USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 524 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 34 GLN : amide:sc= -0.108 K(o=-1.2,f=0.47) USER MOD Set 1.2: A 40 THR OG1 : rot -130:sc= -1.14 USER MOD Single : A 13 THR OG1 : rot 22:sc= 0.356 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 17 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 88:sc= 1.15 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= 0.144 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 35 ASN : amide:sc= -0.264 K(o=-0.26,f=-1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0.0868 (180deg=0.0219) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -124:sc= 1.06 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 75:sc= 0.282 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 104:sc= 0.37 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -0.0159 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 101.160 -16.299 3.865 1.00 0.00 N ATOM 2 CA THR A 13 101.447 -16.219 5.321 1.00 0.00 C ATOM 3 C THR A 13 100.166 -16.067 6.134 1.00 0.00 C ATOM 4 O THR A 13 100.126 -16.409 7.316 1.00 0.00 O ATOM 5 CB THR A 13 102.374 -15.028 5.571 1.00 0.00 C ATOM 6 OG1 THR A 13 103.421 -14.997 4.617 1.00 0.00 O ATOM 7 CG2 THR A 13 103.006 -15.039 6.946 1.00 0.00 C ATOM 0 HA THR A 13 101.927 -17.145 5.639 1.00 0.00 H new ATOM 0 HB THR A 13 101.738 -14.146 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 13 103.153 -15.502 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 13 103.651 -14.167 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 13 102.225 -15.011 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 13 103.598 -15.946 7.067 1.00 0.00 H new ATOM 15 N PHE A 14 99.121 -15.554 5.489 1.00 0.00 N ATOM 16 CA PHE A 14 97.824 -15.353 6.130 1.00 0.00 C ATOM 17 C PHE A 14 97.868 -14.265 7.209 1.00 0.00 C ATOM 18 O PHE A 14 96.825 -13.746 7.609 1.00 0.00 O ATOM 19 CB PHE A 14 97.332 -16.673 6.719 1.00 0.00 C ATOM 20 CG PHE A 14 96.066 -16.549 7.520 1.00 0.00 C ATOM 21 CD1 PHE A 14 94.861 -16.264 6.897 1.00 0.00 C ATOM 22 CD2 PHE A 14 96.083 -16.712 8.895 1.00 0.00 C ATOM 23 CE1 PHE A 14 93.697 -16.143 7.633 1.00 0.00 C ATOM 24 CE2 PHE A 14 94.922 -16.591 9.636 1.00 0.00 C ATOM 25 CZ PHE A 14 93.728 -16.307 9.004 1.00 0.00 C ATOM 0 H PHE A 14 99.149 -15.267 4.511 1.00 0.00 H new ATOM 0 HA PHE A 14 97.126 -15.010 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 14 97.169 -17.383 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 14 98.113 -17.089 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 14 94.831 -16.135 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 14 97.014 -16.936 9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 14 92.764 -15.920 7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 14 94.949 -16.719 10.708 1.00 0.00 H new ATOM 0 HZ PHE A 14 92.820 -16.213 9.581 1.00 0.00 H new ATOM 35 N LEU A 15 99.064 -13.913 7.673 1.00 0.00 N ATOM 36 CA LEU A 15 99.210 -12.882 8.694 1.00 0.00 C ATOM 37 C LEU A 15 99.273 -11.501 8.051 1.00 0.00 C ATOM 38 O LEU A 15 98.560 -10.583 8.453 1.00 0.00 O ATOM 39 CB LEU A 15 100.469 -13.132 9.527 1.00 0.00 C ATOM 40 CG LEU A 15 100.461 -14.426 10.343 1.00 0.00 C ATOM 41 CD1 LEU A 15 101.715 -14.526 11.199 1.00 0.00 C ATOM 42 CD2 LEU A 15 99.213 -14.499 11.210 1.00 0.00 C ATOM 0 H LEU A 15 99.943 -14.325 7.359 1.00 0.00 H new ATOM 0 HA LEU A 15 98.341 -12.922 9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 15 101.330 -13.147 8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 100.608 -12.292 10.208 1.00 0.00 H new ATOM 0 HG LEU A 15 100.451 -15.270 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.691 -15.453 11.772 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.596 -14.519 10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.758 -13.678 11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 99.223 -15.425 11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 15 99.194 -13.649 11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 98.327 -14.475 10.575 1.00 0.00 H new ATOM 54 N THR A 16 100.129 -11.367 7.043 1.00 0.00 N ATOM 55 CA THR A 16 100.287 -10.102 6.335 1.00 0.00 C ATOM 56 C THR A 16 99.017 -9.745 5.568 1.00 0.00 C ATOM 57 O THR A 16 98.710 -8.570 5.368 1.00 0.00 O ATOM 58 CB THR A 16 101.472 -10.178 5.371 1.00 0.00 C ATOM 59 OG1 THR A 16 102.475 -11.042 5.877 1.00 0.00 O ATOM 60 CG2 THR A 16 102.115 -8.834 5.106 1.00 0.00 C ATOM 0 H THR A 16 100.724 -12.120 6.698 1.00 0.00 H new ATOM 0 HA THR A 16 100.476 -9.323 7.073 1.00 0.00 H new ATOM 0 HB THR A 16 101.060 -10.556 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 16 103.224 -11.079 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 16 102.948 -8.959 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 16 101.379 -8.159 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 102.481 -8.415 6.043 1.00 0.00 H new ATOM 68 N GLN A 17 98.284 -10.768 5.140 1.00 0.00 N ATOM 69 CA GLN A 17 97.047 -10.562 4.397 1.00 0.00 C ATOM 70 C GLN A 17 96.007 -9.857 5.260 1.00 0.00 C ATOM 71 O GLN A 17 95.195 -9.082 4.758 1.00 0.00 O ATOM 72 CB GLN A 17 96.494 -11.898 3.901 1.00 0.00 C ATOM 73 CG GLN A 17 95.506 -11.759 2.755 1.00 0.00 C ATOM 74 CD GLN A 17 95.512 -12.962 1.834 1.00 0.00 C ATOM 75 OE1 GLN A 17 96.520 -13.657 1.710 1.00 0.00 O ATOM 76 NE2 GLN A 17 94.386 -13.209 1.176 1.00 0.00 N ATOM 0 H GLN A 17 98.525 -11.747 5.295 1.00 0.00 H new ATOM 0 HA GLN A 17 97.270 -9.930 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 17 97.323 -12.529 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 17 96.006 -12.410 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 17 94.503 -11.620 3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 17 95.745 -10.864 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 17 93.574 -12.606 1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 17 94.332 -14.002 0.537 1.00 0.00 H new ATOM 85 N VAL A 18 96.040 -10.132 6.561 1.00 0.00 N ATOM 86 CA VAL A 18 95.101 -9.523 7.498 1.00 0.00 C ATOM 87 C VAL A 18 95.619 -8.176 7.991 1.00 0.00 C ATOM 88 O VAL A 18 94.850 -7.233 8.176 1.00 0.00 O ATOM 89 CB VAL A 18 94.848 -10.438 8.713 1.00 0.00 C ATOM 90 CG1 VAL A 18 93.765 -9.852 9.607 1.00 0.00 C ATOM 91 CG2 VAL A 18 94.473 -11.841 8.259 1.00 0.00 C ATOM 0 H VAL A 18 96.707 -10.773 6.990 1.00 0.00 H new ATOM 0 HA VAL A 18 94.164 -9.377 6.961 1.00 0.00 H new ATOM 0 HB VAL A 18 95.769 -10.503 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 18 93.600 -10.512 10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 94.079 -8.871 9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 18 92.839 -9.753 9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 18 94.299 -12.471 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 93.566 -11.798 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 18 95.285 -12.260 7.665 1.00 0.00 H new ATOM 101 N LYS A 19 96.929 -8.094 8.192 1.00 0.00 N ATOM 102 CA LYS A 19 97.561 -6.865 8.658 1.00 0.00 C ATOM 103 C LYS A 19 97.406 -5.764 7.625 1.00 0.00 C ATOM 104 O LYS A 19 96.805 -4.723 7.889 1.00 0.00 O ATOM 105 CB LYS A 19 99.043 -7.107 8.913 1.00 0.00 C ATOM 106 CG LYS A 19 99.648 -6.176 9.951 1.00 0.00 C ATOM 107 CD LYS A 19 99.613 -6.793 11.339 1.00 0.00 C ATOM 108 CE LYS A 19 98.408 -6.314 12.132 1.00 0.00 C ATOM 109 NZ LYS A 19 98.759 -5.206 13.062 1.00 0.00 N ATOM 0 H LYS A 19 97.577 -8.867 8.039 1.00 0.00 H new ATOM 0 HA LYS A 19 97.075 -6.558 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 19 99.182 -8.138 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 19 99.587 -6.992 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 19 100.678 -5.947 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 99.102 -5.232 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 19 99.586 -7.879 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 19 100.527 -6.538 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 97.631 -5.979 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 19 97.993 -7.147 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 97.910 -4.908 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 99.482 -5.533 13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 99.131 -4.401 12.518 1.00 0.00 H new ATOM 123 N GLU A 20 97.949 -6.013 6.440 1.00 0.00 N ATOM 124 CA GLU A 20 97.869 -5.053 5.348 1.00 0.00 C ATOM 125 C GLU A 20 96.415 -4.705 5.052 1.00 0.00 C ATOM 126 O GLU A 20 96.124 -3.676 4.447 1.00 0.00 O ATOM 127 CB GLU A 20 98.541 -5.615 4.094 1.00 0.00 C ATOM 128 CG GLU A 20 100.031 -5.328 4.020 1.00 0.00 C ATOM 129 CD GLU A 20 100.344 -4.049 3.268 1.00 0.00 C ATOM 130 OE1 GLU A 20 100.113 -2.958 3.832 1.00 0.00 O ATOM 131 OE2 GLU A 20 100.820 -4.137 2.117 1.00 0.00 O ATOM 0 H GLU A 20 98.449 -6.872 6.211 1.00 0.00 H new ATOM 0 HA GLU A 20 98.392 -4.145 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 20 98.385 -6.693 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 98.055 -5.196 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.434 -5.258 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.534 -6.163 3.533 1.00 0.00 H new ATOM 138 N SER A 21 95.506 -5.573 5.487 1.00 0.00 N ATOM 139 CA SER A 21 94.085 -5.362 5.277 1.00 0.00 C ATOM 140 C SER A 21 93.551 -4.295 6.226 1.00 0.00 C ATOM 141 O SER A 21 93.004 -3.282 5.793 1.00 0.00 O ATOM 142 CB SER A 21 93.347 -6.676 5.496 1.00 0.00 C ATOM 143 OG SER A 21 92.504 -6.983 4.399 1.00 0.00 O ATOM 0 H SER A 21 95.734 -6.431 5.989 1.00 0.00 H new ATOM 0 HA SER A 21 93.924 -5.016 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 21 94.068 -7.481 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 21 92.753 -6.614 6.408 1.00 0.00 H new ATOM 0 HG SER A 21 92.045 -7.832 4.567 1.00 0.00 H new ATOM 149 N LEU A 22 93.719 -4.532 7.522 1.00 0.00 N ATOM 150 CA LEU A 22 93.261 -3.590 8.531 1.00 0.00 C ATOM 151 C LEU A 22 94.041 -2.286 8.433 1.00 0.00 C ATOM 152 O LEU A 22 93.502 -1.207 8.680 1.00 0.00 O ATOM 153 CB LEU A 22 93.415 -4.188 9.930 1.00 0.00 C ATOM 154 CG LEU A 22 92.706 -3.417 11.045 1.00 0.00 C ATOM 155 CD1 LEU A 22 91.210 -3.691 11.014 1.00 0.00 C ATOM 156 CD2 LEU A 22 93.289 -3.785 12.401 1.00 0.00 C ATOM 0 H LEU A 22 94.168 -5.368 7.896 1.00 0.00 H new ATOM 0 HA LEU A 22 92.206 -3.383 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 22 93.034 -5.209 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 22 94.477 -4.247 10.168 1.00 0.00 H new ATOM 0 HG LEU A 22 92.863 -2.351 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 22 90.722 -3.135 11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 22 90.803 -3.378 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 22 91.032 -4.757 11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 22 92.773 -3.227 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 93.162 -4.854 12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 22 94.350 -3.538 12.420 1.00 0.00 H new ATOM 168 N SER A 23 95.313 -2.394 8.065 1.00 0.00 N ATOM 169 CA SER A 23 96.169 -1.223 7.928 1.00 0.00 C ATOM 170 C SER A 23 95.817 -0.443 6.668 1.00 0.00 C ATOM 171 O SER A 23 95.910 0.783 6.640 1.00 0.00 O ATOM 172 CB SER A 23 97.642 -1.637 7.897 1.00 0.00 C ATOM 173 OG SER A 23 98.258 -1.425 9.156 1.00 0.00 O ATOM 0 H SER A 23 95.773 -3.280 7.857 1.00 0.00 H new ATOM 0 HA SER A 23 96.004 -0.579 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 23 97.722 -2.689 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 23 98.167 -1.067 7.131 1.00 0.00 H new ATOM 0 HG SER A 23 99.198 -1.699 9.111 1.00 0.00 H new ATOM 178 N SER A 24 95.409 -1.162 5.630 1.00 0.00 N ATOM 179 CA SER A 24 95.038 -0.532 4.371 1.00 0.00 C ATOM 180 C SER A 24 93.755 0.268 4.533 1.00 0.00 C ATOM 181 O SER A 24 93.572 1.305 3.896 1.00 0.00 O ATOM 182 CB SER A 24 94.853 -1.577 3.276 1.00 0.00 C ATOM 183 OG SER A 24 96.095 -1.932 2.693 1.00 0.00 O ATOM 0 H SER A 24 95.327 -2.179 5.635 1.00 0.00 H new ATOM 0 HA SER A 24 95.846 0.141 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 24 94.377 -2.464 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 24 94.185 -1.188 2.507 1.00 0.00 H new ATOM 0 HG SER A 24 96.501 -2.661 3.207 1.00 0.00 H new ATOM 189 N TYR A 25 92.871 -0.213 5.404 1.00 0.00 N ATOM 190 CA TYR A 25 91.615 0.456 5.667 1.00 0.00 C ATOM 191 C TYR A 25 91.872 1.899 6.077 1.00 0.00 C ATOM 192 O TYR A 25 91.118 2.806 5.725 1.00 0.00 O ATOM 193 CB TYR A 25 90.888 -0.295 6.772 1.00 0.00 C ATOM 194 CG TYR A 25 89.426 -0.545 6.481 1.00 0.00 C ATOM 195 CD1 TYR A 25 89.038 -1.497 5.546 1.00 0.00 C ATOM 196 CD2 TYR A 25 88.434 0.173 7.137 1.00 0.00 C ATOM 197 CE1 TYR A 25 87.703 -1.726 5.273 1.00 0.00 C ATOM 198 CE2 TYR A 25 87.097 -0.050 6.870 1.00 0.00 C ATOM 199 CZ TYR A 25 86.736 -1.000 5.937 1.00 0.00 C ATOM 200 OH TYR A 25 85.407 -1.225 5.668 1.00 0.00 O ATOM 0 H TYR A 25 93.010 -1.070 5.939 1.00 0.00 H new ATOM 0 HA TYR A 25 90.998 0.465 4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.385 -1.251 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 25 90.972 0.271 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.792 -2.067 5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 25 88.713 0.918 7.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 87.418 -2.470 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.338 0.517 7.389 1.00 0.00 H new ATOM 0 HH TYR A 25 84.856 -0.632 6.221 1.00 0.00 H new ATOM 210 N TRP A 26 92.961 2.094 6.812 1.00 0.00 N ATOM 211 CA TRP A 26 93.361 3.418 7.278 1.00 0.00 C ATOM 212 C TRP A 26 94.524 3.960 6.447 1.00 0.00 C ATOM 213 O TRP A 26 94.816 5.154 6.484 1.00 0.00 O ATOM 214 CB TRP A 26 93.760 3.353 8.756 1.00 0.00 C ATOM 215 CG TRP A 26 93.627 4.664 9.471 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.550 5.504 9.448 1.00 0.00 C ATOM 217 CD2 TRP A 26 94.605 5.287 10.312 1.00 0.00 C ATOM 218 NE1 TRP A 26 92.801 6.613 10.219 1.00 0.00 N ATOM 219 CE2 TRP A 26 94.054 6.502 10.763 1.00 0.00 C ATOM 220 CE3 TRP A 26 95.891 4.935 10.731 1.00 0.00 C ATOM 221 CZ2 TRP A 26 94.747 7.366 11.607 1.00 0.00 C ATOM 222 CZ3 TRP A 26 96.577 5.794 11.570 1.00 0.00 C ATOM 223 CH2 TRP A 26 96.003 6.996 12.000 1.00 0.00 C ATOM 0 H TRP A 26 93.589 1.344 7.101 1.00 0.00 H new ATOM 0 HA TRP A 26 92.513 4.093 7.163 1.00 0.00 H new ATOM 0 HB2 TRP A 26 93.141 2.610 9.259 1.00 0.00 H new ATOM 0 HB3 TRP A 26 94.792 3.011 8.831 1.00 0.00 H new ATOM 0 HD1 TRP A 26 91.635 5.323 8.903 1.00 0.00 H new ATOM 0 HE1 TRP A 26 92.159 7.392 10.363 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.341 4.009 10.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 94.308 8.295 11.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 97.572 5.533 11.899 1.00 0.00 H new ATOM 0 HH2 TRP A 26 96.564 7.645 12.656 1.00 0.00 H new ATOM 234 N GLU A 27 95.185 3.080 5.693 1.00 0.00 N ATOM 235 CA GLU A 27 96.311 3.492 4.860 1.00 0.00 C ATOM 236 C GLU A 27 95.870 4.506 3.811 1.00 0.00 C ATOM 237 O GLU A 27 96.601 5.448 3.501 1.00 0.00 O ATOM 238 CB GLU A 27 96.946 2.282 4.175 1.00 0.00 C ATOM 239 CG GLU A 27 98.303 2.576 3.555 1.00 0.00 C ATOM 240 CD GLU A 27 98.882 1.379 2.827 1.00 0.00 C ATOM 241 OE1 GLU A 27 98.485 1.142 1.667 1.00 0.00 O ATOM 242 OE2 GLU A 27 99.731 0.679 3.417 1.00 0.00 O ATOM 0 H GLU A 27 94.961 2.086 5.643 1.00 0.00 H new ATOM 0 HA GLU A 27 97.051 3.961 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.055 1.478 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.272 1.919 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 27 98.208 3.409 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.995 2.891 4.336 1.00 0.00 H new ATOM 249 N SER A 28 94.670 4.314 3.272 1.00 0.00 N ATOM 250 CA SER A 28 94.139 5.221 2.265 1.00 0.00 C ATOM 251 C SER A 28 93.963 6.613 2.850 1.00 0.00 C ATOM 252 O SER A 28 94.297 7.613 2.215 1.00 0.00 O ATOM 253 CB SER A 28 92.810 4.699 1.721 1.00 0.00 C ATOM 254 OG SER A 28 92.004 5.754 1.225 1.00 0.00 O ATOM 0 H SER A 28 94.050 3.541 3.516 1.00 0.00 H new ATOM 0 HA SER A 28 94.849 5.277 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 28 92.999 3.978 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.275 4.170 2.510 1.00 0.00 H new ATOM 0 HG SER A 28 91.162 5.389 0.883 1.00 0.00 H new ATOM 260 N ALA A 29 93.461 6.670 4.079 1.00 0.00 N ATOM 261 CA ALA A 29 93.275 7.942 4.758 1.00 0.00 C ATOM 262 C ALA A 29 94.624 8.617 4.942 1.00 0.00 C ATOM 263 O ALA A 29 94.733 9.843 4.921 1.00 0.00 O ATOM 264 CB ALA A 29 92.588 7.740 6.100 1.00 0.00 C ATOM 0 H ALA A 29 93.178 5.854 4.621 1.00 0.00 H new ATOM 0 HA ALA A 29 92.635 8.581 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 29 92.459 8.704 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 91.613 7.279 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 93.200 7.092 6.728 1.00 0.00 H new ATOM 270 N LYS A 30 95.655 7.792 5.095 1.00 0.00 N ATOM 271 CA LYS A 30 97.015 8.282 5.255 1.00 0.00 C ATOM 272 C LYS A 30 97.632 8.574 3.891 1.00 0.00 C ATOM 273 O LYS A 30 98.569 9.365 3.778 1.00 0.00 O ATOM 274 CB LYS A 30 97.868 7.256 6.005 1.00 0.00 C ATOM 275 CG LYS A 30 97.359 6.945 7.403 1.00 0.00 C ATOM 276 CD LYS A 30 98.195 5.867 8.074 1.00 0.00 C ATOM 277 CE LYS A 30 99.551 6.400 8.512 1.00 0.00 C ATOM 278 NZ LYS A 30 99.739 6.298 9.986 1.00 0.00 N ATOM 0 H LYS A 30 95.571 6.776 5.111 1.00 0.00 H new ATOM 0 HA LYS A 30 96.985 9.204 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 97.903 6.333 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 30 98.890 7.627 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.379 7.851 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 30 96.320 6.620 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 30 97.660 5.477 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.336 5.034 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 100.340 5.844 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 99.648 7.441 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.262 7.129 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.810 6.258 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.276 5.436 10.209 1.00 0.00 H new ATOM 292 N THR A 31 97.096 7.930 2.854 1.00 0.00 N ATOM 293 CA THR A 31 97.584 8.123 1.501 1.00 0.00 C ATOM 294 C THR A 31 97.313 9.546 1.034 1.00 0.00 C ATOM 295 O THR A 31 98.181 10.194 0.448 1.00 0.00 O ATOM 296 CB THR A 31 96.915 7.127 0.558 1.00 0.00 C ATOM 297 OG1 THR A 31 97.234 5.795 0.924 1.00 0.00 O ATOM 298 CG2 THR A 31 97.313 7.314 -0.885 1.00 0.00 C ATOM 0 H THR A 31 96.322 7.270 2.932 1.00 0.00 H new ATOM 0 HA THR A 31 98.661 7.954 1.492 1.00 0.00 H new ATOM 0 HB THR A 31 95.845 7.315 0.651 1.00 0.00 H new ATOM 0 HG1 THR A 31 96.965 5.638 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 31 96.802 6.575 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 31 97.034 8.315 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 31 98.391 7.187 -0.984 1.00 0.00 H new ATOM 306 N ALA A 32 96.105 10.034 1.305 1.00 0.00 N ATOM 307 CA ALA A 32 95.734 11.388 0.921 1.00 0.00 C ATOM 308 C ALA A 32 96.682 12.396 1.558 1.00 0.00 C ATOM 309 O ALA A 32 96.811 13.529 1.095 1.00 0.00 O ATOM 310 CB ALA A 32 94.295 11.679 1.320 1.00 0.00 C ATOM 0 H ALA A 32 95.372 9.513 1.786 1.00 0.00 H new ATOM 0 HA ALA A 32 95.813 11.477 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 32 94.034 12.696 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 32 93.630 10.975 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 32 94.189 11.576 2.400 1.00 0.00 H new ATOM 316 N ALA A 33 97.356 11.963 2.620 1.00 0.00 N ATOM 317 CA ALA A 33 98.310 12.809 3.321 1.00 0.00 C ATOM 318 C ALA A 33 99.673 12.742 2.646 1.00 0.00 C ATOM 319 O ALA A 33 100.452 13.694 2.699 1.00 0.00 O ATOM 320 CB ALA A 33 98.418 12.389 4.779 1.00 0.00 C ATOM 0 H ALA A 33 97.257 11.027 3.013 1.00 0.00 H new ATOM 0 HA ALA A 33 97.955 13.839 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 33 99.135 13.031 5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 33 97.443 12.481 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 98.753 11.353 4.835 1.00 0.00 H new ATOM 326 N GLN A 34 99.953 11.611 2.004 1.00 0.00 N ATOM 327 CA GLN A 34 101.219 11.419 1.310 1.00 0.00 C ATOM 328 C GLN A 34 101.310 12.342 0.101 1.00 0.00 C ATOM 329 O GLN A 34 102.381 12.856 -0.223 1.00 0.00 O ATOM 330 CB GLN A 34 101.367 9.960 0.873 1.00 0.00 C ATOM 331 CG GLN A 34 102.124 9.101 1.872 1.00 0.00 C ATOM 332 CD GLN A 34 101.962 7.617 1.608 1.00 0.00 C ATOM 333 OE1 GLN A 34 101.573 7.209 0.513 1.00 0.00 O ATOM 334 NE2 GLN A 34 102.258 6.801 2.612 1.00 0.00 N ATOM 0 H GLN A 34 99.318 10.814 1.951 1.00 0.00 H new ATOM 0 HA GLN A 34 102.030 11.665 1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 34 100.376 9.534 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 34 101.883 9.927 -0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 34 103.183 9.359 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 34 101.773 9.327 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 34 102.577 7.183 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 34 102.167 5.792 2.493 1.00 0.00 H new ATOM 343 N ASN A 35 100.175 12.554 -0.562 1.00 0.00 N ATOM 344 CA ASN A 35 100.112 13.418 -1.729 1.00 0.00 C ATOM 345 C ASN A 35 100.676 14.799 -1.412 1.00 0.00 C ATOM 346 O ASN A 35 101.658 15.231 -2.014 1.00 0.00 O ATOM 347 CB ASN A 35 98.665 13.527 -2.191 1.00 0.00 C ATOM 348 CG ASN A 35 98.533 13.441 -3.698 1.00 0.00 C ATOM 349 OD1 ASN A 35 99.001 12.487 -4.320 1.00 0.00 O ATOM 350 ND2 ASN A 35 97.898 14.443 -4.295 1.00 0.00 N ATOM 0 H ASN A 35 99.282 12.133 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 35 100.717 12.987 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 35 98.079 12.731 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 35 98.246 14.472 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 35 97.782 14.442 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 35 97.526 15.214 -3.740 1.00 0.00 H new ATOM 357 N LEU A 36 100.059 15.481 -0.452 1.00 0.00 N ATOM 358 CA LEU A 36 100.508 16.797 -0.042 1.00 0.00 C ATOM 359 C LEU A 36 101.948 16.727 0.458 1.00 0.00 C ATOM 360 O LEU A 36 102.706 17.691 0.354 1.00 0.00 O ATOM 361 CB LEU A 36 99.582 17.306 1.051 1.00 0.00 C ATOM 362 CG LEU A 36 99.080 18.740 0.868 1.00 0.00 C ATOM 363 CD1 LEU A 36 98.160 18.832 -0.340 1.00 0.00 C ATOM 364 CD2 LEU A 36 98.365 19.217 2.122 1.00 0.00 C ATOM 0 H LEU A 36 99.243 15.138 0.055 1.00 0.00 H new ATOM 0 HA LEU A 36 100.480 17.483 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 98.720 16.642 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.104 17.240 2.006 1.00 0.00 H new ATOM 0 HG LEU A 36 99.940 19.388 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 97.812 19.859 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 36 98.704 18.530 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 36 97.304 18.173 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 98.014 20.239 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 36 97.514 18.567 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 99.053 19.188 2.967 1.00 0.00 H new ATOM 376 N TYR A 37 102.313 15.561 0.986 1.00 0.00 N ATOM 377 CA TYR A 37 103.658 15.322 1.500 1.00 0.00 C ATOM 378 C TYR A 37 104.628 14.982 0.367 1.00 0.00 C ATOM 379 O TYR A 37 105.781 14.636 0.617 1.00 0.00 O ATOM 380 CB TYR A 37 103.623 14.170 2.501 1.00 0.00 C ATOM 381 CG TYR A 37 103.778 14.616 3.935 1.00 0.00 C ATOM 382 CD1 TYR A 37 102.789 15.365 4.559 1.00 0.00 C ATOM 383 CD2 TYR A 37 104.920 14.300 4.661 1.00 0.00 C ATOM 384 CE1 TYR A 37 102.931 15.783 5.869 1.00 0.00 C ATOM 385 CE2 TYR A 37 105.070 14.716 5.970 1.00 0.00 C ATOM 386 CZ TYR A 37 104.074 15.457 6.569 1.00 0.00 C ATOM 387 OH TYR A 37 104.220 15.873 7.872 1.00 0.00 O ATOM 0 H TYR A 37 101.688 14.759 1.069 1.00 0.00 H new ATOM 0 HA TYR A 37 104.005 16.232 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 37 102.679 13.635 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 37 104.418 13.465 2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 37 101.895 15.625 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 37 105.703 13.720 4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 37 102.151 16.362 6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 37 105.963 14.462 6.521 1.00 0.00 H new ATOM 0 HH TYR A 37 105.080 15.559 8.221 1.00 0.00 H new ATOM 397 N GLU A 38 104.142 15.066 -0.870 1.00 0.00 N ATOM 398 CA GLU A 38 104.944 14.760 -2.051 1.00 0.00 C ATOM 399 C GLU A 38 105.472 13.331 -1.994 1.00 0.00 C ATOM 400 O GLU A 38 106.573 13.040 -2.461 1.00 0.00 O ATOM 401 CB GLU A 38 106.088 15.774 -2.218 1.00 0.00 C ATOM 402 CG GLU A 38 107.281 15.556 -1.295 1.00 0.00 C ATOM 403 CD GLU A 38 108.570 16.111 -1.871 1.00 0.00 C ATOM 404 OE1 GLU A 38 108.706 16.129 -3.112 1.00 0.00 O ATOM 405 OE2 GLU A 38 109.441 16.527 -1.080 1.00 0.00 O ATOM 0 H GLU A 38 103.184 15.347 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 38 104.301 14.841 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 106.436 15.740 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 38 105.694 16.776 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.083 16.029 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 38 107.401 14.489 -1.107 1.00 0.00 H new ATOM 412 N LYS A 39 104.663 12.439 -1.429 1.00 0.00 N ATOM 413 CA LYS A 39 105.029 11.033 -1.315 1.00 0.00 C ATOM 414 C LYS A 39 104.205 10.189 -2.280 1.00 0.00 C ATOM 415 O LYS A 39 104.681 9.182 -2.805 1.00 0.00 O ATOM 416 CB LYS A 39 104.817 10.539 0.118 1.00 0.00 C ATOM 417 CG LYS A 39 105.580 11.340 1.159 1.00 0.00 C ATOM 418 CD LYS A 39 106.969 10.767 1.394 1.00 0.00 C ATOM 419 CE LYS A 39 106.957 9.703 2.480 1.00 0.00 C ATOM 420 NZ LYS A 39 108.269 9.603 3.178 1.00 0.00 N ATOM 0 H LYS A 39 103.747 12.667 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 39 106.084 10.933 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 39 103.753 10.576 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.121 9.494 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.663 12.377 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.024 11.344 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 39 107.348 10.337 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 39 107.651 11.569 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 39 106.177 9.934 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 106.706 8.738 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 108.217 8.866 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 109.010 9.357 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 108.497 10.516 3.621 1.00 0.00 H new ATOM 434 N THR A 40 102.965 10.611 -2.509 1.00 0.00 N ATOM 435 CA THR A 40 102.064 9.904 -3.407 1.00 0.00 C ATOM 436 C THR A 40 101.809 10.716 -4.678 1.00 0.00 C ATOM 437 O THR A 40 101.386 10.169 -5.697 1.00 0.00 O ATOM 438 CB THR A 40 100.743 9.615 -2.690 1.00 0.00 C ATOM 439 OG1 THR A 40 100.925 8.639 -1.681 1.00 0.00 O ATOM 440 CG2 THR A 40 99.652 9.120 -3.613 1.00 0.00 C ATOM 0 H THR A 40 102.561 11.444 -2.081 1.00 0.00 H new ATOM 0 HA THR A 40 102.531 8.963 -3.696 1.00 0.00 H new ATOM 0 HB THR A 40 100.431 10.570 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 40 100.247 7.938 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 40 98.745 8.935 -3.038 1.00 0.00 H new ATOM 0 HG22 THR A 40 99.451 9.872 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 40 99.972 8.195 -4.092 1.00 0.00 H new ATOM 448 N TYR A 41 102.062 12.022 -4.611 1.00 0.00 N ATOM 449 CA TYR A 41 101.859 12.902 -5.755 1.00 0.00 C ATOM 450 C TYR A 41 102.614 12.393 -6.979 1.00 0.00 C ATOM 451 O TYR A 41 102.178 12.585 -8.113 1.00 0.00 O ATOM 452 CB TYR A 41 102.316 14.319 -5.406 1.00 0.00 C ATOM 453 CG TYR A 41 101.374 15.405 -5.879 1.00 0.00 C ATOM 454 CD1 TYR A 41 101.331 15.781 -7.216 1.00 0.00 C ATOM 455 CD2 TYR A 41 100.536 16.062 -4.986 1.00 0.00 C ATOM 456 CE1 TYR A 41 100.480 16.780 -7.650 1.00 0.00 C ATOM 457 CE2 TYR A 41 99.683 17.063 -5.412 1.00 0.00 C ATOM 458 CZ TYR A 41 99.658 17.418 -6.744 1.00 0.00 C ATOM 459 OH TYR A 41 98.810 18.414 -7.171 1.00 0.00 O ATOM 0 H TYR A 41 102.408 12.492 -3.775 1.00 0.00 H new ATOM 0 HA TYR A 41 100.796 12.914 -5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 41 102.430 14.397 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 41 103.300 14.490 -5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 41 101.973 15.284 -7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 41 100.551 15.786 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 41 100.459 17.060 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 41 99.039 17.565 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 41 98.300 18.759 -6.408 1.00 0.00 H new ATOM 469 N LEU A 42 103.745 11.738 -6.739 1.00 0.00 N ATOM 470 CA LEU A 42 104.557 11.196 -7.822 1.00 0.00 C ATOM 471 C LEU A 42 104.158 9.751 -8.121 1.00 0.00 C ATOM 472 O LEU A 42 103.994 8.946 -7.204 1.00 0.00 O ATOM 473 CB LEU A 42 106.043 11.268 -7.457 1.00 0.00 C ATOM 474 CG LEU A 42 106.846 12.327 -8.218 1.00 0.00 C ATOM 475 CD1 LEU A 42 107.501 13.302 -7.250 1.00 0.00 C ATOM 476 CD2 LEU A 42 107.894 11.669 -9.104 1.00 0.00 C ATOM 0 H LEU A 42 104.120 11.570 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 42 104.384 11.795 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 42 106.130 11.466 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 42 106.494 10.292 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 42 106.159 12.885 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 42 108.067 14.046 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 42 106.732 13.800 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 108.174 12.759 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 42 108.454 12.437 -9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 108.576 11.084 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 42 107.403 11.014 -9.823 1.00 0.00 H new ATOM 488 N PRO A 43 103.993 9.399 -9.409 1.00 0.00 N ATOM 489 CA PRO A 43 103.610 8.044 -9.808 1.00 0.00 C ATOM 490 C PRO A 43 104.774 7.060 -9.727 1.00 0.00 C ATOM 491 O PRO A 43 105.119 6.408 -10.713 1.00 0.00 O ATOM 492 CB PRO A 43 103.156 8.222 -11.256 1.00 0.00 C ATOM 493 CG PRO A 43 103.942 9.385 -11.758 1.00 0.00 C ATOM 494 CD PRO A 43 104.165 10.291 -10.574 1.00 0.00 C ATOM 0 HA PRO A 43 102.845 7.626 -9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 43 103.353 7.327 -11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 43 102.084 8.413 -11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 104.892 9.058 -12.181 1.00 0.00 H new ATOM 0 HG3 PRO A 43 103.403 9.906 -12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 43 105.160 10.736 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 43 103.448 11.112 -10.558 1.00 0.00 H new ATOM 502 N ALA A 44 105.377 6.957 -8.545 1.00 0.00 N ATOM 503 CA ALA A 44 106.501 6.053 -8.329 1.00 0.00 C ATOM 504 C ALA A 44 107.543 6.185 -9.437 1.00 0.00 C ATOM 505 O ALA A 44 108.173 5.202 -9.828 1.00 0.00 O ATOM 506 CB ALA A 44 106.011 4.617 -8.234 1.00 0.00 C ATOM 0 H ALA A 44 105.104 7.491 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 44 106.977 6.329 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 44 106.860 3.953 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 44 105.315 4.525 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.507 4.343 -9.160 1.00 0.00 H new ATOM 512 N VAL A 45 107.717 7.403 -9.940 1.00 0.00 N ATOM 513 CA VAL A 45 108.680 7.661 -11.005 1.00 0.00 C ATOM 514 C VAL A 45 110.081 7.206 -10.605 1.00 0.00 C ATOM 515 O VAL A 45 110.918 6.922 -11.461 1.00 0.00 O ATOM 516 CB VAL A 45 108.726 9.158 -11.376 1.00 0.00 C ATOM 517 CG1 VAL A 45 109.662 9.391 -12.552 1.00 0.00 C ATOM 518 CG2 VAL A 45 107.330 9.673 -11.687 1.00 0.00 C ATOM 0 H VAL A 45 107.204 8.227 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 45 108.348 7.090 -11.872 1.00 0.00 H new ATOM 0 HB VAL A 45 109.112 9.713 -10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 45 109.680 10.453 -12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 45 110.667 9.062 -12.288 1.00 0.00 H new ATOM 0 HG13 VAL A 45 109.310 8.825 -13.415 1.00 0.00 H new ATOM 0 HG21 VAL A 45 107.382 10.730 -11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 45 106.914 9.114 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 45 106.692 9.545 -10.813 1.00 0.00 H new ATOM 528 N ASP A 46 110.330 7.142 -9.301 1.00 0.00 N ATOM 529 CA ASP A 46 111.630 6.721 -8.793 1.00 0.00 C ATOM 530 C ASP A 46 111.861 5.237 -9.059 1.00 0.00 C ATOM 531 O ASP A 46 112.744 4.865 -9.829 1.00 0.00 O ATOM 532 CB ASP A 46 111.732 7.006 -7.294 1.00 0.00 C ATOM 533 CG ASP A 46 113.126 7.435 -6.880 1.00 0.00 C ATOM 534 OD1 ASP A 46 113.992 6.550 -6.707 1.00 0.00 O ATOM 535 OD2 ASP A 46 113.352 8.653 -6.730 1.00 0.00 O ATOM 0 H ASP A 46 109.650 7.376 -8.578 1.00 0.00 H new ATOM 0 HA ASP A 46 112.399 7.290 -9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 46 111.020 7.787 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 46 111.450 6.113 -6.737 1.00 0.00 H new ATOM 540 N GLU A 47 111.062 4.395 -8.411 1.00 0.00 N ATOM 541 CA GLU A 47 111.180 2.950 -8.572 1.00 0.00 C ATOM 542 C GLU A 47 110.994 2.541 -10.030 1.00 0.00 C ATOM 543 O GLU A 47 111.718 1.686 -10.539 1.00 0.00 O ATOM 544 CB GLU A 47 110.154 2.229 -7.700 1.00 0.00 C ATOM 545 CG GLU A 47 110.215 2.626 -6.233 1.00 0.00 C ATOM 546 CD GLU A 47 108.861 2.556 -5.555 1.00 0.00 C ATOM 547 OE1 GLU A 47 108.026 1.730 -5.979 1.00 0.00 O ATOM 548 OE2 GLU A 47 108.635 3.329 -4.600 1.00 0.00 O ATOM 0 H GLU A 47 110.326 4.689 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 47 112.183 2.663 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 47 109.155 2.436 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 47 110.310 1.154 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 110.913 1.971 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 47 110.607 3.640 -6.150 1.00 0.00 H new ATOM 555 N LYS A 48 110.022 3.156 -10.701 1.00 0.00 N ATOM 556 CA LYS A 48 109.755 2.850 -12.103 1.00 0.00 C ATOM 557 C LYS A 48 111.042 2.927 -12.915 1.00 0.00 C ATOM 558 O LYS A 48 111.247 2.158 -13.855 1.00 0.00 O ATOM 559 CB LYS A 48 108.715 3.818 -12.675 1.00 0.00 C ATOM 560 CG LYS A 48 107.533 3.125 -13.334 1.00 0.00 C ATOM 561 CD LYS A 48 106.290 3.999 -13.307 1.00 0.00 C ATOM 562 CE LYS A 48 106.426 5.187 -14.247 1.00 0.00 C ATOM 563 NZ LYS A 48 105.400 6.230 -13.976 1.00 0.00 N ATOM 0 H LYS A 48 109.410 3.865 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 48 109.359 1.836 -12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 48 108.348 4.459 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 48 109.198 4.467 -13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 107.783 2.878 -14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 48 107.329 2.185 -12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 105.420 3.406 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 106.116 4.355 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 48 107.421 5.621 -14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 48 106.334 4.846 -15.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 105.713 7.137 -14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 104.498 5.951 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 105.271 6.331 -12.949 1.00 0.00 H new ATOM 577 N LEU A 49 111.911 3.855 -12.531 1.00 0.00 N ATOM 578 CA LEU A 49 113.189 4.040 -13.207 1.00 0.00 C ATOM 579 C LEU A 49 114.311 3.334 -12.451 1.00 0.00 C ATOM 580 O LEU A 49 115.359 3.029 -13.023 1.00 0.00 O ATOM 581 CB LEU A 49 113.508 5.531 -13.337 1.00 0.00 C ATOM 582 CG LEU A 49 112.996 6.191 -14.619 1.00 0.00 C ATOM 583 CD1 LEU A 49 113.292 7.683 -14.607 1.00 0.00 C ATOM 584 CD2 LEU A 49 113.620 5.531 -15.838 1.00 0.00 C ATOM 0 H LEU A 49 111.752 4.493 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 49 113.113 3.602 -14.202 1.00 0.00 H new ATOM 0 HB2 LEU A 49 113.082 6.055 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 49 114.589 5.662 -13.285 1.00 0.00 H new ATOM 0 HG LEU A 49 111.915 6.058 -14.669 1.00 0.00 H new ATOM 0 HD11 LEU A 49 112.921 8.135 -15.527 1.00 0.00 H new ATOM 0 HD12 LEU A 49 112.800 8.145 -13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 49 114.368 7.840 -14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 49 113.247 6.011 -16.743 1.00 0.00 H new ATOM 0 HD22 LEU A 49 114.704 5.635 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU A 49 113.357 4.473 -15.853 1.00 0.00 H new ATOM 596 N ARG A 50 114.091 3.074 -11.162 1.00 0.00 N ATOM 597 CA ARG A 50 115.093 2.404 -10.340 1.00 0.00 C ATOM 598 C ARG A 50 114.806 0.910 -10.228 1.00 0.00 C ATOM 599 O ARG A 50 115.324 0.236 -9.338 1.00 0.00 O ATOM 600 CB ARG A 50 115.144 3.033 -8.944 1.00 0.00 C ATOM 601 CG ARG A 50 116.536 3.481 -8.529 1.00 0.00 C ATOM 602 CD ARG A 50 117.044 2.696 -7.331 1.00 0.00 C ATOM 603 NE ARG A 50 116.523 3.220 -6.071 1.00 0.00 N ATOM 604 CZ ARG A 50 116.972 4.329 -5.487 1.00 0.00 C ATOM 605 NH1 ARG A 50 117.947 5.035 -6.048 1.00 0.00 N ATOM 606 NH2 ARG A 50 116.446 4.734 -4.340 1.00 0.00 N ATOM 0 H ARG A 50 113.232 3.317 -10.669 1.00 0.00 H new ATOM 0 HA ARG A 50 116.061 2.530 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 50 114.472 3.891 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 50 114.771 2.312 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 50 117.224 3.355 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.520 4.544 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 50 116.756 1.650 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 50 118.133 2.727 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 50 115.771 2.706 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 118.356 4.728 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 50 118.287 5.884 -5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.697 4.196 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.790 5.584 -3.893 1.00 0.00 H new ATOM 620 N ASP A 51 113.987 0.394 -11.139 1.00 0.00 N ATOM 621 CA ASP A 51 113.645 -1.023 -11.137 1.00 0.00 C ATOM 622 C ASP A 51 114.440 -1.765 -12.202 1.00 0.00 C ATOM 623 O ASP A 51 114.965 -2.848 -11.954 1.00 0.00 O ATOM 624 CB ASP A 51 112.146 -1.213 -11.376 1.00 0.00 C ATOM 625 CG ASP A 51 111.384 -1.464 -10.092 1.00 0.00 C ATOM 626 OD1 ASP A 51 111.300 -0.537 -9.259 1.00 0.00 O ATOM 627 OD2 ASP A 51 110.869 -2.589 -9.917 1.00 0.00 O ATOM 0 H ASP A 51 113.549 0.934 -11.885 1.00 0.00 H new ATOM 0 HA ASP A 51 113.899 -1.434 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 51 111.744 -0.327 -11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.993 -2.051 -12.056 1.00 0.00 H new ATOM 632 N LEU A 52 114.527 -1.173 -13.390 1.00 0.00 N ATOM 633 CA LEU A 52 115.266 -1.779 -14.493 1.00 0.00 C ATOM 634 C LEU A 52 116.692 -2.103 -14.066 1.00 0.00 C ATOM 635 O LEU A 52 117.209 -3.185 -14.346 1.00 0.00 O ATOM 636 CB LEU A 52 115.280 -0.840 -15.701 1.00 0.00 C ATOM 637 CG LEU A 52 115.492 0.641 -15.367 1.00 0.00 C ATOM 638 CD1 LEU A 52 116.770 1.158 -16.009 1.00 0.00 C ATOM 639 CD2 LEU A 52 114.295 1.468 -15.818 1.00 0.00 C ATOM 0 H LEU A 52 114.096 -0.276 -13.613 1.00 0.00 H new ATOM 0 HA LEU A 52 114.767 -2.707 -14.773 1.00 0.00 H new ATOM 0 HB2 LEU A 52 116.069 -1.160 -16.382 1.00 0.00 H new ATOM 0 HB3 LEU A 52 114.336 -0.945 -16.235 1.00 0.00 H new ATOM 0 HG LEU A 52 115.589 0.737 -14.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 116.902 2.211 -15.760 1.00 0.00 H new ATOM 0 HD12 LEU A 52 117.621 0.587 -15.637 1.00 0.00 H new ATOM 0 HD13 LEU A 52 116.704 1.047 -17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 52 114.464 2.516 -15.572 1.00 0.00 H new ATOM 0 HD22 LEU A 52 114.166 1.364 -16.895 1.00 0.00 H new ATOM 0 HD23 LEU A 52 113.397 1.116 -15.309 1.00 0.00 H new ATOM 651 N TYR A 53 117.314 -1.157 -13.375 1.00 0.00 N ATOM 652 CA TYR A 53 118.677 -1.324 -12.892 1.00 0.00 C ATOM 653 C TYR A 53 118.746 -2.411 -11.827 1.00 0.00 C ATOM 654 O TYR A 53 119.550 -3.340 -11.915 1.00 0.00 O ATOM 655 CB TYR A 53 119.177 -0.009 -12.300 1.00 0.00 C ATOM 656 CG TYR A 53 120.651 0.229 -12.523 1.00 0.00 C ATOM 657 CD1 TYR A 53 121.600 -0.645 -12.009 1.00 0.00 C ATOM 658 CD2 TYR A 53 121.094 1.321 -13.258 1.00 0.00 C ATOM 659 CE1 TYR A 53 122.949 -0.438 -12.221 1.00 0.00 C ATOM 660 CE2 TYR A 53 122.443 1.536 -13.473 1.00 0.00 C ATOM 661 CZ TYR A 53 123.365 0.654 -12.953 1.00 0.00 C ATOM 662 OH TYR A 53 124.708 0.864 -13.167 1.00 0.00 O ATOM 0 H TYR A 53 116.892 -0.260 -13.135 1.00 0.00 H new ATOM 0 HA TYR A 53 119.305 -1.617 -13.734 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.614 0.815 -12.738 1.00 0.00 H new ATOM 0 HB3 TYR A 53 118.974 -0.001 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 53 121.278 -1.501 -11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 53 120.374 2.013 -13.668 1.00 0.00 H new ATOM 0 HE1 TYR A 53 123.674 -1.128 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 53 122.772 2.391 -14.045 1.00 0.00 H new ATOM 0 HH TYR A 53 124.831 1.676 -13.702 1.00 0.00 H new ATOM 672 N SER A 54 117.902 -2.271 -10.811 1.00 0.00 N ATOM 673 CA SER A 54 117.859 -3.218 -9.696 1.00 0.00 C ATOM 674 C SER A 54 117.246 -4.555 -10.076 1.00 0.00 C ATOM 675 O SER A 54 117.041 -5.413 -9.217 1.00 0.00 O ATOM 676 CB SER A 54 117.094 -2.606 -8.521 1.00 0.00 C ATOM 677 OG SER A 54 115.748 -2.339 -8.871 1.00 0.00 O ATOM 0 H SER A 54 117.232 -1.506 -10.734 1.00 0.00 H new ATOM 0 HA SER A 54 118.892 -3.415 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 54 117.123 -3.287 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 54 117.581 -1.683 -8.207 1.00 0.00 H new ATOM 0 HG SER A 54 115.549 -1.393 -8.708 1.00 0.00 H new ATOM 683 N LYS A 55 116.983 -4.749 -11.351 1.00 0.00 N ATOM 684 CA LYS A 55 116.432 -6.012 -11.814 1.00 0.00 C ATOM 685 C LYS A 55 117.165 -6.507 -13.054 1.00 0.00 C ATOM 686 O LYS A 55 116.997 -7.657 -13.460 1.00 0.00 O ATOM 687 CB LYS A 55 114.932 -5.900 -12.092 1.00 0.00 C ATOM 688 CG LYS A 55 114.063 -6.259 -10.897 1.00 0.00 C ATOM 689 CD LYS A 55 113.281 -7.541 -11.139 1.00 0.00 C ATOM 690 CE LYS A 55 112.409 -7.899 -9.946 1.00 0.00 C ATOM 691 NZ LYS A 55 112.657 -9.290 -9.476 1.00 0.00 N ATOM 0 H LYS A 55 117.139 -4.056 -12.083 1.00 0.00 H new ATOM 0 HA LYS A 55 116.574 -6.740 -11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 55 114.704 -4.881 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.676 -6.553 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 55 114.689 -6.376 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 55 113.370 -5.443 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 55 112.657 -7.425 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 55 113.974 -8.358 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 55 112.603 -7.201 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 111.359 -7.789 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 112.044 -9.496 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 112.448 -9.959 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 113.653 -9.388 -9.193 1.00 0.00 H new ATOM 705 N SER A 56 118.017 -5.656 -13.630 1.00 0.00 N ATOM 706 CA SER A 56 118.803 -6.053 -14.790 1.00 0.00 C ATOM 707 C SER A 56 119.502 -7.361 -14.459 1.00 0.00 C ATOM 708 O SER A 56 119.704 -8.224 -15.312 1.00 0.00 O ATOM 709 CB SER A 56 119.831 -4.973 -15.124 1.00 0.00 C ATOM 710 OG SER A 56 120.751 -5.428 -16.101 1.00 0.00 O ATOM 0 H SER A 56 118.176 -4.699 -13.314 1.00 0.00 H new ATOM 0 HA SER A 56 118.156 -6.182 -15.658 1.00 0.00 H new ATOM 0 HB2 SER A 56 119.321 -4.081 -15.488 1.00 0.00 H new ATOM 0 HB3 SER A 56 120.368 -4.686 -14.220 1.00 0.00 H new ATOM 0 HG SER A 56 121.397 -4.718 -16.298 1.00 0.00 H new ATOM 716 N THR A 57 119.836 -7.486 -13.180 1.00 0.00 N ATOM 717 CA THR A 57 120.485 -8.666 -12.648 1.00 0.00 C ATOM 718 C THR A 57 120.013 -8.930 -11.213 1.00 0.00 C ATOM 719 O THR A 57 120.391 -9.936 -10.611 1.00 0.00 O ATOM 720 CB THR A 57 122.007 -8.488 -12.681 1.00 0.00 C ATOM 721 OG1 THR A 57 122.481 -8.495 -14.014 1.00 0.00 O ATOM 722 CG2 THR A 57 122.760 -9.560 -11.919 1.00 0.00 C ATOM 0 H THR A 57 119.660 -6.763 -12.482 1.00 0.00 H new ATOM 0 HA THR A 57 120.217 -9.523 -13.266 1.00 0.00 H new ATOM 0 HB THR A 57 122.193 -7.529 -12.197 1.00 0.00 H new ATOM 0 HG1 THR A 57 123.454 -8.379 -14.016 1.00 0.00 H new ATOM 0 HG21 THR A 57 123.831 -9.370 -11.986 1.00 0.00 H new ATOM 0 HG22 THR A 57 122.454 -9.546 -10.873 1.00 0.00 H new ATOM 0 HG23 THR A 57 122.538 -10.536 -12.349 1.00 0.00 H new ATOM 730 N ALA A 58 119.205 -8.015 -10.651 1.00 0.00 N ATOM 731 CA ALA A 58 118.730 -8.169 -9.281 1.00 0.00 C ATOM 732 C ALA A 58 119.885 -7.906 -8.344 1.00 0.00 C ATOM 733 O ALA A 58 120.090 -8.611 -7.356 1.00 0.00 O ATOM 734 CB ALA A 58 118.148 -9.557 -9.054 1.00 0.00 C ATOM 0 H ALA A 58 118.875 -7.174 -11.124 1.00 0.00 H new ATOM 0 HA ALA A 58 117.930 -7.454 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 58 117.802 -9.642 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 58 117.310 -9.716 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 58 118.915 -10.308 -9.243 1.00 0.00 H new ATOM 740 N ALA A 59 120.646 -6.880 -8.689 1.00 0.00 N ATOM 741 CA ALA A 59 121.817 -6.495 -7.910 1.00 0.00 C ATOM 742 C ALA A 59 121.520 -5.317 -6.996 1.00 0.00 C ATOM 743 O ALA A 59 122.114 -5.186 -5.925 1.00 0.00 O ATOM 744 CB ALA A 59 122.978 -6.169 -8.838 1.00 0.00 C ATOM 0 H ALA A 59 120.475 -6.295 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 59 122.091 -7.339 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 123.847 -5.883 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 59 123.221 -7.045 -9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 59 122.699 -5.345 -9.495 1.00 0.00 H new ATOM 750 N MET A 60 120.604 -4.457 -7.420 1.00 0.00 N ATOM 751 CA MET A 60 120.245 -3.287 -6.623 1.00 0.00 C ATOM 752 C MET A 60 118.868 -3.446 -5.978 1.00 0.00 C ATOM 753 O MET A 60 118.403 -2.554 -5.268 1.00 0.00 O ATOM 754 CB MET A 60 120.279 -2.026 -7.487 1.00 0.00 C ATOM 755 CG MET A 60 121.578 -1.849 -8.254 1.00 0.00 C ATOM 756 SD MET A 60 122.770 -0.820 -7.375 1.00 0.00 S ATOM 757 CE MET A 60 122.504 0.760 -8.175 1.00 0.00 C ATOM 0 H MET A 60 120.099 -4.544 -8.302 1.00 0.00 H new ATOM 0 HA MET A 60 120.980 -3.194 -5.823 1.00 0.00 H new ATOM 0 HB2 MET A 60 119.451 -2.058 -8.195 1.00 0.00 H new ATOM 0 HB3 MET A 60 120.121 -1.155 -6.851 1.00 0.00 H new ATOM 0 HG2 MET A 60 122.019 -2.827 -8.444 1.00 0.00 H new ATOM 0 HG3 MET A 60 121.364 -1.402 -9.225 1.00 0.00 H new ATOM 0 HE1 MET A 60 123.170 1.505 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 60 122.710 0.667 -9.241 1.00 0.00 H new ATOM 0 HE3 MET A 60 121.469 1.071 -8.031 1.00 0.00 H new ATOM 767 N SER A 61 118.219 -4.582 -6.225 1.00 0.00 N ATOM 768 CA SER A 61 116.898 -4.844 -5.659 1.00 0.00 C ATOM 769 C SER A 61 116.998 -5.796 -4.473 1.00 0.00 C ATOM 770 O SER A 61 116.238 -5.689 -3.513 1.00 0.00 O ATOM 771 CB SER A 61 115.966 -5.436 -6.719 1.00 0.00 C ATOM 772 OG SER A 61 114.707 -5.772 -6.161 1.00 0.00 O ATOM 0 H SER A 61 118.585 -5.333 -6.811 1.00 0.00 H new ATOM 0 HA SER A 61 116.486 -3.895 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.829 -4.719 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 116.423 -6.325 -7.154 1.00 0.00 H new ATOM 0 HG SER A 61 114.130 -6.147 -6.859 1.00 0.00 H new ATOM 778 N THR A 62 117.940 -6.729 -4.547 1.00 0.00 N ATOM 779 CA THR A 62 118.135 -7.695 -3.475 1.00 0.00 C ATOM 780 C THR A 62 118.476 -6.990 -2.165 1.00 0.00 C ATOM 781 O THR A 62 118.023 -7.393 -1.094 1.00 0.00 O ATOM 782 CB THR A 62 119.247 -8.679 -3.842 1.00 0.00 C ATOM 783 OG1 THR A 62 118.954 -9.331 -5.064 1.00 0.00 O ATOM 784 CG2 THR A 62 119.474 -9.746 -2.794 1.00 0.00 C ATOM 0 H THR A 62 118.578 -6.836 -5.335 1.00 0.00 H new ATOM 0 HA THR A 62 117.203 -8.245 -3.341 1.00 0.00 H new ATOM 0 HB THR A 62 120.151 -8.076 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 62 119.273 -8.783 -5.812 1.00 0.00 H new ATOM 0 HG21 THR A 62 120.276 -10.410 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 62 119.751 -9.276 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 62 118.559 -10.322 -2.657 1.00 0.00 H new ATOM 792 N TYR A 63 119.281 -5.935 -2.261 1.00 0.00 N ATOM 793 CA TYR A 63 119.694 -5.173 -1.098 1.00 0.00 C ATOM 794 C TYR A 63 118.607 -4.205 -0.648 1.00 0.00 C ATOM 795 O TYR A 63 118.491 -3.900 0.539 1.00 0.00 O ATOM 796 CB TYR A 63 120.948 -4.397 -1.448 1.00 0.00 C ATOM 797 CG TYR A 63 122.132 -4.719 -0.565 1.00 0.00 C ATOM 798 CD1 TYR A 63 122.692 -5.990 -0.557 1.00 0.00 C ATOM 799 CD2 TYR A 63 122.688 -3.752 0.263 1.00 0.00 C ATOM 800 CE1 TYR A 63 123.771 -6.290 0.253 1.00 0.00 C ATOM 801 CE2 TYR A 63 123.768 -4.043 1.075 1.00 0.00 C ATOM 802 CZ TYR A 63 124.306 -5.313 1.066 1.00 0.00 C ATOM 803 OH TYR A 63 125.380 -5.607 1.875 1.00 0.00 O ATOM 0 H TYR A 63 119.660 -5.590 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 63 119.884 -5.865 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.214 -4.603 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 63 120.735 -3.330 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 63 122.277 -6.757 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 63 122.269 -2.756 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 63 124.193 -7.284 0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 63 124.188 -3.280 1.713 1.00 0.00 H new ATOM 0 HH TYR A 63 125.635 -4.809 2.383 1.00 0.00 H new ATOM 813 N THR A 64 117.812 -3.720 -1.599 1.00 0.00 N ATOM 814 CA THR A 64 116.735 -2.784 -1.285 1.00 0.00 C ATOM 815 C THR A 64 115.852 -3.357 -0.186 1.00 0.00 C ATOM 816 O THR A 64 115.203 -2.623 0.559 1.00 0.00 O ATOM 817 CB THR A 64 115.908 -2.462 -2.539 1.00 0.00 C ATOM 818 OG1 THR A 64 115.271 -1.204 -2.404 1.00 0.00 O ATOM 819 CG2 THR A 64 114.833 -3.485 -2.852 1.00 0.00 C ATOM 0 H THR A 64 117.892 -3.958 -2.588 1.00 0.00 H new ATOM 0 HA THR A 64 117.175 -1.853 -0.929 1.00 0.00 H new ATOM 0 HB THR A 64 116.628 -2.467 -3.357 1.00 0.00 H new ATOM 0 HG1 THR A 64 114.750 -1.013 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 64 114.295 -3.184 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 64 115.294 -4.459 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 64 114.136 -3.548 -2.016 1.00 0.00 H new ATOM 827 N GLY A 65 115.858 -4.679 -0.087 1.00 0.00 N ATOM 828 CA GLY A 65 115.082 -5.351 0.932 1.00 0.00 C ATOM 829 C GLY A 65 115.724 -5.217 2.296 1.00 0.00 C ATOM 830 O GLY A 65 115.048 -5.297 3.321 1.00 0.00 O ATOM 0 H GLY A 65 116.389 -5.299 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.076 -4.933 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 65 114.982 -6.406 0.678 1.00 0.00 H new ATOM 834 N ILE A 66 117.039 -4.995 2.306 1.00 0.00 N ATOM 835 CA ILE A 66 117.776 -4.832 3.551 1.00 0.00 C ATOM 836 C ILE A 66 118.064 -3.359 3.808 1.00 0.00 C ATOM 837 O ILE A 66 118.321 -2.951 4.940 1.00 0.00 O ATOM 838 CB ILE A 66 119.100 -5.621 3.533 1.00 0.00 C ATOM 839 CG1 ILE A 66 118.828 -7.108 3.297 1.00 0.00 C ATOM 840 CG2 ILE A 66 119.861 -5.420 4.837 1.00 0.00 C ATOM 841 CD1 ILE A 66 118.700 -7.476 1.836 1.00 0.00 C ATOM 0 H ILE A 66 117.611 -4.925 1.465 1.00 0.00 H new ATOM 0 HA ILE A 66 117.153 -5.227 4.353 1.00 0.00 H new ATOM 0 HB ILE A 66 119.715 -5.245 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 66 119.635 -7.691 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.911 -7.388 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.793 -5.985 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 66 120.083 -4.361 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 66 119.253 -5.770 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 66 118.508 -8.545 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 66 117.874 -6.920 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.625 -7.228 1.316 1.00 0.00 H new ATOM 853 N PHE A 67 118.003 -2.566 2.748 1.00 0.00 N ATOM 854 CA PHE A 67 118.240 -1.139 2.840 1.00 0.00 C ATOM 855 C PHE A 67 117.148 -0.475 3.666 1.00 0.00 C ATOM 856 O PHE A 67 117.423 0.324 4.561 1.00 0.00 O ATOM 857 CB PHE A 67 118.278 -0.550 1.436 1.00 0.00 C ATOM 858 CG PHE A 67 119.398 0.427 1.221 1.00 0.00 C ATOM 859 CD1 PHE A 67 120.711 -0.009 1.149 1.00 0.00 C ATOM 860 CD2 PHE A 67 119.138 1.783 1.096 1.00 0.00 C ATOM 861 CE1 PHE A 67 121.744 0.888 0.955 1.00 0.00 C ATOM 862 CE2 PHE A 67 120.167 2.684 0.902 1.00 0.00 C ATOM 863 CZ PHE A 67 121.471 2.237 0.832 1.00 0.00 C ATOM 0 H PHE A 67 117.789 -2.895 1.806 1.00 0.00 H new ATOM 0 HA PHE A 67 119.195 -0.959 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 67 118.372 -1.361 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 67 117.330 -0.052 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 67 120.930 -1.062 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 67 118.120 2.139 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 67 122.763 0.535 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 67 119.951 3.738 0.805 1.00 0.00 H new ATOM 0 HZ PHE A 67 122.277 2.940 0.681 1.00 0.00 H new ATOM 873 N THR A 68 115.908 -0.826 3.358 1.00 0.00 N ATOM 874 CA THR A 68 114.756 -0.285 4.064 1.00 0.00 C ATOM 875 C THR A 68 114.661 -0.865 5.473 1.00 0.00 C ATOM 876 O THR A 68 114.095 -0.244 6.373 1.00 0.00 O ATOM 877 CB THR A 68 113.470 -0.584 3.289 1.00 0.00 C ATOM 878 OG1 THR A 68 113.766 -1.000 1.967 1.00 0.00 O ATOM 879 CG2 THR A 68 112.536 0.602 3.197 1.00 0.00 C ATOM 0 H THR A 68 115.673 -1.488 2.618 1.00 0.00 H new ATOM 0 HA THR A 68 114.882 0.795 4.142 1.00 0.00 H new ATOM 0 HB THR A 68 112.973 -1.375 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 68 114.104 -1.920 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 68 111.645 0.321 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 68 112.248 0.917 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 68 113.041 1.424 2.689 1.00 0.00 H new ATOM 887 N ASP A 69 115.216 -2.062 5.657 1.00 0.00 N ATOM 888 CA ASP A 69 115.190 -2.724 6.958 1.00 0.00 C ATOM 889 C ASP A 69 115.771 -1.825 8.045 1.00 0.00 C ATOM 890 O ASP A 69 115.417 -1.945 9.218 1.00 0.00 O ATOM 891 CB ASP A 69 115.965 -4.043 6.897 1.00 0.00 C ATOM 892 CG ASP A 69 115.049 -5.251 6.842 1.00 0.00 C ATOM 893 OD1 ASP A 69 113.897 -5.143 7.313 1.00 0.00 O ATOM 894 OD2 ASP A 69 115.483 -6.302 6.328 1.00 0.00 O ATOM 0 H ASP A 69 115.688 -2.591 4.923 1.00 0.00 H new ATOM 0 HA ASP A 69 114.150 -2.932 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 69 116.612 -4.041 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 69 116.613 -4.121 7.770 1.00 0.00 H new ATOM 899 N GLN A 70 116.661 -0.925 7.647 1.00 0.00 N ATOM 900 CA GLN A 70 117.288 -0.003 8.588 1.00 0.00 C ATOM 901 C GLN A 70 116.456 1.267 8.752 1.00 0.00 C ATOM 902 O GLN A 70 116.862 2.200 9.444 1.00 0.00 O ATOM 903 CB GLN A 70 118.699 0.355 8.120 1.00 0.00 C ATOM 904 CG GLN A 70 119.756 -0.645 8.558 1.00 0.00 C ATOM 905 CD GLN A 70 120.761 -0.047 9.522 1.00 0.00 C ATOM 906 OE1 GLN A 70 121.708 0.625 9.113 1.00 0.00 O ATOM 907 NE2 GLN A 70 120.559 -0.288 10.813 1.00 0.00 N ATOM 0 H GLN A 70 116.965 -0.813 6.680 1.00 0.00 H new ATOM 0 HA GLN A 70 117.347 -0.501 9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 70 118.705 0.425 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 70 118.961 1.341 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 70 119.270 -1.499 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 70 120.280 -1.022 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.761 -0.850 11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 70 121.202 0.089 11.509 1.00 0.00 H new ATOM 916 N VAL A 71 115.292 1.296 8.109 1.00 0.00 N ATOM 917 CA VAL A 71 114.399 2.447 8.180 1.00 0.00 C ATOM 918 C VAL A 71 113.298 2.214 9.203 1.00 0.00 C ATOM 919 O VAL A 71 112.992 3.089 10.011 1.00 0.00 O ATOM 920 CB VAL A 71 113.761 2.731 6.809 1.00 0.00 C ATOM 921 CG1 VAL A 71 112.820 3.926 6.881 1.00 0.00 C ATOM 922 CG2 VAL A 71 114.838 2.952 5.756 1.00 0.00 C ATOM 0 H VAL A 71 114.945 0.531 7.530 1.00 0.00 H new ATOM 0 HA VAL A 71 114.996 3.307 8.483 1.00 0.00 H new ATOM 0 HB VAL A 71 113.172 1.860 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 71 112.383 4.105 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 112.026 3.721 7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 71 113.376 4.809 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 71 114.369 3.152 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 115.457 3.803 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 71 115.460 2.060 5.679 1.00 0.00 H new ATOM 932 N LEU A 72 112.716 1.022 9.177 1.00 0.00 N ATOM 933 CA LEU A 72 111.664 0.679 10.115 1.00 0.00 C ATOM 934 C LEU A 72 112.281 0.248 11.437 1.00 0.00 C ATOM 935 O LEU A 72 111.655 0.346 12.492 1.00 0.00 O ATOM 936 CB LEU A 72 110.771 -0.434 9.553 1.00 0.00 C ATOM 937 CG LEU A 72 111.498 -1.534 8.775 1.00 0.00 C ATOM 938 CD1 LEU A 72 110.811 -2.877 8.977 1.00 0.00 C ATOM 939 CD2 LEU A 72 111.563 -1.186 7.295 1.00 0.00 C ATOM 0 H LEU A 72 112.956 0.281 8.518 1.00 0.00 H new ATOM 0 HA LEU A 72 111.040 1.558 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 72 110.231 -0.895 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 72 110.026 0.018 8.898 1.00 0.00 H new ATOM 0 HG LEU A 72 112.516 -1.609 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 72 111.343 -3.646 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 110.816 -3.132 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 109.782 -2.816 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 72 112.083 -1.979 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 72 110.552 -1.083 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 72 112.101 -0.247 7.165 1.00 0.00 H new ATOM 951 N SER A 73 113.524 -0.219 11.366 1.00 0.00 N ATOM 952 CA SER A 73 114.250 -0.660 12.547 1.00 0.00 C ATOM 953 C SER A 73 114.572 0.517 13.463 1.00 0.00 C ATOM 954 O SER A 73 114.841 0.336 14.650 1.00 0.00 O ATOM 955 CB SER A 73 115.542 -1.362 12.134 1.00 0.00 C ATOM 956 OG SER A 73 115.338 -2.754 11.966 1.00 0.00 O ATOM 0 H SER A 73 114.050 -0.301 10.496 1.00 0.00 H new ATOM 0 HA SER A 73 113.617 -1.358 13.094 1.00 0.00 H new ATOM 0 HB2 SER A 73 115.912 -0.931 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 73 116.309 -1.193 12.890 1.00 0.00 H new ATOM 0 HG SER A 73 115.308 -2.967 11.010 1.00 0.00 H new ATOM 962 N VAL A 74 114.551 1.721 12.905 1.00 0.00 N ATOM 963 CA VAL A 74 114.852 2.922 13.674 1.00 0.00 C ATOM 964 C VAL A 74 113.725 3.949 13.599 1.00 0.00 C ATOM 965 O VAL A 74 113.653 4.854 14.431 1.00 0.00 O ATOM 966 CB VAL A 74 116.147 3.583 13.170 1.00 0.00 C ATOM 967 CG1 VAL A 74 116.558 4.728 14.084 1.00 0.00 C ATOM 968 CG2 VAL A 74 117.265 2.558 13.054 1.00 0.00 C ATOM 0 H VAL A 74 114.329 1.892 11.924 1.00 0.00 H new ATOM 0 HA VAL A 74 114.970 2.603 14.710 1.00 0.00 H new ATOM 0 HB VAL A 74 115.957 3.992 12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 74 117.476 5.181 13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 74 115.767 5.477 14.107 1.00 0.00 H new ATOM 0 HG13 VAL A 74 116.726 4.347 15.091 1.00 0.00 H new ATOM 0 HG21 VAL A 74 118.171 3.047 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 74 117.454 2.114 14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 74 116.972 1.778 12.351 1.00 0.00 H new ATOM 978 N LEU A 75 112.866 3.834 12.588 1.00 0.00 N ATOM 979 CA LEU A 75 111.775 4.797 12.417 1.00 0.00 C ATOM 980 C LEU A 75 110.391 4.190 12.653 1.00 0.00 C ATOM 981 O LEU A 75 109.418 4.925 12.822 1.00 0.00 O ATOM 982 CB LEU A 75 111.842 5.409 11.019 1.00 0.00 C ATOM 983 CG LEU A 75 113.242 5.827 10.572 1.00 0.00 C ATOM 984 CD1 LEU A 75 113.227 6.299 9.126 1.00 0.00 C ATOM 985 CD2 LEU A 75 113.788 6.915 11.486 1.00 0.00 C ATOM 0 H LEU A 75 112.900 3.097 11.884 1.00 0.00 H new ATOM 0 HA LEU A 75 111.912 5.567 13.176 1.00 0.00 H new ATOM 0 HB2 LEU A 75 111.446 4.689 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 111.190 6.282 10.987 1.00 0.00 H new ATOM 0 HG LEU A 75 113.898 4.959 10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 75 114.234 6.592 8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 75 112.879 5.491 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 75 112.557 7.153 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 75 114.786 7.202 11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 75 113.130 7.784 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 75 113.839 6.540 12.508 1.00 0.00 H new ATOM 997 N LYS A 76 110.285 2.863 12.659 1.00 0.00 N ATOM 998 CA LYS A 76 108.995 2.218 12.870 1.00 0.00 C ATOM 999 C LYS A 76 108.905 1.595 14.258 1.00 0.00 C ATOM 1000 O LYS A 76 107.820 1.242 14.721 1.00 0.00 O ATOM 1001 CB LYS A 76 108.779 1.147 11.809 1.00 0.00 C ATOM 1002 CG LYS A 76 107.950 1.618 10.624 1.00 0.00 C ATOM 1003 CD LYS A 76 107.335 0.448 9.873 1.00 0.00 C ATOM 1004 CE LYS A 76 106.593 0.913 8.630 1.00 0.00 C ATOM 1005 NZ LYS A 76 107.513 1.507 7.622 1.00 0.00 N ATOM 0 H LYS A 76 111.067 2.222 12.522 1.00 0.00 H new ATOM 0 HA LYS A 76 108.218 2.978 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 76 109.749 0.804 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 76 108.287 0.289 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 76 107.160 2.283 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.578 2.197 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 76 108.118 -0.256 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 76 106.648 -0.087 10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 106.065 0.069 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 105.839 1.649 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.020 1.592 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 107.816 2.449 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 108.346 0.895 7.509 1.00 0.00 H new ATOM 1019 N GLY A 77 110.051 1.449 14.911 1.00 0.00 N ATOM 1020 CA GLY A 77 110.081 0.852 16.228 1.00 0.00 C ATOM 1021 C GLY A 77 110.824 -0.465 16.214 1.00 0.00 C ATOM 1022 O GLY A 77 110.392 -1.442 16.824 1.00 0.00 O ATOM 0 H GLY A 77 110.961 1.735 14.549 1.00 0.00 H new ATOM 0 HA2 GLY A 77 110.560 1.535 16.929 1.00 0.00 H new ATOM 0 HA3 GLY A 77 109.062 0.694 16.582 1.00 0.00 H new ATOM 1026 N GLU A 78 111.951 -0.482 15.510 1.00 0.00 N ATOM 1027 CA GLU A 78 112.772 -1.674 15.401 1.00 0.00 C ATOM 1028 C GLU A 78 112.061 -2.762 14.602 1.00 0.00 C ATOM 1029 O GLU A 78 111.865 -3.876 15.093 1.00 0.00 O ATOM 1030 CB GLU A 78 113.127 -2.173 16.796 1.00 0.00 C ATOM 1031 CG GLU A 78 114.489 -2.842 16.880 1.00 0.00 C ATOM 1032 CD GLU A 78 115.247 -2.464 18.136 1.00 0.00 C ATOM 1033 OE1 GLU A 78 115.019 -3.105 19.183 1.00 0.00 O ATOM 1034 OE2 GLU A 78 116.070 -1.526 18.074 1.00 0.00 O ATOM 0 H GLU A 78 112.316 0.325 15.004 1.00 0.00 H new ATOM 0 HA GLU A 78 113.688 -1.422 14.866 1.00 0.00 H new ATOM 0 HB2 GLU A 78 113.102 -1.333 17.490 1.00 0.00 H new ATOM 0 HB3 GLU A 78 112.365 -2.880 17.124 1.00 0.00 H new ATOM 0 HG2 GLU A 78 114.361 -3.924 16.849 1.00 0.00 H new ATOM 0 HG3 GLU A 78 115.080 -2.566 16.007 1.00 0.00 H new ATOM 1041 N GLU A 79 111.679 -2.441 13.362 1.00 0.00 N ATOM 1042 CA GLU A 79 110.994 -3.404 12.506 1.00 0.00 C ATOM 1043 C GLU A 79 109.565 -3.637 12.987 1.00 0.00 C ATOM 1044 O GLU A 79 109.397 -4.194 14.091 1.00 0.00 O ATOM 1045 CB GLU A 79 111.759 -4.734 12.468 1.00 0.00 C ATOM 1046 CG GLU A 79 112.220 -5.131 11.076 1.00 0.00 C ATOM 1047 CD GLU A 79 113.068 -6.389 11.078 1.00 0.00 C ATOM 1048 OE1 GLU A 79 112.733 -7.329 11.828 1.00 0.00 O ATOM 1049 OE2 GLU A 79 114.065 -6.433 10.328 1.00 0.00 O ATOM 0 H GLU A 79 111.833 -1.528 12.934 1.00 0.00 H new ATOM 0 HA GLU A 79 110.958 -2.991 11.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 112.628 -4.663 13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 79 111.121 -5.522 12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 79 111.349 -5.286 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 79 112.792 -4.312 10.640 1.00 0.00 H new TER 1056 GLU A 79