USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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+ -124:sc= 0.0675 (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 43:sc= 0.676 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.139 (180deg=-0.708) USER MOD Single : A 10 MET CE :methyl -148:sc= -0.0334 (180deg=-0.582) USER MOD Single : A 11 GLN : amide:sc= -0.876 X(o=-0.88,f=-1.1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.65! C(o=-3.6!,f=-5.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 28 GLN : amide:sc= -0.934 K(o=-0.93,f=-1.9) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= 0.365 (180deg=0.00888) USER MOD Single : A 37 HIS : no HD1:sc= -1.14 K(o=-1.1,f=0.14) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0037 (180deg=-0.126) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.15 K(o=-2.1,f=-15!) USER MOD Single : A 51 SER OG : rot 180:sc=0.000809 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -6.92! C(o=-6.9!,f=-13!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.034 13.340 12.075 1.00 0.00 N ATOM 2 CA GLY A 1 21.668 13.501 11.612 1.00 0.00 C ATOM 3 C GLY A 1 20.650 13.194 12.692 1.00 0.00 C ATOM 4 O GLY A 1 20.988 13.135 13.875 1.00 0.00 O ATOM 0 H1 GLY A 1 23.558 14.225 11.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.032 13.108 13.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.492 12.572 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.524 14.523 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.497 12.845 10.759 1.00 0.00 H new ATOM 8 N SER A 2 19.399 12.999 12.287 1.00 0.00 N ATOM 9 CA SER A 2 18.327 12.702 13.229 1.00 0.00 C ATOM 10 C SER A 2 17.645 11.384 12.878 1.00 0.00 C ATOM 11 O SER A 2 17.923 10.786 11.839 1.00 0.00 O ATOM 12 CB SER A 2 17.299 13.835 13.239 1.00 0.00 C ATOM 13 OG SER A 2 16.802 14.084 11.935 1.00 0.00 O ATOM 0 H SER A 2 19.103 13.041 11.312 1.00 0.00 H new ATOM 0 HA SER A 2 18.765 12.611 14.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.474 13.576 13.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.756 14.741 13.637 1.00 0.00 H new ATOM 0 HG SER A 2 16.146 14.811 11.968 1.00 0.00 H new ATOM 19 N SER A 3 16.750 10.936 13.753 1.00 0.00 N ATOM 20 CA SER A 3 16.029 9.687 13.539 1.00 0.00 C ATOM 21 C SER A 3 14.736 9.931 12.767 1.00 0.00 C ATOM 22 O SER A 3 13.781 10.497 13.297 1.00 0.00 O ATOM 23 CB SER A 3 15.719 9.016 14.878 1.00 0.00 C ATOM 24 OG SER A 3 15.443 7.637 14.706 1.00 0.00 O ATOM 0 H SER A 3 16.507 11.420 14.617 1.00 0.00 H new ATOM 0 HA SER A 3 16.664 9.026 12.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.565 9.139 15.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.864 9.506 15.344 1.00 0.00 H new ATOM 0 HG SER A 3 15.250 7.231 15.577 1.00 0.00 H new ATOM 30 N GLY A 4 14.714 9.499 11.510 1.00 0.00 N ATOM 31 CA GLY A 4 13.534 9.679 10.685 1.00 0.00 C ATOM 32 C GLY A 4 12.947 8.362 10.215 1.00 0.00 C ATOM 33 O GLY A 4 12.563 8.224 9.054 1.00 0.00 O ATOM 0 H GLY A 4 15.492 9.028 11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.780 10.228 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.790 10.289 9.819 1.00 0.00 H new ATOM 37 N SER A 5 12.880 7.390 11.120 1.00 0.00 N ATOM 38 CA SER A 5 12.341 6.076 10.791 1.00 0.00 C ATOM 39 C SER A 5 10.871 6.174 10.395 1.00 0.00 C ATOM 40 O SER A 5 9.986 6.188 11.250 1.00 0.00 O ATOM 41 CB SER A 5 12.498 5.125 11.979 1.00 0.00 C ATOM 42 OG SER A 5 11.871 5.648 13.137 1.00 0.00 O ATOM 0 H SER A 5 13.192 7.488 12.086 1.00 0.00 H new ATOM 0 HA SER A 5 12.902 5.683 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.064 4.156 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.557 4.959 12.178 1.00 0.00 H new ATOM 0 HG SER A 5 10.998 6.022 12.896 1.00 0.00 H new ATOM 48 N SER A 6 10.620 6.243 9.092 1.00 0.00 N ATOM 49 CA SER A 6 9.258 6.344 8.580 1.00 0.00 C ATOM 50 C SER A 6 9.209 6.004 7.094 1.00 0.00 C ATOM 51 O SER A 6 10.229 6.027 6.406 1.00 0.00 O ATOM 52 CB SER A 6 8.707 7.753 8.811 1.00 0.00 C ATOM 53 OG SER A 6 7.292 7.742 8.882 1.00 0.00 O ATOM 0 H SER A 6 11.342 6.231 8.371 1.00 0.00 H new ATOM 0 HA SER A 6 8.640 5.626 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.117 8.160 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.029 8.410 8.003 1.00 0.00 H new ATOM 0 HG SER A 6 6.965 8.654 9.032 1.00 0.00 H new ATOM 59 N GLY A 7 8.013 5.688 6.605 1.00 0.00 N ATOM 60 CA GLY A 7 7.852 5.347 5.203 1.00 0.00 C ATOM 61 C GLY A 7 6.445 5.603 4.702 1.00 0.00 C ATOM 62 O GLY A 7 5.721 6.431 5.258 1.00 0.00 O ATOM 0 H GLY A 7 7.154 5.662 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.557 5.927 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.101 4.296 5.057 1.00 0.00 H new ATOM 66 N LEU A 8 6.055 4.894 3.649 1.00 0.00 N ATOM 67 CA LEU A 8 4.724 5.050 3.071 1.00 0.00 C ATOM 68 C LEU A 8 3.720 4.131 3.760 1.00 0.00 C ATOM 69 O LEU A 8 3.993 2.951 3.981 1.00 0.00 O ATOM 70 CB LEU A 8 4.760 4.754 1.571 1.00 0.00 C ATOM 71 CG LEU A 8 3.404 4.555 0.894 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.731 5.896 0.643 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.566 3.785 -0.409 1.00 0.00 C ATOM 0 H LEU A 8 6.641 4.205 3.177 1.00 0.00 H new ATOM 0 HA LEU A 8 4.407 6.082 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.276 5.574 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.358 3.857 1.412 1.00 0.00 H new ATOM 0 HG LEU A 8 2.769 3.972 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.767 5.735 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.580 6.411 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.363 6.505 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.591 3.653 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.219 4.341 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.005 2.809 -0.203 1.00 0.00 H new ATOM 85 N LYS A 9 2.557 4.678 4.094 1.00 0.00 N ATOM 86 CA LYS A 9 1.510 3.908 4.754 1.00 0.00 C ATOM 87 C LYS A 9 0.373 3.595 3.786 1.00 0.00 C ATOM 88 O LYS A 9 -0.044 4.451 3.006 1.00 0.00 O ATOM 89 CB LYS A 9 0.969 4.674 5.963 1.00 0.00 C ATOM 90 CG LYS A 9 1.790 4.477 7.225 1.00 0.00 C ATOM 91 CD LYS A 9 1.260 3.323 8.060 1.00 0.00 C ATOM 92 CE LYS A 9 1.915 2.006 7.671 1.00 0.00 C ATOM 93 NZ LYS A 9 1.776 0.980 8.741 1.00 0.00 N ATOM 0 H LYS A 9 2.315 5.653 3.918 1.00 0.00 H new ATOM 0 HA LYS A 9 1.944 2.968 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.935 5.737 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.057 4.358 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.830 4.287 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.775 5.392 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.442 3.523 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.180 3.245 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.464 1.634 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.972 2.173 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.546 0.285 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.824 1.441 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.861 0.496 8.641 1.00 0.00 H new ATOM 107 N MET A 10 -0.126 2.365 3.844 1.00 0.00 N ATOM 108 CA MET A 10 -1.218 1.942 2.974 1.00 0.00 C ATOM 109 C MET A 10 -2.056 0.857 3.642 1.00 0.00 C ATOM 110 O MET A 10 -1.537 0.041 4.404 1.00 0.00 O ATOM 111 CB MET A 10 -0.667 1.429 1.642 1.00 0.00 C ATOM 112 CG MET A 10 -0.197 2.536 0.712 1.00 0.00 C ATOM 113 SD MET A 10 -0.352 2.094 -1.029 1.00 0.00 S ATOM 114 CE MET A 10 -1.650 3.214 -1.548 1.00 0.00 C ATOM 0 H MET A 10 0.208 1.644 4.484 1.00 0.00 H new ATOM 0 HA MET A 10 -1.856 2.806 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.165 0.753 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.439 0.846 1.139 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.776 3.439 0.906 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.844 2.772 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.243 2.745 -2.333 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.292 3.446 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.206 4.134 -1.929 1.00 0.00 H new ATOM 124 N GLN A 11 -3.353 0.854 3.352 1.00 0.00 N ATOM 125 CA GLN A 11 -4.262 -0.131 3.926 1.00 0.00 C ATOM 126 C GLN A 11 -4.599 -1.218 2.911 1.00 0.00 C ATOM 127 O GLN A 11 -4.492 -1.008 1.702 1.00 0.00 O ATOM 128 CB GLN A 11 -5.544 0.548 4.409 1.00 0.00 C ATOM 129 CG GLN A 11 -6.400 1.103 3.282 1.00 0.00 C ATOM 130 CD GLN A 11 -7.674 1.756 3.783 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.275 1.303 4.758 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.092 2.826 3.118 1.00 0.00 N ATOM 0 H GLN A 11 -3.798 1.523 2.723 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.763 -0.596 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.132 -0.170 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.282 1.359 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.821 1.833 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.656 0.297 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.562 3.167 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.943 3.307 3.409 1.00 0.00 H new ATOM 141 N VAL A 12 -5.007 -2.381 3.409 1.00 0.00 N ATOM 142 CA VAL A 12 -5.361 -3.501 2.545 1.00 0.00 C ATOM 143 C VAL A 12 -6.775 -3.346 1.996 1.00 0.00 C ATOM 144 O VAL A 12 -7.757 -3.544 2.713 1.00 0.00 O ATOM 145 CB VAL A 12 -5.258 -4.842 3.295 1.00 0.00 C ATOM 146 CG1 VAL A 12 -5.717 -5.988 2.407 1.00 0.00 C ATOM 147 CG2 VAL A 12 -3.835 -5.072 3.782 1.00 0.00 C ATOM 0 H VAL A 12 -5.101 -2.572 4.407 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.651 -3.500 1.718 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.914 -4.803 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.637 -6.927 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.754 -5.827 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.090 -6.032 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.780 -6.024 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.157 -5.091 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.547 -4.266 4.457 1.00 0.00 H new ATOM 157 N LEU A 13 -6.872 -2.990 0.720 1.00 0.00 N ATOM 158 CA LEU A 13 -8.166 -2.809 0.072 1.00 0.00 C ATOM 159 C LEU A 13 -8.979 -4.099 0.108 1.00 0.00 C ATOM 160 O LEU A 13 -10.168 -4.087 0.426 1.00 0.00 O ATOM 161 CB LEU A 13 -7.975 -2.353 -1.375 1.00 0.00 C ATOM 162 CG LEU A 13 -9.079 -1.465 -1.951 1.00 0.00 C ATOM 163 CD1 LEU A 13 -8.869 -1.252 -3.442 1.00 0.00 C ATOM 164 CD2 LEU A 13 -10.447 -2.075 -1.684 1.00 0.00 C ATOM 0 H LEU A 13 -6.070 -2.821 0.113 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.714 -2.041 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.030 -1.814 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.883 -3.238 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.034 -0.494 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.664 -0.618 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.905 -0.771 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.887 -2.215 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.221 -1.430 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.504 -3.058 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.598 -2.174 -0.609 1.00 0.00 H new ATOM 176 N TYR A 14 -8.328 -5.211 -0.218 1.00 0.00 N ATOM 177 CA TYR A 14 -8.990 -6.510 -0.223 1.00 0.00 C ATOM 178 C TYR A 14 -8.125 -7.565 0.459 1.00 0.00 C ATOM 179 O TYR A 14 -6.899 -7.466 0.467 1.00 0.00 O ATOM 180 CB TYR A 14 -9.304 -6.940 -1.657 1.00 0.00 C ATOM 181 CG TYR A 14 -10.107 -5.921 -2.434 1.00 0.00 C ATOM 182 CD1 TYR A 14 -11.439 -5.676 -2.125 1.00 0.00 C ATOM 183 CD2 TYR A 14 -9.532 -5.203 -3.476 1.00 0.00 C ATOM 184 CE1 TYR A 14 -12.176 -4.746 -2.833 1.00 0.00 C ATOM 185 CE2 TYR A 14 -10.262 -4.271 -4.188 1.00 0.00 C ATOM 186 CZ TYR A 14 -11.583 -4.046 -3.863 1.00 0.00 C ATOM 187 OH TYR A 14 -12.314 -3.118 -4.569 1.00 0.00 O ATOM 0 H TYR A 14 -7.343 -5.238 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.923 -6.416 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.369 -7.130 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.853 -7.881 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.906 -6.221 -1.318 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.498 -5.377 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.211 -4.568 -2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.800 -3.721 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.749 -2.713 -5.260 1.00 0.00 H new ATOM 197 N GLU A 15 -8.775 -8.575 1.029 1.00 0.00 N ATOM 198 CA GLU A 15 -8.065 -9.649 1.714 1.00 0.00 C ATOM 199 C GLU A 15 -7.269 -10.494 0.724 1.00 0.00 C ATOM 200 O GLU A 15 -7.749 -10.811 -0.365 1.00 0.00 O ATOM 201 CB GLU A 15 -9.051 -10.534 2.480 1.00 0.00 C ATOM 202 CG GLU A 15 -8.401 -11.739 3.140 1.00 0.00 C ATOM 203 CD GLU A 15 -9.409 -12.798 3.542 1.00 0.00 C ATOM 204 OE1 GLU A 15 -10.561 -12.433 3.854 1.00 0.00 O ATOM 205 OE2 GLU A 15 -9.044 -13.993 3.543 1.00 0.00 O ATOM 0 H GLU A 15 -9.790 -8.672 1.030 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.369 -9.197 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.546 -9.935 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.825 -10.879 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.674 -12.176 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.851 -11.413 4.023 1.00 0.00 H new ATOM 212 N PHE A 16 -6.049 -10.854 1.109 1.00 0.00 N ATOM 213 CA PHE A 16 -5.185 -11.660 0.255 1.00 0.00 C ATOM 214 C PHE A 16 -4.577 -12.821 1.037 1.00 0.00 C ATOM 215 O PHE A 16 -4.180 -12.663 2.191 1.00 0.00 O ATOM 216 CB PHE A 16 -4.074 -10.796 -0.344 1.00 0.00 C ATOM 217 CG PHE A 16 -2.982 -11.592 -0.999 1.00 0.00 C ATOM 218 CD1 PHE A 16 -3.190 -12.200 -2.226 1.00 0.00 C ATOM 219 CD2 PHE A 16 -1.746 -11.733 -0.387 1.00 0.00 C ATOM 220 CE1 PHE A 16 -2.187 -12.934 -2.831 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.739 -12.465 -0.987 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.960 -13.066 -2.211 1.00 0.00 C ATOM 0 H PHE A 16 -5.637 -10.600 2.007 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.793 -12.068 -0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.508 -10.118 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.641 -10.179 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.147 -12.099 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.568 -11.265 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.363 -13.404 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.219 -12.567 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.175 -13.638 -2.682 1.00 0.00 H new ATOM 232 N GLU A 17 -4.508 -13.985 0.400 1.00 0.00 N ATOM 233 CA GLU A 17 -3.950 -15.172 1.037 1.00 0.00 C ATOM 234 C GLU A 17 -2.602 -15.537 0.421 1.00 0.00 C ATOM 235 O GLU A 17 -2.538 -16.240 -0.587 1.00 0.00 O ATOM 236 CB GLU A 17 -4.917 -16.350 0.907 1.00 0.00 C ATOM 237 CG GLU A 17 -4.575 -17.522 1.813 1.00 0.00 C ATOM 238 CD GLU A 17 -5.337 -18.781 1.451 1.00 0.00 C ATOM 239 OE1 GLU A 17 -6.541 -18.860 1.773 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.729 -19.688 0.844 1.00 0.00 O ATOM 0 H GLU A 17 -4.831 -14.132 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.800 -14.949 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.926 -16.008 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.923 -16.692 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.505 -17.720 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.794 -17.254 2.846 1.00 0.00 H new ATOM 247 N ALA A 18 -1.527 -15.053 1.036 1.00 0.00 N ATOM 248 CA ALA A 18 -0.181 -15.328 0.550 1.00 0.00 C ATOM 249 C ALA A 18 -0.017 -16.802 0.193 1.00 0.00 C ATOM 250 O ALA A 18 -0.674 -17.667 0.771 1.00 0.00 O ATOM 251 CB ALA A 18 0.850 -14.917 1.591 1.00 0.00 C ATOM 0 H ALA A 18 -1.563 -14.469 1.871 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.021 -14.742 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.851 -15.128 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.756 -13.850 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.682 -15.478 2.510 1.00 0.00 H new ATOM 257 N ARG A 19 0.864 -17.080 -0.763 1.00 0.00 N ATOM 258 CA ARG A 19 1.113 -18.449 -1.198 1.00 0.00 C ATOM 259 C ARG A 19 2.601 -18.778 -1.131 1.00 0.00 C ATOM 260 O ARG A 19 2.983 -19.913 -0.848 1.00 0.00 O ATOM 261 CB ARG A 19 0.597 -18.655 -2.623 1.00 0.00 C ATOM 262 CG ARG A 19 -0.804 -18.110 -2.849 1.00 0.00 C ATOM 263 CD ARG A 19 -1.007 -17.679 -4.293 1.00 0.00 C ATOM 264 NE ARG A 19 -2.407 -17.377 -4.582 1.00 0.00 N ATOM 265 CZ ARG A 19 -2.895 -17.265 -5.812 1.00 0.00 C ATOM 266 NH1 ARG A 19 -2.102 -17.428 -6.862 1.00 0.00 N ATOM 267 NH2 ARG A 19 -4.180 -16.988 -5.994 1.00 0.00 N ATOM 0 H ARG A 19 1.417 -16.375 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 19 0.580 -19.121 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.282 -18.174 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.604 -19.721 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.539 -18.872 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.977 -17.261 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.397 -16.800 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.662 -18.469 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.044 -17.245 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.114 -17.640 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.480 -17.341 -7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.793 -16.861 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.554 -16.902 -6.939 1.00 0.00 H new ATOM 281 N ASN A 20 3.436 -17.778 -1.394 1.00 0.00 N ATOM 282 CA ASN A 20 4.882 -17.962 -1.365 1.00 0.00 C ATOM 283 C ASN A 20 5.425 -17.786 0.050 1.00 0.00 C ATOM 284 O ASN A 20 4.833 -17.105 0.888 1.00 0.00 O ATOM 285 CB ASN A 20 5.562 -16.971 -2.311 1.00 0.00 C ATOM 286 CG ASN A 20 4.687 -16.608 -3.495 1.00 0.00 C ATOM 287 OD1 ASN A 20 3.703 -17.289 -3.785 1.00 0.00 O ATOM 288 ND2 ASN A 20 5.043 -15.531 -4.186 1.00 0.00 N ATOM 0 H ASN A 20 3.136 -16.832 -1.630 1.00 0.00 H new ATOM 0 HA ASN A 20 5.100 -18.978 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.818 -16.065 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.497 -17.400 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.493 -15.238 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.867 -14.997 -3.909 1.00 0.00 H new ATOM 295 N PRO A 21 6.578 -18.414 0.324 1.00 0.00 N ATOM 296 CA PRO A 21 7.226 -18.340 1.637 1.00 0.00 C ATOM 297 C PRO A 21 7.798 -16.956 1.925 1.00 0.00 C ATOM 298 O PRO A 21 8.142 -16.641 3.064 1.00 0.00 O ATOM 299 CB PRO A 21 8.352 -19.372 1.534 1.00 0.00 C ATOM 300 CG PRO A 21 8.648 -19.467 0.077 1.00 0.00 C ATOM 301 CD PRO A 21 7.338 -19.242 -0.626 1.00 0.00 C ATOM 0 HA PRO A 21 6.525 -18.532 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.231 -19.056 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.044 -20.336 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.384 -18.721 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.063 -20.443 -0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.476 -18.734 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.828 -20.182 -0.836 1.00 0.00 H new ATOM 309 N ARG A 22 7.895 -16.133 0.886 1.00 0.00 N ATOM 310 CA ARG A 22 8.426 -14.783 1.028 1.00 0.00 C ATOM 311 C ARG A 22 7.299 -13.754 1.035 1.00 0.00 C ATOM 312 O ARG A 22 7.546 -12.549 1.058 1.00 0.00 O ATOM 313 CB ARG A 22 9.405 -14.475 -0.107 1.00 0.00 C ATOM 314 CG ARG A 22 8.735 -14.312 -1.462 1.00 0.00 C ATOM 315 CD ARG A 22 9.628 -13.562 -2.438 1.00 0.00 C ATOM 316 NE ARG A 22 8.889 -13.097 -3.609 1.00 0.00 N ATOM 317 CZ ARG A 22 9.431 -12.366 -4.577 1.00 0.00 C ATOM 318 NH1 ARG A 22 10.709 -12.020 -4.515 1.00 0.00 N ATOM 319 NH2 ARG A 22 8.693 -11.981 -5.611 1.00 0.00 N ATOM 0 H ARG A 22 7.613 -16.378 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 22 8.954 -14.725 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.949 -13.561 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.140 -15.277 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.492 -15.293 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.794 -13.775 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.081 -12.709 -1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.442 -14.212 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 22 7.903 -13.347 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.279 -12.315 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.122 -11.459 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.709 -12.246 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.109 -11.420 -6.354 1.00 0.00 H new ATOM 333 N GLU A 23 6.061 -14.239 1.015 1.00 0.00 N ATOM 334 CA GLU A 23 4.897 -13.362 1.018 1.00 0.00 C ATOM 335 C GLU A 23 4.259 -13.309 2.403 1.00 0.00 C ATOM 336 O GLU A 23 4.561 -14.130 3.270 1.00 0.00 O ATOM 337 CB GLU A 23 3.869 -13.837 -0.011 1.00 0.00 C ATOM 338 CG GLU A 23 4.224 -13.467 -1.442 1.00 0.00 C ATOM 339 CD GLU A 23 3.051 -13.614 -2.391 1.00 0.00 C ATOM 340 OE1 GLU A 23 1.899 -13.440 -1.940 1.00 0.00 O ATOM 341 OE2 GLU A 23 3.284 -13.904 -3.583 1.00 0.00 O ATOM 0 H GLU A 23 5.839 -15.234 0.997 1.00 0.00 H new ATOM 0 HA GLU A 23 5.230 -12.359 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.769 -14.920 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.897 -13.410 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.581 -12.438 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.044 -14.098 -1.784 1.00 0.00 H new ATOM 348 N LEU A 24 3.376 -12.337 2.604 1.00 0.00 N ATOM 349 CA LEU A 24 2.694 -12.175 3.884 1.00 0.00 C ATOM 350 C LEU A 24 1.183 -12.101 3.690 1.00 0.00 C ATOM 351 O LEU A 24 0.689 -11.333 2.864 1.00 0.00 O ATOM 352 CB LEU A 24 3.192 -10.915 4.593 1.00 0.00 C ATOM 353 CG LEU A 24 2.571 -10.624 5.960 1.00 0.00 C ATOM 354 CD1 LEU A 24 3.367 -11.304 7.063 1.00 0.00 C ATOM 355 CD2 LEU A 24 2.493 -9.124 6.203 1.00 0.00 C ATOM 0 H LEU A 24 3.115 -11.649 1.897 1.00 0.00 H new ATOM 0 HA LEU A 24 2.920 -13.045 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.272 -10.995 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.008 -10.060 3.943 1.00 0.00 H new ATOM 0 HG LEU A 24 1.558 -11.026 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.911 -11.086 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.370 -12.381 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.392 -10.933 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.048 -8.936 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.496 -8.698 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.879 -8.662 5.430 1.00 0.00 H new ATOM 367 N THR A 25 0.453 -12.902 4.460 1.00 0.00 N ATOM 368 CA THR A 25 -1.002 -12.926 4.374 1.00 0.00 C ATOM 369 C THR A 25 -1.614 -11.724 5.084 1.00 0.00 C ATOM 370 O THR A 25 -1.345 -11.481 6.260 1.00 0.00 O ATOM 371 CB THR A 25 -1.579 -14.217 4.985 1.00 0.00 C ATOM 372 OG1 THR A 25 -1.012 -15.362 4.338 1.00 0.00 O ATOM 373 CG2 THR A 25 -3.094 -14.250 4.849 1.00 0.00 C ATOM 0 H THR A 25 0.846 -13.542 5.150 1.00 0.00 H new ATOM 0 HA THR A 25 -1.257 -12.888 3.315 1.00 0.00 H new ATOM 0 HB THR A 25 -1.324 -14.236 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.383 -16.178 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.479 -15.171 5.287 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.525 -13.394 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.366 -14.209 3.794 1.00 0.00 H new ATOM 381 N VAL A 26 -2.441 -10.974 4.361 1.00 0.00 N ATOM 382 CA VAL A 26 -3.094 -9.798 4.922 1.00 0.00 C ATOM 383 C VAL A 26 -4.608 -9.884 4.769 1.00 0.00 C ATOM 384 O VAL A 26 -5.126 -10.787 4.112 1.00 0.00 O ATOM 385 CB VAL A 26 -2.593 -8.505 4.252 1.00 0.00 C ATOM 386 CG1 VAL A 26 -1.082 -8.386 4.381 1.00 0.00 C ATOM 387 CG2 VAL A 26 -3.016 -8.464 2.791 1.00 0.00 C ATOM 0 H VAL A 26 -2.674 -11.161 3.386 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.841 -9.771 5.982 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.045 -7.654 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.747 -7.466 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.807 -8.366 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.607 -9.240 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.654 -7.544 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.594 -9.321 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.104 -8.498 2.726 1.00 0.00 H new ATOM 397 N VAL A 27 -5.314 -8.936 5.378 1.00 0.00 N ATOM 398 CA VAL A 27 -6.770 -8.903 5.308 1.00 0.00 C ATOM 399 C VAL A 27 -7.276 -7.487 5.057 1.00 0.00 C ATOM 400 O VAL A 27 -6.632 -6.511 5.440 1.00 0.00 O ATOM 401 CB VAL A 27 -7.406 -9.442 6.603 1.00 0.00 C ATOM 402 CG1 VAL A 27 -7.000 -10.889 6.836 1.00 0.00 C ATOM 403 CG2 VAL A 27 -7.018 -8.573 7.789 1.00 0.00 C ATOM 0 H VAL A 27 -4.901 -8.181 5.925 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.062 -9.543 4.475 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.490 -9.407 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.459 -11.252 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.334 -11.500 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.915 -10.953 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.476 -8.969 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.934 -8.573 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.365 -7.553 7.622 1.00 0.00 H new ATOM 413 N GLN A 28 -8.433 -7.384 4.412 1.00 0.00 N ATOM 414 CA GLN A 28 -9.026 -6.086 4.110 1.00 0.00 C ATOM 415 C GLN A 28 -9.216 -5.266 5.381 1.00 0.00 C ATOM 416 O GLN A 28 -9.694 -5.773 6.394 1.00 0.00 O ATOM 417 CB GLN A 28 -10.369 -6.268 3.400 1.00 0.00 C ATOM 418 CG GLN A 28 -11.116 -4.965 3.169 1.00 0.00 C ATOM 419 CD GLN A 28 -12.038 -4.609 4.318 1.00 0.00 C ATOM 420 OE1 GLN A 28 -12.663 -5.482 4.921 1.00 0.00 O ATOM 421 NE2 GLN A 28 -12.129 -3.321 4.628 1.00 0.00 N ATOM 0 H GLN A 28 -8.979 -8.183 4.088 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.345 -5.548 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.200 -6.755 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.995 -6.936 3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.397 -4.159 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.699 -5.043 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.593 -2.631 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.735 -3.022 5.392 1.00 0.00 H new ATOM 430 N GLY A 29 -8.837 -3.992 5.320 1.00 0.00 N ATOM 431 CA GLY A 29 -8.973 -3.122 6.473 1.00 0.00 C ATOM 432 C GLY A 29 -7.659 -2.908 7.196 1.00 0.00 C ATOM 433 O GLY A 29 -7.326 -1.785 7.574 1.00 0.00 O ATOM 0 H GLY A 29 -8.439 -3.548 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.369 -2.158 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.699 -3.551 7.164 1.00 0.00 H new ATOM 437 N GLU A 30 -6.910 -3.989 7.392 1.00 0.00 N ATOM 438 CA GLU A 30 -5.625 -3.914 8.078 1.00 0.00 C ATOM 439 C GLU A 30 -4.687 -2.940 7.371 1.00 0.00 C ATOM 440 O GLU A 30 -4.777 -2.741 6.159 1.00 0.00 O ATOM 441 CB GLU A 30 -4.979 -5.299 8.151 1.00 0.00 C ATOM 442 CG GLU A 30 -3.559 -5.281 8.691 1.00 0.00 C ATOM 443 CD GLU A 30 -2.982 -6.672 8.862 1.00 0.00 C ATOM 444 OE1 GLU A 30 -2.882 -7.401 7.853 1.00 0.00 O ATOM 445 OE2 GLU A 30 -2.631 -7.033 10.005 1.00 0.00 O ATOM 0 H GLU A 30 -7.171 -4.926 7.086 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.803 -3.550 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.591 -5.943 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.974 -5.741 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.924 -4.709 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.546 -4.766 9.652 1.00 0.00 H new ATOM 452 N LYS A 31 -3.787 -2.333 8.138 1.00 0.00 N ATOM 453 CA LYS A 31 -2.831 -1.380 7.587 1.00 0.00 C ATOM 454 C LYS A 31 -1.424 -1.968 7.571 1.00 0.00 C ATOM 455 O LYS A 31 -1.087 -2.822 8.393 1.00 0.00 O ATOM 456 CB LYS A 31 -2.844 -0.085 8.403 1.00 0.00 C ATOM 457 CG LYS A 31 -4.209 0.260 8.975 1.00 0.00 C ATOM 458 CD LYS A 31 -5.190 0.648 7.881 1.00 0.00 C ATOM 459 CE LYS A 31 -6.214 1.655 8.383 1.00 0.00 C ATOM 460 NZ LYS A 31 -7.420 0.986 8.944 1.00 0.00 N ATOM 0 H LYS A 31 -3.700 -2.484 9.143 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.125 -1.160 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.129 -0.173 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.506 0.736 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.599 -0.594 9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.110 1.082 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.646 1.071 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.702 -0.243 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.759 2.285 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.510 2.311 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.273 1.500 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.467 0.007 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.364 0.983 9.982 1.00 0.00 H new ATOM 474 N LEU A 32 -0.605 -1.506 6.633 1.00 0.00 N ATOM 475 CA LEU A 32 0.767 -1.985 6.511 1.00 0.00 C ATOM 476 C LEU A 32 1.685 -0.884 5.989 1.00 0.00 C ATOM 477 O LEU A 32 1.288 -0.081 5.145 1.00 0.00 O ATOM 478 CB LEU A 32 0.824 -3.196 5.578 1.00 0.00 C ATOM 479 CG LEU A 32 -0.131 -4.344 5.909 1.00 0.00 C ATOM 480 CD1 LEU A 32 -0.304 -5.258 4.706 1.00 0.00 C ATOM 481 CD2 LEU A 32 0.374 -5.129 7.110 1.00 0.00 C ATOM 0 H LEU A 32 -0.867 -0.800 5.945 1.00 0.00 H new ATOM 0 HA LEU A 32 1.111 -2.280 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.615 -2.858 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.842 -3.585 5.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.104 -3.921 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.987 -6.069 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.713 -4.688 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.663 -5.673 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.318 -5.942 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.358 -5.541 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.444 -4.468 7.974 1.00 0.00 H new ATOM 493 N GLU A 33 2.913 -0.854 6.496 1.00 0.00 N ATOM 494 CA GLU A 33 3.887 0.148 6.080 1.00 0.00 C ATOM 495 C GLU A 33 4.607 -0.289 4.807 1.00 0.00 C ATOM 496 O GLU A 33 5.371 -1.254 4.813 1.00 0.00 O ATOM 497 CB GLU A 33 4.905 0.397 7.195 1.00 0.00 C ATOM 498 CG GLU A 33 6.101 1.224 6.754 1.00 0.00 C ATOM 499 CD GLU A 33 6.717 2.011 7.894 1.00 0.00 C ATOM 500 OE1 GLU A 33 5.968 2.419 8.806 1.00 0.00 O ATOM 501 OE2 GLU A 33 7.948 2.220 7.873 1.00 0.00 O ATOM 0 H GLU A 33 3.257 -1.512 7.195 1.00 0.00 H new ATOM 0 HA GLU A 33 3.351 1.075 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.408 0.904 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.257 -0.562 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.855 0.565 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.792 1.912 5.967 1.00 0.00 H new ATOM 508 N VAL A 34 4.357 0.429 3.717 1.00 0.00 N ATOM 509 CA VAL A 34 4.980 0.117 2.436 1.00 0.00 C ATOM 510 C VAL A 34 6.484 0.363 2.483 1.00 0.00 C ATOM 511 O VAL A 34 6.951 1.302 3.129 1.00 0.00 O ATOM 512 CB VAL A 34 4.370 0.954 1.296 1.00 0.00 C ATOM 513 CG1 VAL A 34 5.086 0.672 -0.016 1.00 0.00 C ATOM 514 CG2 VAL A 34 2.880 0.674 1.170 1.00 0.00 C ATOM 0 H VAL A 34 3.727 1.231 3.695 1.00 0.00 H new ATOM 0 HA VAL A 34 4.792 -0.939 2.242 1.00 0.00 H new ATOM 0 HB VAL A 34 4.500 2.010 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.641 1.272 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.141 0.926 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.989 -0.385 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.464 1.273 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.725 -0.383 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.381 0.931 2.104 1.00 0.00 H new ATOM 524 N LEU A 35 7.238 -0.486 1.794 1.00 0.00 N ATOM 525 CA LEU A 35 8.691 -0.361 1.756 1.00 0.00 C ATOM 526 C LEU A 35 9.190 -0.238 0.320 1.00 0.00 C ATOM 527 O LEU A 35 9.946 0.677 -0.009 1.00 0.00 O ATOM 528 CB LEU A 35 9.345 -1.567 2.433 1.00 0.00 C ATOM 529 CG LEU A 35 9.142 -1.680 3.944 1.00 0.00 C ATOM 530 CD1 LEU A 35 9.406 -3.103 4.413 1.00 0.00 C ATOM 531 CD2 LEU A 35 10.043 -0.699 4.678 1.00 0.00 C ATOM 0 H LEU A 35 6.868 -1.268 1.254 1.00 0.00 H new ATOM 0 HA LEU A 35 8.967 0.545 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.960 -2.474 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.416 -1.535 2.232 1.00 0.00 H new ATOM 0 HG LEU A 35 8.106 -1.430 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.257 -3.164 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.719 -3.785 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.432 -3.381 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.885 -0.794 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.085 -0.917 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.806 0.318 4.364 1.00 0.00 H new ATOM 543 N ASP A 36 8.760 -1.162 -0.532 1.00 0.00 N ATOM 544 CA ASP A 36 9.159 -1.155 -1.934 1.00 0.00 C ATOM 545 C ASP A 36 7.939 -1.089 -2.847 1.00 0.00 C ATOM 546 O ASP A 36 7.304 -2.106 -3.128 1.00 0.00 O ATOM 547 CB ASP A 36 9.986 -2.401 -2.257 1.00 0.00 C ATOM 548 CG ASP A 36 10.842 -2.223 -3.495 1.00 0.00 C ATOM 549 OD1 ASP A 36 10.323 -1.706 -4.507 1.00 0.00 O ATOM 550 OD2 ASP A 36 12.032 -2.600 -3.453 1.00 0.00 O ATOM 0 H ASP A 36 8.135 -1.926 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 36 9.768 -0.268 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.626 -2.639 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.318 -3.250 -2.400 1.00 0.00 H new ATOM 555 N HIS A 37 7.615 0.116 -3.306 1.00 0.00 N ATOM 556 CA HIS A 37 6.469 0.315 -4.187 1.00 0.00 C ATOM 557 C HIS A 37 6.924 0.558 -5.623 1.00 0.00 C ATOM 558 O HIS A 37 6.327 1.354 -6.347 1.00 0.00 O ATOM 559 CB HIS A 37 5.625 1.494 -3.701 1.00 0.00 C ATOM 560 CG HIS A 37 6.410 2.754 -3.507 1.00 0.00 C ATOM 561 ND1 HIS A 37 6.284 3.854 -4.329 1.00 0.00 N ATOM 562 CD2 HIS A 37 7.335 3.086 -2.576 1.00 0.00 C ATOM 563 CE1 HIS A 37 7.098 4.807 -3.913 1.00 0.00 C ATOM 564 NE2 HIS A 37 7.747 4.367 -2.850 1.00 0.00 N ATOM 0 H HIS A 37 8.129 0.968 -3.083 1.00 0.00 H new ATOM 0 HA HIS A 37 5.863 -0.590 -4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.827 1.680 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.148 1.224 -2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.684 2.460 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.213 5.781 -4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.441 4.893 -2.319 1.00 0.00 H new ATOM 573 N SER A 38 7.985 -0.133 -6.028 1.00 0.00 N ATOM 574 CA SER A 38 8.523 0.011 -7.375 1.00 0.00 C ATOM 575 C SER A 38 7.941 -1.046 -8.308 1.00 0.00 C ATOM 576 O SER A 38 7.139 -0.740 -9.191 1.00 0.00 O ATOM 577 CB SER A 38 10.049 -0.095 -7.353 1.00 0.00 C ATOM 578 OG SER A 38 10.631 1.049 -6.753 1.00 0.00 O ATOM 0 H SER A 38 8.489 -0.798 -5.442 1.00 0.00 H new ATOM 0 HA SER A 38 8.241 0.995 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.347 -0.989 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.424 -0.206 -8.371 1.00 0.00 H new ATOM 0 HG SER A 38 11.607 0.956 -6.750 1.00 0.00 H new ATOM 584 N LYS A 39 8.351 -2.294 -8.106 1.00 0.00 N ATOM 585 CA LYS A 39 7.872 -3.400 -8.927 1.00 0.00 C ATOM 586 C LYS A 39 6.371 -3.603 -8.743 1.00 0.00 C ATOM 587 O LYS A 39 5.772 -3.064 -7.813 1.00 0.00 O ATOM 588 CB LYS A 39 8.619 -4.687 -8.571 1.00 0.00 C ATOM 589 CG LYS A 39 9.990 -4.793 -9.216 1.00 0.00 C ATOM 590 CD LYS A 39 9.890 -5.228 -10.669 1.00 0.00 C ATOM 591 CE LYS A 39 9.621 -6.721 -10.786 1.00 0.00 C ATOM 592 NZ LYS A 39 10.820 -7.530 -10.432 1.00 0.00 N ATOM 0 H LYS A 39 9.014 -2.565 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 39 8.062 -3.154 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.731 -4.745 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.016 -5.543 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.496 -3.829 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.599 -5.507 -8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.091 -4.673 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.816 -4.982 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.793 -6.993 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.312 -6.956 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.681 -8.512 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.658 -7.132 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.959 -7.512 -9.401 1.00 0.00 H new ATOM 606 N ARG A 40 5.771 -4.385 -9.635 1.00 0.00 N ATOM 607 CA ARG A 40 4.341 -4.659 -9.570 1.00 0.00 C ATOM 608 C ARG A 40 3.900 -4.913 -8.131 1.00 0.00 C ATOM 609 O ARG A 40 3.040 -4.209 -7.602 1.00 0.00 O ATOM 610 CB ARG A 40 3.991 -5.867 -10.442 1.00 0.00 C ATOM 611 CG ARG A 40 2.551 -5.872 -10.926 1.00 0.00 C ATOM 612 CD ARG A 40 2.317 -6.955 -11.967 1.00 0.00 C ATOM 613 NE ARG A 40 3.164 -6.777 -13.143 1.00 0.00 N ATOM 614 CZ ARG A 40 4.398 -7.260 -13.240 1.00 0.00 C ATOM 615 NH1 ARG A 40 4.924 -7.949 -12.237 1.00 0.00 N ATOM 616 NH2 ARG A 40 5.107 -7.056 -14.343 1.00 0.00 N ATOM 0 H ARG A 40 6.253 -4.839 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 40 3.812 -3.783 -9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.656 -5.886 -11.306 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.178 -6.779 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.882 -6.029 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.305 -4.899 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.513 -7.932 -11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.270 -6.946 -12.270 1.00 0.00 H new ATOM 0 HE ARG A 40 2.788 -6.253 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.381 -8.109 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.871 -8.319 -12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.705 -6.528 -15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.054 -7.427 -14.416 1.00 0.00 H new ATOM 630 N TRP A 41 4.495 -5.921 -7.505 1.00 0.00 N ATOM 631 CA TRP A 41 4.164 -6.268 -6.128 1.00 0.00 C ATOM 632 C TRP A 41 4.909 -5.370 -5.146 1.00 0.00 C ATOM 633 O TRP A 41 6.126 -5.213 -5.236 1.00 0.00 O ATOM 634 CB TRP A 41 4.501 -7.734 -5.854 1.00 0.00 C ATOM 635 CG TRP A 41 3.479 -8.689 -6.392 1.00 0.00 C ATOM 636 CD1 TRP A 41 3.041 -8.780 -7.682 1.00 0.00 C ATOM 637 CD2 TRP A 41 2.766 -9.687 -5.653 1.00 0.00 C ATOM 638 NE1 TRP A 41 2.099 -9.774 -7.791 1.00 0.00 N ATOM 639 CE2 TRP A 41 1.913 -10.347 -6.560 1.00 0.00 C ATOM 640 CE3 TRP A 41 2.766 -10.090 -4.315 1.00 0.00 C ATOM 641 CZ2 TRP A 41 1.070 -11.383 -6.169 1.00 0.00 C ATOM 642 CZ3 TRP A 41 1.929 -11.119 -3.929 1.00 0.00 C ATOM 643 CH2 TRP A 41 1.091 -11.757 -4.853 1.00 0.00 C ATOM 0 H TRP A 41 5.209 -6.513 -7.929 1.00 0.00 H new ATOM 0 HA TRP A 41 3.093 -6.117 -5.989 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.471 -7.965 -6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.596 -7.883 -4.778 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.385 -8.161 -8.497 1.00 0.00 H new ATOM 0 HE1 TRP A 41 1.616 -10.042 -8.649 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.409 -9.605 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.422 -11.875 -6.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.920 -11.437 -2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.449 -12.559 -4.520 1.00 0.00 H new ATOM 654 N TRP A 42 4.171 -4.785 -4.209 1.00 0.00 N ATOM 655 CA TRP A 42 4.764 -3.903 -3.210 1.00 0.00 C ATOM 656 C TRP A 42 5.157 -4.682 -1.961 1.00 0.00 C ATOM 657 O TRP A 42 4.524 -5.681 -1.615 1.00 0.00 O ATOM 658 CB TRP A 42 3.786 -2.785 -2.843 1.00 0.00 C ATOM 659 CG TRP A 42 3.445 -1.891 -3.997 1.00 0.00 C ATOM 660 CD1 TRP A 42 3.559 -2.188 -5.325 1.00 0.00 C ATOM 661 CD2 TRP A 42 2.937 -0.555 -3.924 1.00 0.00 C ATOM 662 NE1 TRP A 42 3.152 -1.116 -6.082 1.00 0.00 N ATOM 663 CE2 TRP A 42 2.765 -0.102 -5.247 1.00 0.00 C ATOM 664 CE3 TRP A 42 2.609 0.303 -2.871 1.00 0.00 C ATOM 665 CZ2 TRP A 42 2.281 1.170 -5.541 1.00 0.00 C ATOM 666 CZ3 TRP A 42 2.129 1.565 -3.164 1.00 0.00 C ATOM 667 CH2 TRP A 42 1.967 1.989 -4.490 1.00 0.00 C ATOM 0 H TRP A 42 3.162 -4.905 -4.120 1.00 0.00 H new ATOM 0 HA TRP A 42 5.664 -3.463 -3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.870 -3.227 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.216 -2.184 -2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.916 -3.127 -5.722 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.140 -1.081 -7.101 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.729 -0.015 -1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.158 1.499 -6.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.874 2.236 -2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.587 2.981 -4.686 1.00 0.00 H new ATOM 678 N LEU A 43 6.204 -4.221 -1.286 1.00 0.00 N ATOM 679 CA LEU A 43 6.682 -4.876 -0.073 1.00 0.00 C ATOM 680 C LEU A 43 6.223 -4.121 1.170 1.00 0.00 C ATOM 681 O LEU A 43 6.661 -2.999 1.426 1.00 0.00 O ATOM 682 CB LEU A 43 8.208 -4.973 -0.089 1.00 0.00 C ATOM 683 CG LEU A 43 8.859 -5.537 1.174 1.00 0.00 C ATOM 684 CD1 LEU A 43 8.606 -7.032 1.283 1.00 0.00 C ATOM 685 CD2 LEU A 43 10.352 -5.244 1.182 1.00 0.00 C ATOM 0 H LEU A 43 6.739 -3.396 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 43 6.261 -5.881 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.503 -5.595 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.613 -3.977 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 43 8.410 -5.050 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.077 -7.416 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.533 -7.217 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.027 -7.537 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.798 -5.653 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.817 -5.703 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.511 -4.166 1.154 1.00 0.00 H new ATOM 697 N VAL A 44 5.338 -4.744 1.942 1.00 0.00 N ATOM 698 CA VAL A 44 4.822 -4.133 3.161 1.00 0.00 C ATOM 699 C VAL A 44 5.202 -4.951 4.390 1.00 0.00 C ATOM 700 O VAL A 44 5.515 -6.137 4.288 1.00 0.00 O ATOM 701 CB VAL A 44 3.289 -3.987 3.109 1.00 0.00 C ATOM 702 CG1 VAL A 44 2.866 -3.232 1.859 1.00 0.00 C ATOM 703 CG2 VAL A 44 2.622 -5.353 3.169 1.00 0.00 C ATOM 0 H VAL A 44 4.963 -5.672 1.745 1.00 0.00 H new ATOM 0 HA VAL A 44 5.272 -3.143 3.234 1.00 0.00 H new ATOM 0 HB VAL A 44 2.966 -3.412 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.780 -3.139 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.315 -2.239 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.199 -3.776 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.539 -5.231 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.949 -5.955 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.899 -5.853 4.097 1.00 0.00 H new ATOM 713 N LYS A 45 5.173 -4.309 5.553 1.00 0.00 N ATOM 714 CA LYS A 45 5.513 -4.976 6.804 1.00 0.00 C ATOM 715 C LYS A 45 4.384 -4.836 7.820 1.00 0.00 C ATOM 716 O LYS A 45 3.544 -3.945 7.709 1.00 0.00 O ATOM 717 CB LYS A 45 6.807 -4.395 7.380 1.00 0.00 C ATOM 718 CG LYS A 45 7.607 -5.391 8.203 1.00 0.00 C ATOM 719 CD LYS A 45 9.095 -5.088 8.151 1.00 0.00 C ATOM 720 CE LYS A 45 9.510 -4.143 9.269 1.00 0.00 C ATOM 721 NZ LYS A 45 10.988 -3.975 9.333 1.00 0.00 N ATOM 0 H LYS A 45 4.917 -3.327 5.655 1.00 0.00 H new ATOM 0 HA LYS A 45 5.659 -6.036 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.428 -4.031 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.563 -3.534 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.266 -5.367 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.427 -6.400 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.660 -6.017 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.344 -4.645 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.040 -3.171 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.146 -4.526 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.230 -3.324 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.435 -4.898 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.332 -3.585 8.432 1.00 0.00 H new ATOM 735 N ASN A 46 4.372 -5.723 8.810 1.00 0.00 N ATOM 736 CA ASN A 46 3.346 -5.697 9.846 1.00 0.00 C ATOM 737 C ASN A 46 3.963 -5.434 11.216 1.00 0.00 C ATOM 738 O ASN A 46 5.163 -5.186 11.330 1.00 0.00 O ATOM 739 CB ASN A 46 2.577 -7.020 9.865 1.00 0.00 C ATOM 740 CG ASN A 46 3.499 -8.224 9.900 1.00 0.00 C ATOM 741 OD1 ASN A 46 4.715 -8.084 10.032 1.00 0.00 O ATOM 742 ND2 ASN A 46 2.923 -9.414 9.781 1.00 0.00 N ATOM 0 H ASN A 46 5.061 -6.468 8.916 1.00 0.00 H new ATOM 0 HA ASN A 46 2.654 -4.886 9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.920 -7.043 10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.940 -7.079 8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.492 -10.260 9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.911 -9.482 9.674 1.00 0.00 H new ATOM 749 N GLU A 47 3.134 -5.493 12.254 1.00 0.00 N ATOM 750 CA GLU A 47 3.599 -5.261 13.616 1.00 0.00 C ATOM 751 C GLU A 47 4.470 -6.417 14.098 1.00 0.00 C ATOM 752 O GLU A 47 5.215 -6.285 15.069 1.00 0.00 O ATOM 753 CB GLU A 47 2.409 -5.077 14.561 1.00 0.00 C ATOM 754 CG GLU A 47 1.713 -6.378 14.924 1.00 0.00 C ATOM 755 CD GLU A 47 0.733 -6.832 13.860 1.00 0.00 C ATOM 756 OE1 GLU A 47 -0.273 -6.127 13.638 1.00 0.00 O ATOM 757 OE2 GLU A 47 0.973 -7.894 13.248 1.00 0.00 O ATOM 0 H GLU A 47 2.138 -5.699 12.177 1.00 0.00 H new ATOM 0 HA GLU A 47 4.199 -4.351 13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.753 -4.592 15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.687 -4.406 14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.461 -7.155 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.185 -6.252 15.869 1.00 0.00 H new ATOM 764 N ALA A 48 4.370 -7.551 13.412 1.00 0.00 N ATOM 765 CA ALA A 48 5.149 -8.730 13.768 1.00 0.00 C ATOM 766 C ALA A 48 6.527 -8.695 13.116 1.00 0.00 C ATOM 767 O ALA A 48 7.219 -9.710 13.047 1.00 0.00 O ATOM 768 CB ALA A 48 4.406 -9.995 13.367 1.00 0.00 C ATOM 0 H ALA A 48 3.757 -7.678 12.607 1.00 0.00 H new ATOM 0 HA ALA A 48 5.287 -8.730 14.849 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.000 -10.868 13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.447 -10.033 13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.238 -9.992 12.290 1.00 0.00 H new ATOM 774 N GLY A 49 6.921 -7.518 12.638 1.00 0.00 N ATOM 775 CA GLY A 49 8.215 -7.374 11.997 1.00 0.00 C ATOM 776 C GLY A 49 8.356 -8.252 10.770 1.00 0.00 C ATOM 777 O GLY A 49 9.444 -8.377 10.208 1.00 0.00 O ATOM 0 H GLY A 49 6.367 -6.663 12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.362 -6.332 11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.000 -7.624 12.711 1.00 0.00 H new ATOM 781 N ARG A 50 7.252 -8.865 10.353 1.00 0.00 N ATOM 782 CA ARG A 50 7.258 -9.740 9.186 1.00 0.00 C ATOM 783 C ARG A 50 6.815 -8.983 7.938 1.00 0.00 C ATOM 784 O ARG A 50 5.697 -8.473 7.873 1.00 0.00 O ATOM 785 CB ARG A 50 6.342 -10.942 9.419 1.00 0.00 C ATOM 786 CG ARG A 50 7.022 -12.097 10.136 1.00 0.00 C ATOM 787 CD ARG A 50 6.333 -13.420 9.841 1.00 0.00 C ATOM 788 NE ARG A 50 7.140 -14.563 10.259 1.00 0.00 N ATOM 789 CZ ARG A 50 6.952 -15.799 9.810 1.00 0.00 C ATOM 790 NH1 ARG A 50 5.990 -16.050 8.933 1.00 0.00 N ATOM 791 NH2 ARG A 50 7.727 -16.787 10.238 1.00 0.00 N ATOM 0 H ARG A 50 6.343 -8.772 10.806 1.00 0.00 H new ATOM 0 HA ARG A 50 8.278 -10.094 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.478 -10.622 10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.966 -11.293 8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.066 -12.153 9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.015 -11.914 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.371 -13.449 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.129 -13.492 8.773 1.00 0.00 H new ATOM 0 HE ARG A 50 7.889 -14.404 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.392 -15.293 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.848 -17.000 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.468 -16.598 10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.582 -17.736 9.892 1.00 0.00 H new ATOM 805 N SER A 51 7.701 -8.915 6.948 1.00 0.00 N ATOM 806 CA SER A 51 7.403 -8.217 5.703 1.00 0.00 C ATOM 807 C SER A 51 7.248 -9.204 4.550 1.00 0.00 C ATOM 808 O SER A 51 8.101 -10.065 4.337 1.00 0.00 O ATOM 809 CB SER A 51 8.508 -7.209 5.382 1.00 0.00 C ATOM 810 OG SER A 51 9.789 -7.757 5.639 1.00 0.00 O ATOM 0 H SER A 51 8.630 -9.335 6.985 1.00 0.00 H new ATOM 0 HA SER A 51 6.461 -7.684 5.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.440 -6.911 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.368 -6.308 5.980 1.00 0.00 H new ATOM 0 HG SER A 51 10.478 -7.094 5.424 1.00 0.00 H new ATOM 816 N GLY A 52 6.152 -9.073 3.809 1.00 0.00 N ATOM 817 CA GLY A 52 5.905 -9.959 2.687 1.00 0.00 C ATOM 818 C GLY A 52 5.539 -9.207 1.423 1.00 0.00 C ATOM 819 O GLY A 52 5.066 -8.072 1.483 1.00 0.00 O ATOM 0 H GLY A 52 5.431 -8.369 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.794 -10.563 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.100 -10.648 2.942 1.00 0.00 H new ATOM 823 N TYR A 53 5.761 -9.838 0.276 1.00 0.00 N ATOM 824 CA TYR A 53 5.456 -9.219 -1.009 1.00 0.00 C ATOM 825 C TYR A 53 3.967 -9.324 -1.324 1.00 0.00 C ATOM 826 O TYR A 53 3.413 -10.421 -1.400 1.00 0.00 O ATOM 827 CB TYR A 53 6.272 -9.878 -2.122 1.00 0.00 C ATOM 828 CG TYR A 53 7.735 -9.499 -2.106 1.00 0.00 C ATOM 829 CD1 TYR A 53 8.141 -8.207 -2.417 1.00 0.00 C ATOM 830 CD2 TYR A 53 8.712 -10.432 -1.782 1.00 0.00 C ATOM 831 CE1 TYR A 53 9.477 -7.856 -2.404 1.00 0.00 C ATOM 832 CE2 TYR A 53 10.050 -10.090 -1.765 1.00 0.00 C ATOM 833 CZ TYR A 53 10.428 -8.800 -2.077 1.00 0.00 C ATOM 834 OH TYR A 53 11.760 -8.456 -2.063 1.00 0.00 O ATOM 0 H TYR A 53 6.151 -10.778 0.209 1.00 0.00 H new ATOM 0 HA TYR A 53 5.722 -8.164 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.185 -10.961 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.845 -9.603 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.400 -7.465 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.420 -11.443 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.775 -6.847 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.796 -10.828 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 53 12.297 -9.236 -1.811 1.00 0.00 H new ATOM 844 N ILE A 54 3.325 -8.175 -1.506 1.00 0.00 N ATOM 845 CA ILE A 54 1.901 -8.136 -1.814 1.00 0.00 C ATOM 846 C ILE A 54 1.617 -7.194 -2.980 1.00 0.00 C ATOM 847 O ILE A 54 2.326 -6.213 -3.205 1.00 0.00 O ATOM 848 CB ILE A 54 1.073 -7.690 -0.595 1.00 0.00 C ATOM 849 CG1 ILE A 54 1.367 -6.227 -0.258 1.00 0.00 C ATOM 850 CG2 ILE A 54 1.367 -8.584 0.601 1.00 0.00 C ATOM 851 CD1 ILE A 54 0.195 -5.503 0.366 1.00 0.00 C ATOM 0 H ILE A 54 3.769 -7.259 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 54 1.610 -9.150 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 54 0.015 -7.781 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.216 -6.183 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.663 -5.705 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.774 -8.256 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.111 -9.615 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.426 -8.522 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.476 -4.471 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.649 -5.515 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.088 -6.000 1.294 1.00 0.00 H new ATOM 863 N PRO A 55 0.553 -7.497 -3.739 1.00 0.00 N ATOM 864 CA PRO A 55 0.148 -6.688 -4.893 1.00 0.00 C ATOM 865 C PRO A 55 -0.408 -5.329 -4.482 1.00 0.00 C ATOM 866 O PRO A 55 -0.891 -5.158 -3.362 1.00 0.00 O ATOM 867 CB PRO A 55 -0.942 -7.535 -5.554 1.00 0.00 C ATOM 868 CG PRO A 55 -1.490 -8.374 -4.452 1.00 0.00 C ATOM 869 CD PRO A 55 -0.337 -8.651 -3.529 1.00 0.00 C ATOM 0 HA PRO A 55 0.989 -6.463 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.716 -6.908 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.533 -8.151 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.293 -7.855 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.911 -9.302 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.662 -8.724 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.158 -9.590 -3.775 1.00 0.00 H new ATOM 877 N SER A 56 -0.338 -4.366 -5.394 1.00 0.00 N ATOM 878 CA SER A 56 -0.833 -3.020 -5.125 1.00 0.00 C ATOM 879 C SER A 56 -2.342 -2.943 -5.337 1.00 0.00 C ATOM 880 O SER A 56 -2.994 -2.000 -4.894 1.00 0.00 O ATOM 881 CB SER A 56 -0.127 -2.005 -6.026 1.00 0.00 C ATOM 882 OG SER A 56 -0.621 -2.071 -7.353 1.00 0.00 O ATOM 0 H SER A 56 0.057 -4.492 -6.326 1.00 0.00 H new ATOM 0 HA SER A 56 -0.618 -2.782 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.272 -1.000 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.946 -2.197 -6.024 1.00 0.00 H new ATOM 0 HG SER A 56 -0.155 -1.412 -7.909 1.00 0.00 H new ATOM 888 N ASN A 57 -2.889 -3.944 -6.020 1.00 0.00 N ATOM 889 CA ASN A 57 -4.321 -3.991 -6.292 1.00 0.00 C ATOM 890 C ASN A 57 -5.118 -4.089 -4.995 1.00 0.00 C ATOM 891 O ASN A 57 -6.293 -3.724 -4.948 1.00 0.00 O ATOM 892 CB ASN A 57 -4.650 -5.179 -7.198 1.00 0.00 C ATOM 893 CG ASN A 57 -3.818 -6.404 -6.870 1.00 0.00 C ATOM 894 OD1 ASN A 57 -3.909 -6.954 -5.772 1.00 0.00 O ATOM 895 ND2 ASN A 57 -3.002 -6.837 -7.823 1.00 0.00 N ATOM 0 H ASN A 57 -2.362 -4.733 -6.395 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.600 -3.068 -6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.707 -5.425 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.483 -4.897 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.418 -7.657 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.959 -6.350 -8.718 1.00 0.00 H new ATOM 902 N ILE A 58 -4.471 -4.584 -3.945 1.00 0.00 N ATOM 903 CA ILE A 58 -5.119 -4.728 -2.648 1.00 0.00 C ATOM 904 C ILE A 58 -4.647 -3.653 -1.675 1.00 0.00 C ATOM 905 O ILE A 58 -4.672 -3.847 -0.458 1.00 0.00 O ATOM 906 CB ILE A 58 -4.849 -6.114 -2.034 1.00 0.00 C ATOM 907 CG1 ILE A 58 -3.373 -6.248 -1.652 1.00 0.00 C ATOM 908 CG2 ILE A 58 -5.251 -7.212 -3.008 1.00 0.00 C ATOM 909 CD1 ILE A 58 -3.116 -7.300 -0.596 1.00 0.00 C ATOM 0 H ILE A 58 -3.499 -4.892 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.190 -4.617 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.450 -6.218 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.796 -6.491 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.011 -5.286 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.054 -8.186 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.313 -7.125 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.674 -7.112 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.050 -7.340 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.666 -7.047 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.447 -8.272 -0.962 1.00 0.00 H new ATOM 921 N LEU A 59 -4.219 -2.519 -2.217 1.00 0.00 N ATOM 922 CA LEU A 59 -3.742 -1.410 -1.397 1.00 0.00 C ATOM 923 C LEU A 59 -4.385 -0.097 -1.830 1.00 0.00 C ATOM 924 O LEU A 59 -4.411 0.231 -3.016 1.00 0.00 O ATOM 925 CB LEU A 59 -2.219 -1.300 -1.489 1.00 0.00 C ATOM 926 CG LEU A 59 -1.422 -2.343 -0.703 1.00 0.00 C ATOM 927 CD1 LEU A 59 0.069 -2.062 -0.805 1.00 0.00 C ATOM 928 CD2 LEU A 59 -1.865 -2.366 0.753 1.00 0.00 C ATOM 0 H LEU A 59 -4.192 -2.342 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.024 -1.608 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.933 -1.368 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.925 -0.310 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.616 -3.324 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.620 -2.814 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.375 -2.097 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.282 -1.074 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.288 -3.113 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.700 -1.385 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.925 -2.616 0.807 1.00 0.00 H new ATOM 940 N GLU A 60 -4.901 0.652 -0.860 1.00 0.00 N ATOM 941 CA GLU A 60 -5.543 1.930 -1.142 1.00 0.00 C ATOM 942 C GLU A 60 -5.060 3.006 -0.173 1.00 0.00 C ATOM 943 O GLU A 60 -4.571 2.719 0.919 1.00 0.00 O ATOM 944 CB GLU A 60 -7.064 1.793 -1.053 1.00 0.00 C ATOM 945 CG GLU A 60 -7.719 1.416 -2.371 1.00 0.00 C ATOM 946 CD GLU A 60 -7.443 2.423 -3.470 1.00 0.00 C ATOM 947 OE1 GLU A 60 -8.200 3.410 -3.575 1.00 0.00 O ATOM 948 OE2 GLU A 60 -6.468 2.224 -4.225 1.00 0.00 O ATOM 0 H GLU A 60 -4.887 0.396 0.127 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.272 2.229 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.309 1.038 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.486 2.736 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.359 0.436 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.796 1.329 -2.225 1.00 0.00 H new ATOM 955 N PRO A 61 -5.201 4.276 -0.582 1.00 0.00 N ATOM 956 CA PRO A 61 -4.786 5.421 0.233 1.00 0.00 C ATOM 957 C PRO A 61 -5.675 5.614 1.457 1.00 0.00 C ATOM 958 O PRO A 61 -6.727 6.250 1.379 1.00 0.00 O ATOM 959 CB PRO A 61 -4.927 6.608 -0.723 1.00 0.00 C ATOM 960 CG PRO A 61 -5.953 6.176 -1.713 1.00 0.00 C ATOM 961 CD PRO A 61 -5.776 4.692 -1.873 1.00 0.00 C ATOM 0 HA PRO A 61 -3.779 5.294 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.241 7.508 -0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.980 6.839 -1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.957 6.414 -1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.818 6.690 -2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.725 4.193 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.112 4.454 -2.704 1.00 0.00 H new ATOM 969 N LEU A 62 -5.247 5.062 2.587 1.00 0.00 N ATOM 970 CA LEU A 62 -6.004 5.174 3.828 1.00 0.00 C ATOM 971 C LEU A 62 -5.768 6.527 4.490 1.00 0.00 C ATOM 972 O LEU A 62 -4.962 7.328 4.017 1.00 0.00 O ATOM 973 CB LEU A 62 -5.616 4.048 4.789 1.00 0.00 C ATOM 974 CG LEU A 62 -4.351 4.279 5.617 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.216 4.770 4.731 1.00 0.00 C ATOM 976 CD2 LEU A 62 -4.622 5.271 6.739 1.00 0.00 C ATOM 0 H LEU A 62 -4.379 4.532 2.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.064 5.089 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.448 3.878 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.486 3.133 4.211 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.052 3.330 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.324 4.929 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.005 4.025 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.504 5.708 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.711 5.423 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.945 6.221 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.404 4.880 7.390 1.00 0.00 H new ATOM 988 N SER A 63 -6.475 6.774 5.589 1.00 0.00 N ATOM 989 CA SER A 63 -6.343 8.032 6.315 1.00 0.00 C ATOM 990 C SER A 63 -6.650 7.837 7.797 1.00 0.00 C ATOM 991 O SER A 63 -7.534 7.064 8.163 1.00 0.00 O ATOM 992 CB SER A 63 -7.279 9.088 5.723 1.00 0.00 C ATOM 993 OG SER A 63 -7.195 10.305 6.444 1.00 0.00 O ATOM 0 H SER A 63 -7.144 6.120 5.995 1.00 0.00 H new ATOM 0 HA SER A 63 -5.313 8.374 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.022 9.262 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.305 8.721 5.742 1.00 0.00 H new ATOM 0 HG SER A 63 -7.801 10.964 6.045 1.00 0.00 H new ATOM 999 N GLY A 64 -5.912 8.546 8.646 1.00 0.00 N ATOM 1000 CA GLY A 64 -6.119 8.438 10.078 1.00 0.00 C ATOM 1001 C GLY A 64 -5.944 9.764 10.791 1.00 0.00 C ATOM 1002 O GLY A 64 -6.862 10.581 10.864 1.00 0.00 O ATOM 0 H GLY A 64 -5.175 9.193 8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.122 8.056 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.418 7.712 10.490 1.00 0.00 H new ATOM 1006 N PRO A 65 -4.739 9.994 11.335 1.00 0.00 N ATOM 1007 CA PRO A 65 -4.418 11.229 12.056 1.00 0.00 C ATOM 1008 C PRO A 65 -4.339 12.437 11.130 1.00 0.00 C ATOM 1009 O PRO A 65 -4.152 12.294 9.922 1.00 0.00 O ATOM 1010 CB PRO A 65 -3.047 10.935 12.671 1.00 0.00 C ATOM 1011 CG PRO A 65 -2.449 9.899 11.783 1.00 0.00 C ATOM 1012 CD PRO A 65 -3.597 9.065 11.286 1.00 0.00 C ATOM 0 HA PRO A 65 -5.183 11.483 12.789 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.428 11.832 12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.142 10.573 13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.913 10.359 10.953 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.729 9.287 12.327 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.420 8.699 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.762 8.192 11.917 1.00 0.00 H new ATOM 1020 N SER A 66 -4.481 13.628 11.704 1.00 0.00 N ATOM 1021 CA SER A 66 -4.429 14.861 10.929 1.00 0.00 C ATOM 1022 C SER A 66 -3.213 15.697 11.318 1.00 0.00 C ATOM 1023 O SER A 66 -3.190 16.911 11.116 1.00 0.00 O ATOM 1024 CB SER A 66 -5.708 15.674 11.137 1.00 0.00 C ATOM 1025 OG SER A 66 -6.067 15.719 12.507 1.00 0.00 O ATOM 0 H SER A 66 -4.633 13.764 12.703 1.00 0.00 H new ATOM 0 HA SER A 66 -4.343 14.595 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.563 16.687 10.762 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.521 15.233 10.559 1.00 0.00 H new ATOM 0 HG SER A 66 -6.887 16.246 12.613 1.00 0.00 H new ATOM 1031 N SER A 67 -2.205 15.036 11.878 1.00 0.00 N ATOM 1032 CA SER A 67 -0.986 15.717 12.300 1.00 0.00 C ATOM 1033 C SER A 67 0.203 15.279 11.451 1.00 0.00 C ATOM 1034 O SER A 67 0.659 14.140 11.541 1.00 0.00 O ATOM 1035 CB SER A 67 -0.704 15.434 13.777 1.00 0.00 C ATOM 1036 OG SER A 67 0.369 16.228 14.253 1.00 0.00 O ATOM 0 H SER A 67 -2.208 14.031 12.050 1.00 0.00 H new ATOM 0 HA SER A 67 -1.132 16.789 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.599 15.635 14.366 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.466 14.379 13.909 1.00 0.00 H new ATOM 0 HG SER A 67 0.528 16.030 15.199 1.00 0.00 H new ATOM 1042 N GLY A 68 0.701 16.194 10.624 1.00 0.00 N ATOM 1043 CA GLY A 68 1.832 15.885 9.770 1.00 0.00 C ATOM 1044 C GLY A 68 1.407 15.363 8.411 1.00 0.00 C ATOM 1045 O GLY A 68 2.247 15.082 7.557 1.00 0.00 O ATOM 0 H GLY A 68 0.341 17.144 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.439 16.781 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.461 15.142 10.260 1.00 0.00 H new TER 1049 GLY A 68