 1.00 0.80 C ATOM 209 CG PRO A 21 3.875 4.755 6.853 1.00 0.83 C ATOM 210 CD PRO A 21 3.398 3.624 5.982 1.00 0.70 C ATOM 0 HA PRO A 21 0.768 5.635 6.174 1.00 0.72 H new ATOM 0 HB2 PRO A 21 3.406 6.738 6.172 1.00 0.80 H new ATOM 0 HB3 PRO A 21 2.552 6.261 7.626 1.00 0.80 H new ATOM 0 HG2 PRO A 21 4.887 5.053 6.577 1.00 0.83 H new ATOM 0 HG3 PRO A 21 3.907 4.448 7.898 1.00 0.83 H new ATOM 0 HD2 PRO A 21 3.912 3.607 5.021 1.00 0.70 H new ATOM 0 HD3 PRO A 21 3.564 2.653 6.449 1.00 0.70 H new ATOM 218 N GLU A 22 1.260 7.125 4.224 1.00 0.81 N ATOM 219 CA GLU A 22 1.213 7.795 2.926 1.00 0.88 C ATOM 220 C GLU A 22 2.620 8.145 2.428 1.00 0.73 C ATOM 221 O GLU A 22 2.838 8.344 1.228 1.00 0.79 O ATOM 222 CB GLU A 22 0.348 9.058 3.030 1.00 1.14 C ATOM 223 CG GLU A 22 0.231 9.841 1.733 1.00 1.99 C ATOM 224 CD GLU A 22 -0.718 11.017 1.841 1.00 2.51 C ATOM 225 OE1 GLU A 22 -0.394 11.980 2.567 1.00 3.42 O ATOM 226 OE2 GLU A 22 -1.801 10.976 1.219 1.00 2.49 O ATOM 0 H GLU A 22 0.822 7.652 4.980 1.00 0.81 H new ATOM 0 HA GLU A 22 0.769 7.113 2.201 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -0.651 8.774 3.362 1.00 1.14 H new ATOM 0 HB3 GLU A 22 0.766 9.709 3.798 1.00 1.14 H new ATOM 0 HG2 GLU A 22 1.217 10.202 1.441 1.00 1.99 H new ATOM 0 HG3 GLU A 22 -0.112 9.175 0.941 1.00 1.99 H new ATOM 233 N ALA A 23 3.572 8.216 3.353 1.00 0.65 N ATOM 234 CA ALA A 23 4.961 8.485 3.003 1.00 0.57 C ATOM 235 C ALA A 23 5.588 7.279 2.311 1.00 0.46 C ATOM 236 O ALA A 23 6.448 7.427 1.441 1.00 0.46 O ATOM 237 CB ALA A 23 5.761 8.851 4.243 1.00 0.57 C ATOM 0 H ALA A 23 3.406 8.091 4.352 1.00 0.65 H new ATOM 0 HA ALA A 23 4.979 9.328 2.312 1.00 0.57 H new ATOM 0 HB1 ALA A 23 6.796 9.049 3.963 1.00 0.57 H new ATOM 0 HB2 ALA A 23 5.333 9.742 4.702 1.00 0.57 H new ATOM 0 HB3 ALA A 23 5.729 8.025 4.954 1.00 0.57 H new ATOM 243 N ALA A 24 5.135 6.091 2.696 1.00 0.41 N ATOM 244 CA ALA A 24 5.674 4.854 2.154 1.00 0.34 C ATOM 245 C ALA A 24 5.129 4.600 0.755 1.00 0.29 C ATOM 246 O ALA A 24 5.887 4.351 -0.182 1.00 0.29 O ATOM 247 CB ALA A 24 5.354 3.681 3.072 1.00 0.41 C ATOM 0 H ALA A 24 4.393 5.961 3.384 1.00 0.41 H new ATOM 0 HA ALA A 24 6.757 4.953 2.089 1.00 0.34 H new ATOM 0 HB1 ALA A 24 5.766 2.765 2.649 1.00 0.41 H new ATOM 0 HB2 ALA A 24 5.794 3.857 4.054 1.00 0.41 H new ATOM 0 HB3 ALA A 24 4.273 3.581 3.171 1.00 0.41 H new ATOM 253 N GLY A 25 3.816 4.684 0.613 1.00 0.34 N ATOM 254 CA GLY A 25 3.209 4.456 -0.675 1.00 0.39 C ATOM 255 C GLY A 25 1.731 4.761 -0.689 1.00 0.46 C ATOM 256 O GLY A 25 1.107 4.924 0.360 1.00 0.61 O ATOM 0 H GLY A 25 3.164 4.905 1.365 1.00 0.34 H new ATOM 0 HA2 GLY A 25 3.709 5.073 -1.421 1.00 0.39 H new ATOM 0 HA3 GLY A 25 3.363 3.417 -0.965 1.00 0.39 H new ATOM 260 N THR A 26 1.179 4.839 -1.885 1.00 0.43 N ATOM 261 CA THR A 26 -0.230 5.108 -2.073 1.00 0.52 C ATOM 262 C THR A 26 -1.000 3.797 -2.191 1.00 0.36 C ATOM 263 O THR A 26 -0.534 2.852 -2.830 1.00 0.28 O ATOM 264 CB THR A 26 -0.449 5.940 -3.349 1.00 0.69 C ATOM 265 OG1 THR A 26 0.597 6.916 -3.484 1.00 0.87 O ATOM 266 CG2 THR A 26 -1.799 6.643 -3.321 1.00 0.82 C ATOM 0 H THR A 26 1.698 4.717 -2.754 1.00 0.43 H new ATOM 0 HA THR A 26 -0.593 5.668 -1.211 1.00 0.52 H new ATOM 0 HB THR A 26 -0.430 5.261 -4.201 1.00 0.69 H new ATOM 0 HG1 THR A 26 0.452 7.440 -4.299 1.00 0.87 H new ATOM 0 HG21 THR A 26 -1.926 7.223 -4.235 1.00 0.82 H new ATOM 0 HG22 THR A 26 -2.594 5.901 -3.249 1.00 0.82 H new ATOM 0 HG23 THR A 26 -1.845 7.309 -2.459 1.00 0.82 H new ATOM 274 N CYS A 27 -2.166 3.732 -1.576 1.00 0.39 N ATOM 275 CA CYS A 27 -2.998 2.548 -1.664 1.00 0.33 C ATOM 276 C CYS A 27 -4.111 2.756 -2.683 1.00 0.29 C ATOM 277 O CYS A 27 -4.979 3.616 -2.516 1.00 0.32 O ATOM 278 CB CYS A 27 -3.575 2.197 -0.294 1.00 0.45 C ATOM 279 SG CYS A 27 -4.316 3.607 0.595 1.00 1.42 S ATOM 0 H CYS A 27 -2.558 4.485 -1.010 1.00 0.39 H new ATOM 0 HA CYS A 27 -2.381 1.713 -1.997 1.00 0.33 H new ATOM 0 HB2 CYS A 27 -4.333 1.424 -0.420 1.00 0.45 H new ATOM 0 HB3 CYS A 27 -2.783 1.770 0.322 1.00 0.45 H new ATOM 284 N LYS A 28 -4.074 1.973 -3.746 1.00 0.35 N ATOM 285 CA LYS A 28 -5.027 2.111 -4.833 1.00 0.43 C ATOM 286 C LYS A 28 -5.898 0.867 -4.912 1.00 0.39 C ATOM 287 O LYS A 28 -5.403 -0.240 -5.107 1.00 0.39 O ATOM 288 CB LYS A 28 -4.283 2.337 -6.155 1.00 0.58 C ATOM 289 CG LYS A 28 -4.856 3.461 -7.005 1.00 0.83 C ATOM 290 CD LYS A 28 -6.273 3.166 -7.462 1.00 1.17 C ATOM 291 CE LYS A 28 -6.868 4.345 -8.210 1.00 1.52 C ATOM 292 NZ LYS A 28 -8.233 4.052 -8.716 1.00 1.92 N ATOM 0 H LYS A 28 -3.389 1.229 -3.880 1.00 0.35 H new ATOM 0 HA LYS A 28 -5.667 2.973 -4.647 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -3.237 2.556 -5.938 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -4.302 1.413 -6.733 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -4.846 4.389 -6.433 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -4.220 3.617 -7.876 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -6.274 2.286 -8.106 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -6.894 2.930 -6.598 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -6.904 5.212 -7.550 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -6.220 4.608 -9.046 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -8.602 4.883 -9.220 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 -8.196 3.241 -9.366 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 -8.859 3.826 -7.916 1.00 1.92 H new ATOM 306 N GLU A 29 -7.194 1.057 -4.753 1.00 0.40 N ATOM 307 CA GLU A 29 -8.130 -0.053 -4.707 1.00 0.41 C ATOM 308 C GLU A 29 -8.443 -0.547 -6.112 1.00 0.42 C ATOM 309 O GLU A 29 -8.777 0.239 -7.002 1.00 0.49 O ATOM 310 CB GLU A 29 -9.394 0.390 -3.986 1.00 0.50 C ATOM 311 CG GLU A 29 -9.090 1.032 -2.649 1.00 0.60 C ATOM 312 CD GLU A 29 -10.283 1.716 -2.037 1.00 0.85 C ATOM 313 OE1 GLU A 29 -10.862 2.592 -2.702 1.00 1.12 O ATOM 314 OE2 GLU A 29 -10.664 1.351 -0.906 1.00 1.66 O ATOM 0 H GLU A 29 -7.626 1.976 -4.653 1.00 0.40 H new ATOM 0 HA GLU A 29 -7.684 -0.884 -4.160 1.00 0.41 H new ATOM 0 HB2 GLU A 29 -9.939 1.097 -4.612 1.00 0.50 H new ATOM 0 HB3 GLU A 29 -10.046 -0.471 -3.835 1.00 0.50 H new ATOM 0 HG2 GLU A 29 -8.724 0.269 -1.962 1.00 0.60 H new ATOM 0 HG3 GLU A 29 -8.288 1.759 -2.776 1.00 0.60 H new ATOM 321 N THR A 30 -8.335 -1.850 -6.302 1.00 0.39 N ATOM 322 CA THR A 30 -8.461 -2.446 -7.619 1.00 0.45 C ATOM 323 C THR A 30 -9.589 -3.471 -7.661 1.00 0.46 C ATOM 324 O THR A 30 -10.321 -3.640 -6.685 1.00 0.46 O ATOM 325 CB THR A 30 -7.141 -3.120 -8.039 1.00 0.53 C ATOM 326 OG1 THR A 30 -6.724 -4.046 -7.026 1.00 0.52 O ATOM 327 CG2 THR A 30 -6.047 -2.084 -8.270 1.00 0.62 C ATOM 0 H THR A 30 -8.159 -2.520 -5.553 1.00 0.39 H new ATOM 0 HA THR A 30 -8.695 -1.642 -8.317 1.00 0.45 H new ATOM 0 HB THR A 30 -7.312 -3.653 -8.974 1.00 0.53 H new ATOM 0 HG1 THR A 30 -5.979 -4.587 -7.363 1.00 0.52 H new ATOM 0 HG21 THR A 30 -5.126 -2.587 -8.565 1.00 0.62 H new ATOM 0 HG22 THR A 30 -6.356 -1.399 -9.060 1.00 0.62 H new ATOM 0 HG23 THR A 30 -5.876 -1.524 -7.350 1.00 0.62 H new ATOM 335 N ASN A 31 -9.725 -4.154 -8.788 1.00 0.54 N ATOM 336 CA ASN A 31 -10.746 -5.188 -8.945 1.00 0.64 C ATOM 337 C ASN A 31 -10.434 -6.400 -8.068 1.00 0.60 C ATOM 338 O ASN A 31 -11.337 -7.100 -7.611 1.00 0.89 O ATOM 339 CB ASN A 31 -10.868 -5.616 -10.416 1.00 0.86 C ATOM 340 CG ASN A 31 -9.598 -6.246 -10.970 1.00 1.71 C ATOM 341 OD1 ASN A 31 -8.485 -5.907 -10.561 1.00 2.43 O ATOM 342 ND2 ASN A 31 -9.754 -7.162 -11.913 1.00 2.38 N ATOM 0 H ASN A 31 -9.141 -4.013 -9.612 1.00 0.54 H new ATOM 0 HA ASN A 31 -11.699 -4.766 -8.626 1.00 0.64 H new ATOM 0 HB2 ASN A 31 -11.689 -6.326 -10.513 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -11.126 -4.746 -11.020 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -8.938 -7.613 -12.326 1.00 2.38 H new ATOM 0 HD22 ASN A 31 -10.691 -7.417 -12.226 1.00 2.38 H new ATOM 349 N SER A 32 -9.151 -6.630 -7.820 1.00 0.60 N ATOM 350 CA SER A 32 -8.715 -7.753 -7.003 1.00 0.65 C ATOM 351 C SER A 32 -8.735 -7.368 -5.525 1.00 0.53 C ATOM 352 O SER A 32 -8.494 -8.198 -4.646 1.00 0.79 O ATOM 353 CB SER A 32 -7.304 -8.184 -7.421 1.00 0.82 C ATOM 354 OG SER A 32 -6.929 -9.403 -6.797 1.00 1.44 O ATOM 0 H SER A 32 -8.391 -6.050 -8.176 1.00 0.60 H new ATOM 0 HA SER A 32 -9.399 -8.589 -7.154 1.00 0.65 H new ATOM 0 HB2 SER A 32 -7.263 -8.300 -8.504 1.00 0.82 H new ATOM 0 HB3 SER A 32 -6.590 -7.404 -7.157 1.00 0.82 H new ATOM 0 HG SER A 32 -7.288 -9.428 -5.885 1.00 1.44 H new ATOM 360 N GLY A 33 -9.034 -6.104 -5.263 1.00 0.36 N ATOM 361 CA GLY A 33 -9.044 -5.603 -3.911 1.00 0.37 C ATOM 362 C GLY A 33 -8.304 -4.290 -3.811 1.00 0.31 C ATOM 363 O GLY A 33 -8.912 -3.224 -3.862 1.00 0.35 O ATOM 0 H GLY A 33 -9.272 -5.412 -5.974 1.00 0.36 H new ATOM 0 HA2 GLY A 33 -10.073 -5.470 -3.577 1.00 0.37 H new ATOM 0 HA3 GLY A 33 -8.585 -6.334 -3.246 1.00 0.37 H new ATOM 367 N TYR A 34 -6.991 -4.366 -3.689 1.00 0.28 N ATOM 368 CA TYR A 34 -6.162 -3.174 -3.623 1.00 0.25 C ATOM 369 C TYR A 34 -4.738 -3.488 -4.056 1.00 0.30 C ATOM 370 O TYR A 34 -4.276 -4.626 -3.947 1.00 0.38 O ATOM 371 CB TYR A 34 -6.151 -2.586 -2.206 1.00 0.24 C ATOM 372 CG TYR A 34 -5.657 -3.548 -1.149 1.00 0.27 C ATOM 373 CD1 TYR A 34 -4.301 -3.681 -0.894 1.00 0.34 C ATOM 374 CD2 TYR A 34 -6.544 -4.310 -0.400 1.00 0.40 C ATOM 375 CE1 TYR A 34 -3.840 -4.543 0.077 1.00 0.43 C ATOM 376 CE2 TYR A 34 -6.092 -5.178 0.574 1.00 0.48 C ATOM 377 CZ TYR A 34 -4.760 -5.339 0.776 1.00 0.48 C ATOM 378 OH TYR A 34 -4.274 -6.144 1.785 1.00 0.57 O ATOM 0 H TYR A 34 -6.474 -5.243 -3.633 1.00 0.28 H new ATOM 0 HA TYR A 34 -6.589 -2.437 -4.303 1.00 0.25 H new ATOM 0 HB2 TYR A 34 -5.521 -1.696 -2.197 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -7.160 -2.265 -1.948 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -3.594 -3.099 -1.466 1.00 0.34 H new ATOM 0 HD2 TYR A 34 -7.605 -4.222 -0.582 1.00 0.40 H new ATOM 0 HE1 TYR A 34 -2.785 -4.605 0.297 1.00 0.43 H new ATOM 0 HE2 TYR A 34 -6.799 -5.729 1.176 1.00 0.48 H new ATOM 0 HH TYR A 34 -5.014 -6.643 2.190 1.00 0.57 H new ATOM 388 N ILE A 35 -4.057 -2.480 -4.554 1.00 0.32 N ATOM 389 CA ILE A 35 -2.634 -2.568 -4.809 1.00 0.36 C ATOM 390 C ILE A 35 -1.939 -1.422 -4.098 1.00 0.29 C ATOM 391 O ILE A 35 -2.586 -0.459 -3.675 1.00 0.29 O ATOM 392 CB ILE A 35 -2.289 -2.511 -6.317 1.00 0.48 C ATOM 393 CG1 ILE A 35 -2.744 -1.179 -6.926 1.00 0.50 C ATOM 394 CG2 ILE A 35 -2.924 -3.683 -7.053 1.00 0.59 C ATOM 395 CD1 ILE A 35 -2.237 -0.947 -8.334 1.00 0.64 C ATOM 0 H ILE A 35 -4.471 -1.579 -4.793 1.00 0.32 H new ATOM 0 HA ILE A 35 -2.293 -3.534 -4.436 1.00 0.36 H new ATOM 0 HB ILE A 35 -1.207 -2.583 -6.425 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -3.833 -1.146 -6.932 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -2.404 -0.363 -6.288 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -2.671 -3.628 -8.112 1.00 0.59 H new ATOM 0 HG22 ILE A 35 -2.549 -4.619 -6.639 1.00 0.59 H new ATOM 0 HG23 ILE A 35 -4.007 -3.643 -6.936 1.00 0.59 H new ATOM 0 HD11 ILE A 35 -2.600 0.014 -8.698 1.00 0.64 H new ATOM 0 HD12 ILE A 35 -1.147 -0.947 -8.333 1.00 0.64 H new ATOM 0 HD13 ILE A 35 -2.599 -1.742 -8.987 1.00 0.64 H new ATOM 407 N CYS A 36 -0.636 -1.515 -3.971 1.00 0.26 N ATOM 408 CA CYS A 36 0.123 -0.484 -3.306 1.00 0.23 C ATOM 409 C CYS A 36 1.166 0.089 -4.239 1.00 0.25 C ATOM 410 O CYS A 36 1.891 -0.642 -4.910 1.00 0.29 O ATOM 411 CB CYS A 36 0.772 -1.030 -2.035 1.00 0.26 C ATOM 412 SG CYS A 36 -0.401 -1.301 -0.674 1.00 0.26 S ATOM 0 H CYS A 36 -0.080 -2.295 -4.320 1.00 0.26 H new ATOM 0 HA CYS A 36 -0.558 0.318 -3.021 1.00 0.23 H new ATOM 0 HB2 CYS A 36 1.269 -1.972 -2.267 1.00 0.26 H new ATOM 0 HB3 CYS A 36 1.544 -0.335 -1.705 1.00 0.26 H new ATOM 417 N ARG A 37 1.205 1.403 -4.300 1.00 0.26 N ATOM 418 CA ARG A 37 2.187 2.101 -5.103 1.00 0.30 C ATOM 419 C ARG A 37 3.207 2.745 -4.178 1.00 0.25 C ATOM 420 O ARG A 37 2.976 3.824 -3.641 1.00 0.28 O ATOM 421 CB ARG A 37 1.493 3.164 -5.967 1.00 0.38 C ATOM 422 CG ARG A 37 2.431 3.971 -6.853 1.00 0.83 C ATOM 423 CD ARG A 37 3.154 3.097 -7.866 1.00 1.27 C ATOM 424 NE ARG A 37 3.922 3.901 -8.814 1.00 2.34 N ATOM 425 CZ ARG A 37 5.231 3.770 -9.019 1.00 3.30 C ATOM 426 NH1 ARG A 37 5.919 2.830 -8.384 1.00 3.45 N ATOM 427 NH2 ARG A 37 5.849 4.568 -9.875 1.00 4.43 N ATOM 0 H ARG A 37 0.561 2.015 -3.798 1.00 0.26 H new ATOM 0 HA ARG A 37 2.694 1.401 -5.766 1.00 0.30 H new ATOM 0 HB2 ARG A 37 0.751 2.673 -6.597 1.00 0.38 H new ATOM 0 HB3 ARG A 37 0.953 3.849 -5.313 1.00 0.38 H new ATOM 0 HG2 ARG A 37 1.862 4.739 -7.378 1.00 0.83 H new ATOM 0 HG3 ARG A 37 3.163 4.486 -6.231 1.00 0.83 H new ATOM 0 HD2 ARG A 37 3.821 2.410 -7.345 1.00 1.27 H new ATOM 0 HD3 ARG A 37 2.429 2.489 -8.407 1.00 1.27 H new ATOM 0 HE ARG A 37 3.423 4.608 -9.354 1.00 2.34 H new ATOM 0 HH11 ARG A 37 5.445 2.202 -7.734 1.00 3.45 H new ATOM 0 HH12 ARG A 37 6.922 2.735 -8.546 1.00 3.45 H new ATOM 0 HH21 ARG A 37 5.322 5.283 -10.377 1.00 4.43 H new ATOM 0 HH22 ARG A 37 6.852 4.468 -10.033 1.00 4.43 H new ATOM 441 N CYS A 38 4.335 2.081 -3.999 1.00 0.23 N ATOM 442 CA CYS A 38 5.355 2.563 -3.084 1.00 0.20 C ATOM 443 C CYS A 38 6.180 3.660 -3.725 1.00 0.22 C ATOM 444 O CYS A 38 6.615 3.544 -4.873 1.00 0.27 O ATOM 445 CB CYS A 38 6.260 1.416 -2.639 1.00 0.22 C ATOM 446 SG CYS A 38 5.405 0.142 -1.658 1.00 0.24 S ATOM 0 H CYS A 38 4.568 1.209 -4.474 1.00 0.23 H new ATOM 0 HA CYS A 38 4.855 2.976 -2.208 1.00 0.20 H new ATOM 0 HB2 CYS A 38 6.698 0.949 -3.521 1.00 0.22 H new ATOM 0 HB3 CYS A 38 7.083 1.822 -2.051 1.00 0.22 H new ATOM 451 N ASN A 39 6.376 4.731 -2.971 1.00 0.24 N ATOM 452 CA ASN A 39 7.187 5.853 -3.408 1.00 0.28 C ATOM 453 C ASN A 39 8.631 5.402 -3.568 1.00 0.28 C ATOM 454 O ASN A 39 9.096 4.548 -2.814 1.00 0.34 O ATOM 455 CB ASN A 39 7.090 6.986 -2.379 1.00 0.33 C ATOM 456 CG ASN A 39 5.703 7.600 -2.318 1.00 0.42 C ATOM 457 OD1 ASN A 39 5.022 7.737 -3.336 1.00 0.63 O ATOM 458 ND2 ASN A 39 5.262 7.953 -1.120 1.00 0.71 N ATOM 0 H ASN A 39 5.977 4.845 -2.039 1.00 0.24 H new ATOM 0 HA ASN A 39 6.824 6.219 -4.368 1.00 0.28 H new ATOM 0 HB2 ASN A 39 7.357 6.602 -1.395 1.00 0.33 H new ATOM 0 HB3 ASN A 39 7.816 7.760 -2.627 1.00 0.33 H new ATOM 0 HD21 ASN A 39 4.330 8.354 -1.017 1.00 0.71 H new ATOM 0 HD22 ASN A 39 5.855 7.824 -0.300 1.00 0.71 H new ATOM 465 N GLN A 40 9.309 5.953 -4.573 1.00 0.41 N ATOM 466 CA GLN A 40 10.709 5.630 -4.854 1.00 0.50 C ATOM 467 C GLN A 40 11.540 5.609 -3.574 1.00 0.52 C ATOM 468 O GLN A 40 11.767 6.642 -2.938 1.00 1.12 O ATOM 469 CB GLN A 40 11.304 6.621 -5.869 1.00 0.72 C ATOM 470 CG GLN A 40 11.053 8.088 -5.539 1.00 1.36 C ATOM 471 CD GLN A 40 9.635 8.535 -5.861 1.00 2.23 C ATOM 472 OE1 GLN A 40 9.015 8.048 -6.806 1.00 2.90 O ATOM 473 NE2 GLN A 40 9.099 9.439 -5.060 1.00 2.87 N ATOM 0 H GLN A 40 8.905 6.635 -5.215 1.00 0.41 H new ATOM 0 HA GLN A 40 10.738 4.631 -5.289 1.00 0.50 H new ATOM 0 HB2 GLN A 40 12.379 6.455 -5.933 1.00 0.72 H new ATOM 0 HB3 GLN A 40 10.889 6.407 -6.854 1.00 0.72 H new ATOM 0 HG2 GLN A 40 11.249 8.255 -4.480 1.00 1.36 H new ATOM 0 HG3 GLN A 40 11.758 8.706 -6.095 1.00 1.36 H new ATOM 0 HE21 GLN A 40 9.643 9.821 -4.286 1.00 2.87 H new ATOM 0 HE22 GLN A 40 8.142 9.755 -5.216 1.00 2.87 H new ATOM 482 N GLY A 41 11.975 4.417 -3.200 1.00 0.48 N ATOM 483 CA GLY A 41 12.675 4.228 -1.949 1.00 0.42 C ATOM 484 C GLY A 41 12.020 3.152 -1.116 1.00 0.33 C ATOM 485 O GLY A 41 12.630 2.586 -0.203 1.00 0.38 O ATOM 0 H GLY A 41 11.853 3.566 -3.749 1.00 0.48 H new ATOM 0 HA2 GLY A 41 13.712 3.958 -2.147 1.00 0.42 H new ATOM 0 HA3 GLY A 41 12.690 5.165 -1.392 1.00 0.42 H new ATOM 489 N TYR A 42 10.762 2.889 -1.427 1.00 0.25 N ATOM 490 CA TYR A 42 10.016 1.806 -0.817 1.00 0.21 C ATOM 491 C TYR A 42 9.712 0.740 -1.862 1.00 0.22 C ATOM 492 O TYR A 42 9.801 0.997 -3.064 1.00 0.26 O ATOM 493 CB TYR A 42 8.722 2.332 -0.191 1.00 0.19 C ATOM 494 CG TYR A 42 8.944 3.155 1.056 1.00 0.24 C ATOM 495 CD1 TYR A 42 9.015 2.542 2.298 1.00 0.30 C ATOM 496 CD2 TYR A 42 9.082 4.538 0.995 1.00 0.34 C ATOM 497 CE1 TYR A 42 9.215 3.278 3.447 1.00 0.39 C ATOM 498 CE2 TYR A 42 9.285 5.283 2.143 1.00 0.42 C ATOM 499 CZ TYR A 42 9.352 4.646 3.366 1.00 0.43 C ATOM 500 OH TYR A 42 9.557 5.377 4.513 1.00 0.54 O ATOM 0 H TYR A 42 10.229 3.424 -2.113 1.00 0.25 H new ATOM 0 HA TYR A 42 10.618 1.362 -0.024 1.00 0.21 H new ATOM 0 HB2 TYR A 42 8.193 2.938 -0.926 1.00 0.19 H new ATOM 0 HB3 TYR A 42 8.076 1.488 0.051 1.00 0.19 H new ATOM 0 HD1 TYR A 42 8.912 1.469 2.367 1.00 0.30 H new ATOM 0 HD2 TYR A 42 9.030 5.037 0.039 1.00 0.34 H new ATOM 0 HE1 TYR A 42 9.264 2.784 4.406 1.00 0.39 H new ATOM 0 HE2 TYR A 42 9.390 6.356 2.083 1.00 0.42 H new ATOM 0 HH TYR A 42 9.634 6.327 4.286 1.00 0.54 H new ATOM 510 N ARG A 43 9.365 -0.449 -1.407 1.00 0.24 N ATOM 511 CA ARG A 43 9.129 -1.575 -2.297 1.00 0.31 C ATOM 512 C ARG A 43 7.942 -2.403 -1.822 1.00 0.24 C ATOM 513 O ARG A 43 7.577 -2.372 -0.644 1.00 0.21 O ATOM 514 CB ARG A 43 10.381 -2.448 -2.386 1.00 0.49 C ATOM 515 CG ARG A 43 10.955 -2.837 -1.035 1.00 0.57 C ATOM 516 CD ARG A 43 12.170 -3.730 -1.194 1.00 0.83 C ATOM 517 NE ARG A 43 12.875 -3.931 0.075 1.00 1.68 N ATOM 518 CZ ARG A 43 13.893 -4.777 0.235 1.00 2.22 C ATOM 519 NH1 ARG A 43 14.346 -5.473 -0.800 1.00 2.20 N ATOM 520 NH2 ARG A 43 14.474 -4.906 1.424 1.00 3.05 N ATOM 0 H ARG A 43 9.239 -0.663 -0.418 1.00 0.24 H new ATOM 0 HA ARG A 43 8.898 -1.185 -3.288 1.00 0.31 H new ATOM 0 HB2 ARG A 43 10.142 -3.354 -2.943 1.00 0.49 H new ATOM 0 HB3 ARG A 43 11.144 -1.916 -2.955 1.00 0.49 H new ATOM 0 HG2 ARG A 43 11.230 -1.939 -0.481 1.00 0.57 H new ATOM 0 HG3 ARG A 43 10.195 -3.353 -0.449 1.00 0.57 H new ATOM 0 HD2 ARG A 43 11.860 -4.696 -1.593 1.00 0.83 H new ATOM 0 HD3 ARG A 43 12.852 -3.288 -1.921 1.00 0.83 H new ATOM 0 HE ARG A 43 12.568 -3.391 0.884 1.00 1.68 H new ATOM 0 HH11 ARG A 43 13.915 -5.361 -1.718 1.00 2.20 H new ATOM 0 HH12 ARG A 43 15.125 -6.120 -0.678 1.00 2.20 H new ATOM 0 HH21 ARG A 43 14.141 -4.357 2.217 1.00 3.05 H new ATOM 0 HH22 ARG A 43 15.253 -5.554 1.544 1.00 3.05 H new ATOM 534 N ILE A 44 7.351 -3.136 -2.752 1.00 0.29 N ATOM 535 CA ILE A 44 6.183 -3.954 -2.469 1.00 0.27 C ATOM 536 C ILE A 44 6.580 -5.286 -1.855 1.00 0.28 C ATOM 537 O ILE A 44 7.422 -6.009 -2.392 1.00 0.33 O ATOM 538 CB ILE A 44 5.348 -4.206 -3.749 1.00 0.32 C ATOM 539 CG1 ILE A 44 4.646 -2.919 -4.179 1.00 0.33 C ATOM 540 CG2 ILE A 44 4.329 -5.318 -3.532 1.00 0.34 C ATOM 541 CD1 ILE A 44 3.738 -2.354 -3.113 1.00 0.28 C ATOM 0 H ILE A 44 7.666 -3.181 -3.721 1.00 0.29 H new ATOM 0 HA ILE A 44 5.574 -3.401 -1.754 1.00 0.27 H new ATOM 0 HB ILE A 44 6.027 -4.523 -4.541 1.00 0.32 H new ATOM 0 HG12 ILE A 44 5.396 -2.173 -4.441 1.00 0.33 H new ATOM 0 HG13 ILE A 44 4.062 -3.114 -5.079 1.00 0.33 H new ATOM 0 HG21 ILE A 44 3.758 -5.472 -4.448 1.00 0.34 H new ATOM 0 HG22 ILE A 44 4.847 -6.240 -3.268 1.00 0.34 H new ATOM 0 HG23 ILE A 44 3.652 -5.039 -2.725 1.00 0.34 H new ATOM 0 HD11 ILE A 44 3.270 -1.441 -3.480 1.00 0.28 H new ATOM 0 HD12 ILE A 44 2.967 -3.084 -2.868 1.00 0.28 H new ATOM 0 HD13 ILE A 44 4.321 -2.129 -2.220 1.00 0.28 H new ATOM 553 N SER A 45 5.966 -5.602 -0.734 1.00 0.28 N ATOM 554 CA SER A 45 6.192 -6.866 -0.073 1.00 0.33 C ATOM 555 C SER A 45 4.848 -7.516 0.232 1.00 0.32 C ATOM 556 O SER A 45 3.843 -6.825 0.400 1.00 0.31 O ATOM 557 CB SER A 45 7.010 -6.656 1.207 1.00 0.39 C ATOM 558 OG SER A 45 7.317 -7.891 1.836 1.00 0.49 O ATOM 0 H SER A 45 5.300 -4.992 -0.259 1.00 0.28 H new ATOM 0 HA SER A 45 6.763 -7.527 -0.725 1.00 0.33 H new ATOM 0 HB2 SER A 45 7.934 -6.129 0.968 1.00 0.39 H new ATOM 0 HB3 SER A 45 6.452 -6.024 1.897 1.00 0.39 H new ATOM 0 HG SER A 45 7.840 -7.724 2.648 1.00 0.49 H new ATOM 564 N LEU A 46 4.815 -8.836 0.262 1.00 0.45 N ATOM 565 CA LEU A 46 3.590 -9.550 0.569 1.00 0.48 C ATOM 566 C LEU A 46 3.773 -10.310 1.868 1.00 0.62 C ATOM 567 O LEU A 46 4.703 -11.108 2.003 1.00 0.88 O ATOM 568 CB LEU A 46 3.224 -10.522 -0.558 1.00 0.66 C ATOM 569 CG LEU A 46 3.142 -9.912 -1.961 1.00 0.71 C ATOM 570 CD1 LEU A 46 2.836 -10.987 -2.989 1.00 0.95 C ATOM 571 CD2 LEU A 46 2.089 -8.819 -2.013 1.00 0.66 C ATOM 0 H LEU A 46 5.621 -9.434 0.078 1.00 0.45 H new ATOM 0 HA LEU A 46 2.778 -8.830 0.670 1.00 0.48 H new ATOM 0 HB2 LEU A 46 3.961 -11.325 -0.574 1.00 0.66 H new ATOM 0 HB3 LEU A 46 2.262 -10.977 -0.323 1.00 0.66 H new ATOM 0 HG LEU A 46 4.109 -9.468 -2.196 1.00 0.71 H new ATOM 0 HD11 LEU A 46 2.781 -10.537 -3.980 1.00 0.95 H new ATOM 0 HD12 LEU A 46 3.625 -11.739 -2.975 1.00 0.95 H new ATOM 0 HD13 LEU A 46 1.882 -11.457 -2.751 1.00 0.95 H new ATOM 0 HD21 LEU A 46 2.048 -8.400 -3.019 1.00 0.66 H new ATOM 0 HD22 LEU A 46 1.116 -9.238 -1.755 1.00 0.66 H new ATOM 0 HD23 LEU A 46 2.345 -8.033 -1.303 1.00 0.66 H new ATOM 583 N ASP A 47 2.891 -10.054 2.819 1.00 0.57 N ATOM 584 CA ASP A 47 2.996 -10.644 4.147 1.00 0.81 C ATOM 585 C ASP A 47 2.533 -12.098 4.171 1.00 0.98 C ATOM 586 O ASP A 47 1.636 -12.462 4.929 1.00 1.62 O ATOM 587 CB ASP A 47 2.204 -9.815 5.150 1.00 0.94 C ATOM 588 CG ASP A 47 2.994 -8.639 5.687 1.00 1.86 C ATOM 589 OD1 ASP A 47 3.329 -7.737 4.890 1.00 2.52 O ATOM 590 OD2 ASP A 47 3.282 -8.608 6.903 1.00 2.20 O ATOM 0 H ASP A 47 2.088 -9.437 2.697 1.00 0.57 H new ATOM 0 HA ASP A 47 4.050 -10.640 4.426 1.00 0.81 H new ATOM 0 HB2 ASP A 47 1.293 -9.450 4.675 1.00 0.94 H new ATOM 0 HB3 ASP A 47 1.897 -10.451 5.980 1.00 0.94 H new ATOM 595 N GLY A 48 3.149 -12.924 3.333 1.00 1.00 N ATOM 596 CA GLY A 48 2.875 -14.351 3.338 1.00 1.17 C ATOM 597 C GLY A 48 1.588 -14.717 2.625 1.00 1.17 C ATOM 598 O GLY A 48 1.597 -15.506 1.682 1.00 1.42 O ATOM 0 H GLY A 48 3.840 -12.628 2.644 1.00 1.00 H new ATOM 0 HA2 GLY A 48 3.706 -14.875 2.865 1.00 1.17 H new ATOM 0 HA3 GLY A 48 2.823 -14.700 4.369 1.00 1.17 H new ATOM 602 N THR A 49 0.486 -14.133 3.069 1.00 0.98 N ATOM 603 CA THR A 49 -0.831 -14.440 2.533 1.00 1.04 C ATOM 604 C THR A 49 -1.090 -13.736 1.203 1.00 0.95 C ATOM 605 O THR A 49 -2.204 -13.767 0.678 1.00 1.19 O ATOM 606 CB THR A 49 -1.913 -14.032 3.540 1.00 1.07 C ATOM 607 OG1 THR A 49 -1.554 -12.781 4.144 1.00 0.94 O ATOM 608 CG2 THR A 49 -2.085 -15.094 4.614 1.00 1.27 C ATOM 0 H THR A 49 0.479 -13.433 3.811 1.00 0.98 H new ATOM 0 HA THR A 49 -0.866 -15.515 2.356 1.00 1.04 H new ATOM 0 HB THR A 49 -2.860 -13.928 3.011 1.00 1.07 H new ATOM 0 HG1 THR A 49 -2.327 -12.178 4.132 1.00 0.94 H new ATOM 0 HG21 THR A 49 -2.858 -14.780 5.315 1.00 1.27 H new ATOM 0 HG22 THR A 49 -2.377 -16.036 4.150 1.00 1.27 H new ATOM 0 HG23 THR A 49 -1.144 -15.228 5.147 1.00 1.27 H new ATOM 616 N GLY A 50 -0.059 -13.098 0.666 1.00 0.79 N ATOM 617 CA GLY A 50 -0.191 -12.395 -0.594 1.00 0.74 C ATOM 618 C GLY A 50 -0.815 -11.025 -0.432 1.00 0.63 C ATOM 619 O GLY A 50 -1.191 -10.384 -1.416 1.00 0.70 O ATOM 0 H GLY A 50 0.871 -13.055 1.083 1.00 0.79 H new ATOM 0 HA2 GLY A 50 0.792 -12.291 -1.053 1.00 0.74 H new ATOM 0 HA3 GLY A 50 -0.799 -12.989 -1.276 1.00 0.74 H new ATOM 623 N ASN A 51 -0.942 -10.576 0.812 1.00 0.55 N ATOM 624 CA ASN A 51 -1.458 -9.242 1.086 1.00 0.50 C ATOM 625 C ASN A 51 -0.409 -8.215 0.703 1.00 0.39 C ATOM 626 O ASN A 51 0.749 -8.316 1.118 1.00 0.34 O ATOM 627 CB ASN A 51 -1.843 -9.081 2.564 1.00 0.59 C ATOM 628 CG ASN A 51 -2.934 -10.042 3.027 1.00 0.89 C ATOM 629 OD1 ASN A 51 -2.978 -10.418 4.197 1.00 1.50 O ATOM 630 ND2 ASN A 51 -3.816 -10.462 2.130 1.00 1.34 N ATOM 0 H ASN A 51 -0.696 -11.114 1.643 1.00 0.55 H new ATOM 0 HA ASN A 51 -2.360 -9.090 0.494 1.00 0.50 H new ATOM 0 HB2 ASN A 51 -0.956 -9.231 3.179 1.00 0.59 H new ATOM 0 HB3 ASN A 51 -2.178 -8.058 2.733 1.00 0.59 H new ATOM 0 HD21 ASN A 51 -4.553 -11.112 2.405 1.00 1.34 H new ATOM 0 HD22 ASN A 51 -3.758 -10.135 1.166 1.00 1.34 H new ATOM 637 N VAL A 52 -0.814 -7.242 -0.099 1.00 0.39 N ATOM 638 CA VAL A 52 0.110 -6.260 -0.641 1.00 0.34 C ATOM 639 C VAL A 52 0.420 -5.189 0.392 1.00 0.30 C ATOM 640 O VAL A 52 -0.448 -4.400 0.764 1.00 0.33 O ATOM 641 CB VAL A 52 -0.455 -5.590 -1.914 1.00 0.41 C ATOM 642 CG1 VAL A 52 0.584 -4.676 -2.551 1.00 0.39 C ATOM 643 CG2 VAL A 52 -0.937 -6.637 -2.909 1.00 0.50 C ATOM 0 H VAL A 52 -1.783 -7.112 -0.390 1.00 0.39 H new ATOM 0 HA VAL A 52 1.025 -6.791 -0.904 1.00 0.34 H new ATOM 0 HB VAL A 52 -1.311 -4.980 -1.624 1.00 0.41 H new ATOM 0 HG11 VAL A 52 0.164 -4.215 -3.445 1.00 0.39 H new ATOM 0 HG12 VAL A 52 0.868 -3.899 -1.842 1.00 0.39 H new ATOM 0 HG13 VAL A 52 1.464 -5.259 -2.822 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -1.330 -6.142 -3.797 1.00 0.50 H new ATOM 0 HG22 VAL A 52 -0.104 -7.281 -3.192 1.00 0.50 H new ATOM 0 HG23 VAL A 52 -1.722 -7.239 -2.452 1.00 0.50 H new ATOM 653 N THR A 53 1.652 -5.181 0.868 1.00 0.25 N ATOM 654 CA THR A 53 2.092 -4.182 1.815 1.00 0.23 C ATOM 655 C THR A 53 3.292 -3.437 1.250 1.00 0.21 C ATOM 656 O THR A 53 3.770 -3.752 0.158 1.00 0.23 O ATOM 657 CB THR A 53 2.453 -4.816 3.180 1.00 0.23 C ATOM 658 OG1 THR A 53 3.572 -5.701 3.045 1.00 1.05 O ATOM 659 CG2 THR A 53 1.276 -5.591 3.744 1.00 1.02 C ATOM 0 H THR A 53 2.367 -5.861 0.610 1.00 0.25 H new ATOM 0 HA THR A 53 1.272 -3.483 1.980 1.00 0.23 H new ATOM 0 HB THR A 53 2.710 -4.005 3.862 1.00 0.23 H new ATOM 0 HG1 THR A 53 3.455 -6.469 3.642 1.00 1.05 H new ATOM 0 HG21 THR A 53 1.554 -6.027 4.703 1.00 1.02 H new ATOM 0 HG22 THR A 53 0.430 -4.918 3.883 1.00 1.02 H new ATOM 0 HG23 THR A 53 0.998 -6.385 3.051 1.00 1.02 H new ATOM 667 N CYS A 54 3.782 -2.459 1.983 1.00 0.24 N ATOM 668 CA CYS A 54 4.878 -1.646 1.500 1.00 0.21 C ATOM 669 C CYS A 54 5.977 -1.579 2.546 1.00 0.24 C ATOM 670 O CYS A 54 5.721 -1.286 3.717 1.00 0.29 O ATOM 671 CB CYS A 54 4.373 -0.244 1.158 1.00 0.22 C ATOM 672 SG CYS A 54 5.575 0.790 0.260 1.00 0.19 S ATOM 0 H CYS A 54 3.441 -2.209 2.911 1.00 0.24 H new ATOM 0 HA CYS A 54 5.289 -2.098 0.597 1.00 0.21 H new ATOM 0 HB2 CYS A 54 3.468 -0.333 0.557 1.00 0.22 H new ATOM 0 HB3 CYS A 54 4.093 0.264 2.081 1.00 0.22 H new ATOM 677 N ILE A 55 7.199 -1.851 2.123 1.00 0.24 N ATOM 678 CA ILE A 55 8.341 -1.832 3.020 1.00 0.30 C ATOM 679 C ILE A 55 9.479 -1.030 2.410 1.00 0.28 C ATOM 680 O ILE A 55 9.472 -0.739 1.216 1.00 0.28 O ATOM 681 CB ILE A 55 8.844 -3.253 3.359 1.00 0.37 C ATOM 682 CG1 ILE A 55 9.181 -4.038 2.092 1.00 0.37 C ATOM 683 CG2 ILE A 55 7.807 -4.003 4.181 1.00 0.43 C ATOM 684 CD1 ILE A 55 10.024 -5.264 2.357 1.00 0.47 C ATOM 0 H ILE A 55 7.427 -2.089 1.158 1.00 0.24 H new ATOM 0 HA ILE A 55 8.008 -1.363 3.946 1.00 0.30 H new ATOM 0 HB ILE A 55 9.756 -3.152 3.948 1.00 0.37 H new ATOM 0 HG12 ILE A 55 8.255 -4.341 1.603 1.00 0.37 H new ATOM 0 HG13 ILE A 55 9.710 -3.385 1.398 1.00 0.37 H new ATOM 0 HG21 ILE A 55 8.178 -5.002 4.411 1.00 0.43 H new ATOM 0 HG22 ILE A 55 7.619 -3.463 5.109 1.00 0.43 H new ATOM 0 HG23 ILE A 55 6.880 -4.082 3.613 1.00 0.43 H new ATOM 0 HD11 ILE A 55 10.228 -5.776 1.416 1.00 0.47 H new ATOM 0 HD12 ILE A 55 10.965 -4.966 2.819 1.00 0.47 H new ATOM 0 HD13 ILE A 55 9.488 -5.936 3.027 1.00 0.47 H new ATOM 696 N VAL A 56 10.453 -0.672 3.232 1.00 0.37 N ATOM 697 CA VAL A 56 11.582 0.122 2.778 1.00 0.41 C ATOM 698 C VAL A 56 12.478 -0.689 1.841 1.00 0.44 C ATOM 699 O VAL A 56 12.715 -1.880 2.054 1.00 0.58 O ATOM 700 CB VAL A 56 12.407 0.652 3.975 1.00 0.57 C ATOM 701 CG1 VAL A 56 13.025 -0.489 4.772 1.00 0.74 C ATOM 702 CG2 VAL A 56 13.479 1.626 3.503 1.00 0.57 C ATOM 0 H VAL A 56 10.483 -0.920 4.221 1.00 0.37 H new ATOM 0 HA VAL A 56 11.185 0.975 2.228 1.00 0.41 H new ATOM 0 HB VAL A 56 11.726 1.187 4.637 1.00 0.57 H new ATOM 0 HG11 VAL A 56 13.598 -0.082 5.605 1.00 0.74 H new ATOM 0 HG12 VAL A 56 12.235 -1.135 5.155 1.00 0.74 H new ATOM 0 HG13 VAL A 56 13.685 -1.068 4.126 1.00 0.74 H new ATOM 0 HG21 VAL A 56 14.047 1.986 4.361 1.00 0.57 H new ATOM 0 HG22 VAL A 56 14.151 1.120 2.810 1.00 0.57 H new ATOM 0 HG23 VAL A 56 13.007 2.470 3.000 1.00 0.57 H new ATOM 712 N ARG A 57 12.936 -0.043 0.775 1.00 0.41 N ATOM 713 CA ARG A 57 13.869 -0.663 -0.154 1.00 0.52 C ATOM 714 C ARG A 57 15.286 -0.483 0.370 1.00 0.70 C ATOM 715 O ARG A 57 16.030 -1.449 0.519 1.00 1.66 O ATOM 716 CB ARG A 57 13.736 -0.031 -1.541 1.00 0.77 C ATOM 717 CG ARG A 57 14.379 -0.841 -2.655 1.00 1.01 C ATOM 718 CD ARG A 57 14.623 0.019 -3.883 1.00 2.08 C ATOM 719 NE ARG A 57 15.736 0.942 -3.670 1.00 2.80 N ATOM 720 CZ ARG A 57 15.692 2.254 -3.890 1.00 3.80 C ATOM 721 NH1 ARG A 57 14.575 2.835 -4.316 1.00 4.23 N ATOM 722 NH2 ARG A 57 16.774 2.984 -3.672 1.00 4.70 N ATOM 0 H ARG A 57 12.675 0.913 0.533 1.00 0.41 H new ATOM 0 HA ARG A 57 13.643 -1.726 -0.239 1.00 0.52 H new ATOM 0 HB2 ARG A 57 12.678 0.103 -1.768 1.00 0.77 H new ATOM 0 HB3 ARG A 57 14.186 0.961 -1.521 1.00 0.77 H new ATOM 0 HG2 ARG A 57 15.323 -1.260 -2.307 1.00 1.01 H new ATOM 0 HG3 ARG A 57 13.735 -1.681 -2.917 1.00 1.01 H new ATOM 0 HD2 ARG A 57 14.836 -0.619 -4.741 1.00 2.08 H new ATOM 0 HD3 ARG A 57 13.721 0.582 -4.121 1.00 2.08 H new ATOM 0 HE ARG A 57 16.613 0.551 -3.327 1.00 2.80 H new ATOM 0 HH11 ARG A 57 13.738 2.274 -4.478 1.00 4.23 H new ATOM 0 HH12 ARG A 57 14.554 3.841 -4.481 1.00 4.23 H new ATOM 0 HH21 ARG A 57 17.630 2.540 -3.339 1.00 4.70 H new ATOM 0 HH22 ARG A 57 16.752 3.990 -3.837 1.00 4.70 H new ATOM 736 N GLN A 58 15.639 0.772 0.646 1.00 0.89 N ATOM 737 CA GLN A 58 16.902 1.111 1.292 1.00 1.06 C ATOM 738 C GLN A 58 16.992 2.617 1.523 1.00 1.84 C ATOM 739 O GLN A 58 17.453 3.362 0.657 1.00 2.61 O ATOM 740 CB GLN A 58 18.104 0.640 0.468 1.00 1.42 C ATOM 741 CG GLN A 58 19.435 0.870 1.165 1.00 1.86 C ATOM 742 CD GLN A 58 20.611 0.351 0.364 1.00 2.44 C ATOM 743 OE1 GLN A 58 20.488 -0.619 -0.386 1.00 3.32 O ATOM 744 NE2 GLN A 58 21.758 0.987 0.523 1.00 2.56 N ATOM 0 H GLN A 58 15.056 1.580 0.427 1.00 0.89 H new ATOM 0 HA GLN A 58 16.928 0.594 2.251 1.00 1.06 H new ATOM 0 HB2 GLN A 58 17.994 -0.422 0.251 1.00 1.42 H new ATOM 0 HB3 GLN A 58 18.107 1.162 -0.489 1.00 1.42 H new ATOM 0 HG2 GLN A 58 19.566 1.937 1.346 1.00 1.86 H new ATOM 0 HG3 GLN A 58 19.420 0.381 2.139 1.00 1.86 H new ATOM 0 HE21 GLN A 58 21.815 1.786 1.155 1.00 2.56 H new ATOM 0 HE22 GLN A 58 22.587 0.679 0.014 1.00 2.56 H new ATOM 753 N GLU A 59 16.503 3.050 2.684 1.00 2.35 N ATOM 754 CA GLU A 59 16.636 4.438 3.142 1.00 3.39 C ATOM 755 C GLU A 59 15.987 5.450 2.196 1.00 3.51 C ATOM 756 O GLU A 59 16.357 6.625 2.197 1.00 3.94 O ATOM 757 CB GLU A 59 18.112 4.781 3.346 1.00 4.20 C ATOM 758 CG GLU A 59 18.800 3.884 4.358 1.00 4.78 C ATOM 759 CD GLU A 59 18.019 3.770 5.649 1.00 5.50 C ATOM 760 OE1 GLU A 59 18.145 4.670 6.504 1.00 5.99 O ATOM 761 OE2 GLU A 59 17.271 2.785 5.810 1.00 5.82 O ATOM 0 H GLU A 59 16.001 2.449 3.338 1.00 2.35 H new ATOM 0 HA GLU A 59 16.101 4.509 4.089 1.00 3.39 H new ATOM 0 HB2 GLU A 59 18.631 4.705 2.391 1.00 4.20 H new ATOM 0 HB3 GLU A 59 18.196 5.817 3.673 1.00 4.20 H new ATOM 0 HG2 GLU A 59 18.934 2.891 3.928 1.00 4.78 H new ATOM 0 HG3 GLU A 59 19.794 4.276 4.571 1.00 4.78 H new ATOM 768 N SER A 60 15.015 4.989 1.408 1.00 3.52 N ATOM 769 CA SER A 60 14.281 5.842 0.469 1.00 3.65 C ATOM 770 C SER A 60 15.177 6.310 -0.684 1.00 3.70 C ATOM 771 O SER A 60 16.405 6.265 -0.598 1.00 4.27 O ATOM 772 CB SER A 60 13.661 7.047 1.194 1.00 4.18 C ATOM 773 OG SER A 60 12.806 7.786 0.336 1.00 4.66 O ATOM 0 H SER A 60 14.714 4.015 1.402 1.00 3.52 H new ATOM 0 HA SER A 60 13.476 5.243 0.043 1.00 3.65 H new ATOM 0 HB2 SER A 60 13.098 6.701 2.061 1.00 4.18 H new ATOM 0 HB3 SER A 60 14.453 7.696 1.567 1.00 4.18 H new ATOM 0 HG SER A 60 12.426 8.544 0.827 1.00 4.66 H new ATOM 779 N GLY A 61 14.544 6.745 -1.767 1.00 3.38 N ATOM 780 CA GLY A 61 15.271 7.192 -2.936 1.00 3.73 C ATOM 781 C GLY A 61 15.739 6.031 -3.783 1.00 4.13 C ATOM 782 O GLY A 61 16.903 5.610 -3.633 1.00 4.74 O ATOM 783 OXT GLY A 61 14.935 5.503 -4.579 1.00 4.29 O ATOM 0 H GLY A 61 13.529 6.795 -1.854 1.00 3.38 H new ATOM 0 HA2 GLY A 61 14.634 7.844 -3.533 1.00 3.73 H new ATOM 0 HA3 GLY A 61 16.131 7.785 -2.625 1.00 3.73 H new TER 787 GLY A 61