USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 677 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 94 CYS SG : rot 179:sc= -0.0221 USER MOD Set 1.2: A 104 THR OG1 : rot -167:sc= 0.804 USER MOD Set 2.1: A 2 THR OG1 : rot -170:sc= -0.0192 USER MOD Set 2.2: A 97 ASN : amide:sc= -0.0656 K(o=-0.085,f=-0.95) USER MOD Set 3.1: A 92 SER OG : rot 180:sc= -0.0831 USER MOD Set 3.2: A 93 ASN : amide:sc= 0 K(o=-0.083,f=-0.67) USER MOD Set 4.1: A 63 THR OG1 : rot 152:sc= -0.227 USER MOD Set 4.2: A 65 LYS NZ :NH3+ 177:sc= 0.489 (180deg=-0.434) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 17:sc= 0.33! USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.435 (180deg=-0.667) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -12:sc= 0.234! USER MOD Single : A 21 SER OG : rot 180:sc= -0.423 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.19) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -140:sc= -1.28 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 39:sc= 1.05 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 34 SER OG : rot 180:sc= -1.6 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 45 THR OG1 : rot 162:sc= -0.295 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 58 SER OG : rot 38:sc= 0.504 USER MOD Single : A 61 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-2.8) USER MOD Single : A 66 ASN : amide:sc= -0.405 K(o=-0.41,f=-2.2) USER MOD Single : A 70 ASN : amide:sc= -0.337 K(o=-0.34,f=-0.95) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot -136:sc= 0.951 USER MOD Single : A 105 SER OG : rot 48:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.707 23.673 25.741 1.00 12.43 N ATOM 2 CA ALA A 1 -11.192 24.189 24.466 1.00 72.14 C ATOM 3 C ALA A 1 -11.293 23.078 23.426 1.00 55.02 C ATOM 4 O ALA A 1 -10.606 23.105 22.405 1.00 1.40 O ATOM 5 CB ALA A 1 -10.281 25.301 23.966 1.00 60.23 C ATOM 0 H1 ALA A 1 -10.648 24.450 26.430 1.00 12.43 H new ATOM 0 H2 ALA A 1 -11.363 22.947 26.094 1.00 12.43 H new ATOM 0 H3 ALA A 1 -9.764 23.254 25.610 1.00 12.43 H new ATOM 0 HA ALA A 1 -12.191 24.595 24.623 1.00 72.14 H new ATOM 0 HB1 ALA A 1 -10.655 25.677 23.014 1.00 60.23 H new ATOM 0 HB2 ALA A 1 -10.263 26.112 24.694 1.00 60.23 H new ATOM 0 HB3 ALA A 1 -9.272 24.912 23.832 1.00 60.23 H new ATOM 11 N THR A 2 -12.153 22.100 23.693 1.00 43.12 N ATOM 12 CA THR A 2 -12.343 20.980 22.782 1.00 35.54 C ATOM 13 C THR A 2 -13.368 19.993 23.329 1.00 2.10 C ATOM 14 O THR A 2 -13.161 19.387 24.381 1.00 73.10 O ATOM 15 CB THR A 2 -11.018 20.236 22.524 1.00 23.12 C ATOM 16 OG1 THR A 2 -11.271 19.016 21.816 1.00 44.30 O ATOM 17 CG2 THR A 2 -10.306 19.929 23.832 1.00 62.03 C ATOM 0 H THR A 2 -12.729 22.062 24.534 1.00 43.12 H new ATOM 0 HA THR A 2 -12.708 21.395 21.843 1.00 35.54 H new ATOM 0 HB THR A 2 -10.377 20.880 21.922 1.00 23.12 H new ATOM 0 HG1 THR A 2 -10.454 18.475 21.794 1.00 44.30 H new ATOM 0 HG21 THR A 2 -9.374 19.404 23.624 1.00 62.03 H new ATOM 0 HG22 THR A 2 -10.089 20.860 24.355 1.00 62.03 H new ATOM 0 HG23 THR A 2 -10.944 19.303 24.455 1.00 62.03 H new ATOM 25 N SER A 3 -14.474 19.835 22.609 1.00 44.32 N ATOM 26 CA SER A 3 -15.534 18.924 23.024 1.00 61.13 C ATOM 27 C SER A 3 -16.092 18.159 21.829 1.00 13.43 C ATOM 28 O SER A 3 -16.973 18.646 21.122 1.00 52.23 O ATOM 29 CB SER A 3 -16.657 19.697 23.719 1.00 53.34 C ATOM 30 OG SER A 3 -16.252 20.145 25.001 1.00 73.40 O ATOM 0 H SER A 3 -14.659 20.327 21.735 1.00 44.32 H new ATOM 0 HA SER A 3 -15.108 18.207 23.725 1.00 61.13 H new ATOM 0 HB2 SER A 3 -16.947 20.551 23.107 1.00 53.34 H new ATOM 0 HB3 SER A 3 -17.536 19.060 23.814 1.00 53.34 H new ATOM 0 HG SER A 3 -16.987 20.637 25.423 1.00 73.40 H new ATOM 36 N ALA A 4 -15.571 16.956 21.609 1.00 54.32 N ATOM 37 CA ALA A 4 -16.017 16.120 20.501 1.00 44.04 C ATOM 38 C ALA A 4 -16.372 14.717 20.980 1.00 14.45 C ATOM 39 O ALA A 4 -15.615 14.094 21.725 1.00 73.41 O ATOM 40 CB ALA A 4 -14.945 16.058 19.423 1.00 20.22 C ATOM 0 H ALA A 4 -14.839 16.539 22.184 1.00 54.32 H new ATOM 0 HA ALA A 4 -16.916 16.568 20.078 1.00 44.04 H new ATOM 0 HB1 ALA A 4 -15.291 15.431 18.602 1.00 20.22 H new ATOM 0 HB2 ALA A 4 -14.743 17.063 19.052 1.00 20.22 H new ATOM 0 HB3 ALA A 4 -14.032 15.636 19.842 1.00 20.22 H new ATOM 46 N THR A 5 -17.528 14.223 20.547 1.00 72.14 N ATOM 47 CA THR A 5 -17.983 12.894 20.932 1.00 62.51 C ATOM 48 C THR A 5 -17.928 11.930 19.753 1.00 34.22 C ATOM 49 O THR A 5 -18.470 12.210 18.684 1.00 74.11 O ATOM 50 CB THR A 5 -19.422 12.931 21.483 1.00 42.33 C ATOM 51 OG1 THR A 5 -20.351 13.132 20.412 1.00 43.15 O ATOM 52 CG2 THR A 5 -19.578 14.040 22.513 1.00 3.04 C ATOM 0 H THR A 5 -18.166 14.724 19.929 1.00 72.14 H new ATOM 0 HA THR A 5 -17.310 12.544 21.715 1.00 62.51 H new ATOM 0 HB THR A 5 -19.628 11.976 21.967 1.00 42.33 H new ATOM 0 HG1 THR A 5 -19.915 12.929 19.558 1.00 43.15 H new ATOM 0 HG21 THR A 5 -20.601 14.047 22.888 1.00 3.04 H new ATOM 0 HG22 THR A 5 -18.890 13.868 23.340 1.00 3.04 H new ATOM 0 HG23 THR A 5 -19.355 15.001 22.050 1.00 3.04 H new ATOM 60 N ALA A 6 -17.269 10.794 19.955 1.00 33.34 N ATOM 61 CA ALA A 6 -17.145 9.786 18.908 1.00 62.03 C ATOM 62 C ALA A 6 -17.819 8.481 19.319 1.00 51.32 C ATOM 63 O ALA A 6 -17.366 7.800 20.240 1.00 4.14 O ATOM 64 CB ALA A 6 -15.679 9.545 18.579 1.00 64.21 C ATOM 0 H ALA A 6 -16.813 10.548 20.834 1.00 33.34 H new ATOM 0 HA ALA A 6 -17.650 10.159 18.017 1.00 62.03 H new ATOM 0 HB1 ALA A 6 -15.601 8.791 17.796 1.00 64.21 H new ATOM 0 HB2 ALA A 6 -15.226 10.474 18.234 1.00 64.21 H new ATOM 0 HB3 ALA A 6 -15.158 9.197 19.471 1.00 64.21 H new ATOM 70 N THR A 7 -18.903 8.138 18.632 1.00 10.24 N ATOM 71 CA THR A 7 -19.640 6.916 18.926 1.00 2.10 C ATOM 72 C THR A 7 -19.276 5.805 17.948 1.00 21.43 C ATOM 73 O THR A 7 -19.486 5.933 16.741 1.00 51.14 O ATOM 74 CB THR A 7 -21.161 7.151 18.876 1.00 23.21 C ATOM 75 OG1 THR A 7 -21.436 8.547 18.716 1.00 50.00 O ATOM 76 CG2 THR A 7 -21.830 6.639 20.142 1.00 64.31 C ATOM 0 H THR A 7 -19.291 8.690 17.867 1.00 10.24 H new ATOM 0 HA THR A 7 -19.360 6.614 19.935 1.00 2.10 H new ATOM 0 HB THR A 7 -21.563 6.602 18.025 1.00 23.21 H new ATOM 0 HG1 THR A 7 -22.405 8.688 18.683 1.00 50.00 H new ATOM 0 HG21 THR A 7 -22.904 6.816 20.083 1.00 64.31 H new ATOM 0 HG22 THR A 7 -21.644 5.570 20.245 1.00 64.31 H new ATOM 0 HG23 THR A 7 -21.423 7.163 21.006 1.00 64.31 H new ATOM 84 N PHE A 8 -18.731 4.714 18.475 1.00 10.34 N ATOM 85 CA PHE A 8 -18.338 3.579 17.647 1.00 54.31 C ATOM 86 C PHE A 8 -19.563 2.826 17.138 1.00 62.45 C ATOM 87 O PHE A 8 -20.564 2.700 17.843 1.00 10.42 O ATOM 88 CB PHE A 8 -17.435 2.631 18.440 1.00 12.13 C ATOM 89 CG PHE A 8 -17.141 1.344 17.723 1.00 64.32 C ATOM 90 CD1 PHE A 8 -16.548 1.353 16.472 1.00 1.44 C ATOM 91 CD2 PHE A 8 -17.460 0.126 18.301 1.00 74.21 C ATOM 92 CE1 PHE A 8 -16.276 0.170 15.809 1.00 72.34 C ATOM 93 CE2 PHE A 8 -17.190 -1.060 17.644 1.00 60.24 C ATOM 94 CZ PHE A 8 -16.599 -1.038 16.396 1.00 51.13 C ATOM 0 H PHE A 8 -18.551 4.591 19.472 1.00 10.34 H new ATOM 0 HA PHE A 8 -17.787 3.962 16.788 1.00 54.31 H new ATOM 0 HB2 PHE A 8 -16.495 3.137 18.661 1.00 12.13 H new ATOM 0 HB3 PHE A 8 -17.908 2.405 19.396 1.00 12.13 H new ATOM 0 HD1 PHE A 8 -16.295 2.295 16.008 1.00 1.44 H new ATOM 0 HD2 PHE A 8 -17.925 0.103 19.276 1.00 74.21 H new ATOM 0 HE1 PHE A 8 -15.812 0.191 14.834 1.00 72.34 H new ATOM 0 HE2 PHE A 8 -17.441 -2.003 18.106 1.00 60.24 H new ATOM 0 HZ PHE A 8 -16.390 -1.963 15.880 1.00 51.13 H new ATOM 104 N ALA A 9 -19.476 2.329 15.908 1.00 63.34 N ATOM 105 CA ALA A 9 -20.576 1.588 15.305 1.00 64.32 C ATOM 106 C ALA A 9 -20.059 0.438 14.447 1.00 73.15 C ATOM 107 O ALA A 9 -18.892 0.420 14.053 1.00 43.33 O ATOM 108 CB ALA A 9 -21.446 2.519 14.473 1.00 21.40 C ATOM 0 H ALA A 9 -18.655 2.426 15.310 1.00 63.34 H new ATOM 0 HA ALA A 9 -21.179 1.165 16.108 1.00 64.32 H new ATOM 0 HB1 ALA A 9 -22.264 1.952 14.028 1.00 21.40 H new ATOM 0 HB2 ALA A 9 -21.853 3.304 15.111 1.00 21.40 H new ATOM 0 HB3 ALA A 9 -20.845 2.969 13.683 1.00 21.40 H new ATOM 114 N LYS A 10 -20.932 -0.522 14.164 1.00 21.00 N ATOM 115 CA LYS A 10 -20.564 -1.677 13.353 1.00 64.42 C ATOM 116 C LYS A 10 -21.129 -1.553 11.942 1.00 50.02 C ATOM 117 O LYS A 10 -22.169 -0.928 11.731 1.00 22.43 O ATOM 118 CB LYS A 10 -21.070 -2.965 14.006 1.00 22.04 C ATOM 119 CG LYS A 10 -20.508 -4.227 13.374 1.00 33.32 C ATOM 120 CD LYS A 10 -19.019 -4.368 13.640 1.00 34.35 C ATOM 121 CE LYS A 10 -18.415 -5.507 12.833 1.00 14.32 C ATOM 122 NZ LYS A 10 -18.101 -6.687 13.686 1.00 61.11 N ATOM 0 H LYS A 10 -21.900 -0.524 14.484 1.00 21.00 H new ATOM 0 HA LYS A 10 -19.477 -1.713 13.287 1.00 64.42 H new ATOM 0 HB2 LYS A 10 -20.811 -2.952 15.065 1.00 22.04 H new ATOM 0 HB3 LYS A 10 -22.158 -2.991 13.944 1.00 22.04 H new ATOM 0 HG2 LYS A 10 -21.033 -5.097 13.768 1.00 33.32 H new ATOM 0 HG3 LYS A 10 -20.686 -4.207 12.299 1.00 33.32 H new ATOM 0 HD2 LYS A 10 -18.514 -3.435 13.390 1.00 34.35 H new ATOM 0 HD3 LYS A 10 -18.853 -4.545 14.703 1.00 34.35 H new ATOM 0 HE2 LYS A 10 -19.109 -5.802 12.046 1.00 14.32 H new ATOM 0 HE3 LYS A 10 -17.505 -5.161 12.342 1.00 14.32 H new ATOM 0 HZ1 LYS A 10 -17.885 -7.505 13.081 1.00 61.11 H new ATOM 0 HZ2 LYS A 10 -17.278 -6.473 14.285 1.00 61.11 H new ATOM 0 HZ3 LYS A 10 -18.920 -6.908 14.288 1.00 61.11 H new ATOM 136 N THR A 11 -20.437 -2.152 10.977 1.00 72.15 N ATOM 137 CA THR A 11 -20.870 -2.108 9.587 1.00 31.22 C ATOM 138 C THR A 11 -21.351 -3.477 9.118 1.00 52.12 C ATOM 139 O THR A 11 -22.522 -3.653 8.781 1.00 15.33 O ATOM 140 CB THR A 11 -19.736 -1.630 8.661 1.00 3.44 C ATOM 141 OG1 THR A 11 -18.831 -0.791 9.386 1.00 44.24 O ATOM 142 CG2 THR A 11 -20.297 -0.868 7.469 1.00 12.21 C ATOM 0 H THR A 11 -19.574 -2.673 11.134 1.00 72.15 H new ATOM 0 HA THR A 11 -21.696 -1.398 9.535 1.00 31.22 H new ATOM 0 HB THR A 11 -19.202 -2.507 8.294 1.00 3.44 H new ATOM 0 HG1 THR A 11 -18.112 -0.493 8.790 1.00 44.24 H new ATOM 0 HG21 THR A 11 -19.478 -0.540 6.829 1.00 12.21 H new ATOM 0 HG22 THR A 11 -20.963 -1.519 6.902 1.00 12.21 H new ATOM 0 HG23 THR A 11 -20.852 0.001 7.821 1.00 12.21 H new ATOM 150 N SER A 12 -20.439 -4.445 9.099 1.00 42.03 N ATOM 151 CA SER A 12 -20.769 -5.798 8.668 1.00 22.45 C ATOM 152 C SER A 12 -19.553 -6.714 8.771 1.00 4.21 C ATOM 153 O SER A 12 -18.415 -6.270 8.624 1.00 54.30 O ATOM 154 CB SER A 12 -21.292 -5.785 7.229 1.00 73.51 C ATOM 155 OG SER A 12 -20.493 -4.954 6.405 1.00 22.20 O ATOM 0 H SER A 12 -19.466 -4.317 9.377 1.00 42.03 H new ATOM 0 HA SER A 12 -21.548 -6.182 9.327 1.00 22.45 H new ATOM 0 HB2 SER A 12 -21.298 -6.800 6.831 1.00 73.51 H new ATOM 0 HB3 SER A 12 -22.323 -5.432 7.216 1.00 73.51 H new ATOM 0 HG SER A 12 -20.846 -4.963 5.491 1.00 22.20 H new ATOM 161 N ASP A 13 -19.804 -7.993 9.025 1.00 44.01 N ATOM 162 CA ASP A 13 -18.731 -8.973 9.147 1.00 4.31 C ATOM 163 C ASP A 13 -18.863 -10.059 8.084 1.00 41.01 C ATOM 164 O ASP A 13 -19.916 -10.683 7.948 1.00 62.30 O ATOM 165 CB ASP A 13 -18.741 -9.602 10.541 1.00 43.04 C ATOM 166 CG ASP A 13 -20.085 -10.210 10.892 1.00 2.33 C ATOM 167 OD1 ASP A 13 -20.945 -9.480 11.429 1.00 24.05 O ATOM 168 OD2 ASP A 13 -20.277 -11.415 10.629 1.00 40.30 O ATOM 0 H ASP A 13 -20.741 -8.376 9.150 1.00 44.01 H new ATOM 0 HA ASP A 13 -17.783 -8.457 8.997 1.00 4.31 H new ATOM 0 HB2 ASP A 13 -17.972 -10.372 10.594 1.00 43.04 H new ATOM 0 HB3 ASP A 13 -18.484 -8.844 11.281 1.00 43.04 H new ATOM 173 N TRP A 14 -17.790 -10.279 7.334 1.00 3.41 N ATOM 174 CA TRP A 14 -17.787 -11.290 6.282 1.00 1.20 C ATOM 175 C TRP A 14 -16.870 -12.452 6.646 1.00 4.23 C ATOM 176 O TRP A 14 -15.695 -12.464 6.283 1.00 11.50 O ATOM 177 CB TRP A 14 -17.346 -10.672 4.954 1.00 52.33 C ATOM 178 CG TRP A 14 -16.130 -9.804 5.077 1.00 33.32 C ATOM 179 CD1 TRP A 14 -14.842 -10.153 4.787 1.00 3.31 C ATOM 180 CD2 TRP A 14 -16.089 -8.445 5.526 1.00 32.22 C ATOM 181 NE1 TRP A 14 -14.002 -9.092 5.027 1.00 64.13 N ATOM 182 CE2 TRP A 14 -14.743 -8.032 5.480 1.00 34.42 C ATOM 183 CE3 TRP A 14 -17.058 -7.537 5.959 1.00 41.44 C ATOM 184 CZ2 TRP A 14 -14.345 -6.751 5.854 1.00 51.31 C ATOM 185 CZ3 TRP A 14 -16.661 -6.266 6.329 1.00 45.40 C ATOM 186 CH2 TRP A 14 -15.315 -5.882 6.274 1.00 43.12 C ATOM 0 H TRP A 14 -16.911 -9.772 7.434 1.00 3.41 H new ATOM 0 HA TRP A 14 -18.802 -11.673 6.177 1.00 1.20 H new ATOM 0 HB2 TRP A 14 -17.143 -11.470 4.240 1.00 52.33 H new ATOM 0 HB3 TRP A 14 -18.166 -10.081 4.547 1.00 52.33 H new ATOM 0 HD1 TRP A 14 -14.529 -11.120 4.423 1.00 3.31 H new ATOM 0 HE1 TRP A 14 -12.991 -9.093 4.890 1.00 64.13 H new ATOM 0 HE3 TRP A 14 -18.098 -7.823 6.004 1.00 41.44 H new ATOM 0 HZ2 TRP A 14 -13.307 -6.454 5.814 1.00 51.31 H new ATOM 0 HZ3 TRP A 14 -17.402 -5.556 6.667 1.00 45.40 H new ATOM 0 HH2 TRP A 14 -15.037 -4.881 6.569 1.00 43.12 H new ATOM 197 N GLY A 15 -17.415 -13.427 7.366 1.00 12.13 N ATOM 198 CA GLY A 15 -16.630 -14.581 7.768 1.00 3.44 C ATOM 199 C GLY A 15 -15.664 -14.262 8.890 1.00 74.22 C ATOM 200 O GLY A 15 -15.947 -14.528 10.059 1.00 22.32 O ATOM 0 H GLY A 15 -18.386 -13.439 7.679 1.00 12.13 H new ATOM 0 HA2 GLY A 15 -17.300 -15.380 8.086 1.00 3.44 H new ATOM 0 HA3 GLY A 15 -16.073 -14.955 6.909 1.00 3.44 H new ATOM 204 N THR A 16 -14.516 -13.691 8.537 1.00 44.22 N ATOM 205 CA THR A 16 -13.504 -13.338 9.523 1.00 74.14 C ATOM 206 C THR A 16 -13.270 -11.832 9.558 1.00 61.22 C ATOM 207 O THR A 16 -12.711 -11.301 10.517 1.00 34.32 O ATOM 208 CB THR A 16 -12.166 -14.046 9.234 1.00 45.13 C ATOM 209 OG1 THR A 16 -11.142 -13.526 10.089 1.00 14.53 O ATOM 210 CG2 THR A 16 -11.762 -13.863 7.779 1.00 1.25 C ATOM 0 H THR A 16 -14.265 -13.464 7.575 1.00 44.22 H new ATOM 0 HA THR A 16 -13.880 -13.667 10.492 1.00 74.14 H new ATOM 0 HB THR A 16 -12.293 -15.111 9.428 1.00 45.13 H new ATOM 0 HG1 THR A 16 -11.464 -12.710 10.526 1.00 14.53 H new ATOM 0 HG21 THR A 16 -10.815 -14.371 7.598 1.00 1.25 H new ATOM 0 HG22 THR A 16 -12.530 -14.286 7.132 1.00 1.25 H new ATOM 0 HG23 THR A 16 -11.651 -12.800 7.563 1.00 1.25 H new ATOM 218 N GLY A 17 -13.705 -11.146 8.505 1.00 42.24 N ATOM 219 CA GLY A 17 -13.535 -9.707 8.435 1.00 50.45 C ATOM 220 C GLY A 17 -14.673 -8.956 9.097 1.00 42.10 C ATOM 221 O GLY A 17 -15.750 -9.512 9.315 1.00 53.11 O ATOM 0 H GLY A 17 -14.172 -11.562 7.699 1.00 42.24 H new ATOM 0 HA2 GLY A 17 -12.595 -9.432 8.913 1.00 50.45 H new ATOM 0 HA3 GLY A 17 -13.462 -9.403 7.391 1.00 50.45 H new ATOM 225 N PHE A 18 -14.436 -7.688 9.419 1.00 13.01 N ATOM 226 CA PHE A 18 -15.450 -6.861 10.062 1.00 52.54 C ATOM 227 C PHE A 18 -15.375 -5.421 9.560 1.00 72.02 C ATOM 228 O PHE A 18 -14.362 -4.997 9.006 1.00 52.55 O ATOM 229 CB PHE A 18 -15.275 -6.892 11.582 1.00 72.21 C ATOM 230 CG PHE A 18 -14.241 -5.926 12.087 1.00 1.34 C ATOM 231 CD1 PHE A 18 -12.912 -6.305 12.191 1.00 4.44 C ATOM 232 CD2 PHE A 18 -14.598 -4.640 12.458 1.00 62.21 C ATOM 233 CE1 PHE A 18 -11.959 -5.418 12.654 1.00 14.41 C ATOM 234 CE2 PHE A 18 -13.649 -3.749 12.922 1.00 51.41 C ATOM 235 CZ PHE A 18 -12.327 -4.139 13.021 1.00 72.34 C ATOM 0 H PHE A 18 -13.551 -7.212 9.245 1.00 13.01 H new ATOM 0 HA PHE A 18 -16.429 -7.266 9.807 1.00 52.54 H new ATOM 0 HB2 PHE A 18 -16.231 -6.668 12.054 1.00 72.21 H new ATOM 0 HB3 PHE A 18 -14.998 -7.901 11.887 1.00 72.21 H new ATOM 0 HD1 PHE A 18 -12.618 -7.305 11.907 1.00 4.44 H new ATOM 0 HD2 PHE A 18 -15.630 -4.330 12.384 1.00 62.21 H new ATOM 0 HE1 PHE A 18 -10.926 -5.725 12.729 1.00 14.41 H new ATOM 0 HE2 PHE A 18 -13.940 -2.749 13.207 1.00 51.41 H new ATOM 0 HZ PHE A 18 -11.584 -3.445 13.385 1.00 72.34 H new ATOM 245 N GLY A 19 -16.457 -4.674 9.758 1.00 24.22 N ATOM 246 CA GLY A 19 -16.495 -3.292 9.320 1.00 4.23 C ATOM 247 C GLY A 19 -16.754 -2.328 10.461 1.00 34.33 C ATOM 248 O GLY A 19 -17.648 -2.548 11.278 1.00 2.11 O ATOM 0 H GLY A 19 -17.308 -5.002 10.214 1.00 24.22 H new ATOM 0 HA2 GLY A 19 -15.548 -3.039 8.843 1.00 4.23 H new ATOM 0 HA3 GLY A 19 -17.273 -3.175 8.566 1.00 4.23 H new ATOM 252 N GLY A 20 -15.968 -1.258 10.519 1.00 63.35 N ATOM 253 CA GLY A 20 -16.132 -0.274 11.574 1.00 53.13 C ATOM 254 C GLY A 20 -16.815 0.989 11.089 1.00 52.42 C ATOM 255 O GLY A 20 -16.755 1.319 9.904 1.00 41.11 O ATOM 0 H GLY A 20 -15.221 -1.054 9.855 1.00 63.35 H new ATOM 0 HA2 GLY A 20 -16.715 -0.710 12.385 1.00 53.13 H new ATOM 0 HA3 GLY A 20 -15.155 -0.020 11.985 1.00 53.13 H new ATOM 259 N SER A 21 -17.469 1.696 12.005 1.00 12.20 N ATOM 260 CA SER A 21 -18.171 2.927 11.662 1.00 73.34 C ATOM 261 C SER A 21 -18.016 3.967 12.768 1.00 50.00 C ATOM 262 O SER A 21 -18.761 3.963 13.748 1.00 44.01 O ATOM 263 CB SER A 21 -19.654 2.642 11.420 1.00 31.41 C ATOM 264 OG SER A 21 -20.429 3.821 11.553 1.00 64.11 O ATOM 0 H SER A 21 -17.527 1.437 12.990 1.00 12.20 H new ATOM 0 HA SER A 21 -17.730 3.325 10.748 1.00 73.34 H new ATOM 0 HB2 SER A 21 -19.789 2.225 10.422 1.00 31.41 H new ATOM 0 HB3 SER A 21 -20.004 1.892 12.129 1.00 31.41 H new ATOM 0 HG SER A 21 -21.373 3.612 11.392 1.00 64.11 H new ATOM 270 N TRP A 22 -17.042 4.855 12.603 1.00 44.33 N ATOM 271 CA TRP A 22 -16.788 5.901 13.587 1.00 40.51 C ATOM 272 C TRP A 22 -17.592 7.157 13.266 1.00 64.14 C ATOM 273 O TRP A 22 -17.503 7.700 12.164 1.00 2.12 O ATOM 274 CB TRP A 22 -15.296 6.235 13.633 1.00 33.54 C ATOM 275 CG TRP A 22 -14.461 5.139 14.224 1.00 30.02 C ATOM 276 CD1 TRP A 22 -13.689 4.240 13.545 1.00 63.12 C ATOM 277 CD2 TRP A 22 -14.316 4.827 15.614 1.00 21.14 C ATOM 278 NE1 TRP A 22 -13.074 3.387 14.428 1.00 73.23 N ATOM 279 CE2 TRP A 22 -13.441 3.726 15.703 1.00 64.45 C ATOM 280 CE3 TRP A 22 -14.839 5.370 16.790 1.00 74.33 C ATOM 281 CZ2 TRP A 22 -13.080 3.162 16.924 1.00 11.33 C ATOM 282 CZ3 TRP A 22 -14.480 4.808 18.000 1.00 71.22 C ATOM 283 CH2 TRP A 22 -13.606 3.713 18.060 1.00 63.10 C ATOM 0 H TRP A 22 -16.416 4.872 11.798 1.00 44.33 H new ATOM 0 HA TRP A 22 -17.101 5.531 14.563 1.00 40.51 H new ATOM 0 HB2 TRP A 22 -14.946 6.444 12.622 1.00 33.54 H new ATOM 0 HB3 TRP A 22 -15.152 7.146 14.215 1.00 33.54 H new ATOM 0 HD1 TRP A 22 -13.578 4.205 12.471 1.00 63.12 H new ATOM 0 HE1 TRP A 22 -12.446 2.624 14.175 1.00 73.23 H new ATOM 0 HE3 TRP A 22 -15.512 6.214 16.754 1.00 74.33 H new ATOM 0 HZ2 TRP A 22 -12.408 2.318 16.972 1.00 11.33 H new ATOM 0 HZ3 TRP A 22 -14.879 5.219 18.915 1.00 71.22 H new ATOM 0 HH2 TRP A 22 -13.343 3.297 19.021 1.00 63.10 H new ATOM 294 N THR A 23 -18.378 7.615 14.236 1.00 42.54 N ATOM 295 CA THR A 23 -19.198 8.807 14.056 1.00 31.25 C ATOM 296 C THR A 23 -18.679 9.965 14.900 1.00 54.21 C ATOM 297 O THR A 23 -18.912 10.019 16.107 1.00 64.31 O ATOM 298 CB THR A 23 -20.669 8.537 14.425 1.00 13.05 C ATOM 299 OG1 THR A 23 -21.181 7.455 13.639 1.00 3.53 O ATOM 300 CG2 THR A 23 -21.519 9.778 14.203 1.00 41.40 C ATOM 0 H THR A 23 -18.464 7.179 15.154 1.00 42.54 H new ATOM 0 HA THR A 23 -19.138 9.075 13.001 1.00 31.25 H new ATOM 0 HB THR A 23 -20.712 8.270 15.481 1.00 13.05 H new ATOM 0 HG1 THR A 23 -22.116 7.289 13.881 1.00 3.53 H new ATOM 0 HG21 THR A 23 -22.554 9.563 14.470 1.00 41.40 H new ATOM 0 HG22 THR A 23 -21.145 10.591 14.825 1.00 41.40 H new ATOM 0 HG23 THR A 23 -21.469 10.071 13.154 1.00 41.40 H new ATOM 308 N VAL A 24 -17.972 10.889 14.257 1.00 63.45 N ATOM 309 CA VAL A 24 -17.421 12.049 14.949 1.00 25.40 C ATOM 310 C VAL A 24 -18.365 13.243 14.860 1.00 31.44 C ATOM 311 O VAL A 24 -18.854 13.583 13.783 1.00 33.24 O ATOM 312 CB VAL A 24 -16.051 12.447 14.372 1.00 53.43 C ATOM 313 CG1 VAL A 24 -15.402 13.523 15.229 1.00 43.44 C ATOM 314 CG2 VAL A 24 -15.146 11.230 14.257 1.00 5.13 C ATOM 0 H VAL A 24 -17.767 10.857 13.258 1.00 63.45 H new ATOM 0 HA VAL A 24 -17.298 11.765 15.994 1.00 25.40 H new ATOM 0 HB VAL A 24 -16.203 12.854 13.372 1.00 53.43 H new ATOM 0 HG11 VAL A 24 -14.434 13.791 14.805 1.00 43.44 H new ATOM 0 HG12 VAL A 24 -16.044 14.404 15.255 1.00 43.44 H new ATOM 0 HG13 VAL A 24 -15.262 13.146 16.242 1.00 43.44 H new ATOM 0 HG21 VAL A 24 -14.182 11.531 13.847 1.00 5.13 H new ATOM 0 HG22 VAL A 24 -15.000 10.791 15.244 1.00 5.13 H new ATOM 0 HG23 VAL A 24 -15.607 10.495 13.597 1.00 5.13 H new ATOM 324 N LYS A 25 -18.618 13.876 16.001 1.00 4.43 N ATOM 325 CA LYS A 25 -19.503 15.034 16.053 1.00 14.31 C ATOM 326 C LYS A 25 -18.901 16.138 16.918 1.00 5.52 C ATOM 327 O LYS A 25 -18.681 15.952 18.113 1.00 42.44 O ATOM 328 CB LYS A 25 -20.872 14.630 16.602 1.00 42.33 C ATOM 329 CG LYS A 25 -21.785 15.811 16.889 1.00 53.52 C ATOM 330 CD LYS A 25 -23.235 15.485 16.577 1.00 2.55 C ATOM 331 CE LYS A 25 -23.805 14.478 17.565 1.00 44.05 C ATOM 332 NZ LYS A 25 -24.387 13.294 16.876 1.00 34.21 N ATOM 0 H LYS A 25 -18.223 13.607 16.902 1.00 4.43 H new ATOM 0 HA LYS A 25 -19.624 15.415 15.039 1.00 14.31 H new ATOM 0 HB2 LYS A 25 -21.361 13.969 15.886 1.00 42.33 H new ATOM 0 HB3 LYS A 25 -20.732 14.058 17.519 1.00 42.33 H new ATOM 0 HG2 LYS A 25 -21.693 16.097 17.937 1.00 53.52 H new ATOM 0 HG3 LYS A 25 -21.469 16.669 16.296 1.00 53.52 H new ATOM 0 HD2 LYS A 25 -23.828 16.399 16.604 1.00 2.55 H new ATOM 0 HD3 LYS A 25 -23.310 15.086 15.565 1.00 2.55 H new ATOM 0 HE2 LYS A 25 -23.019 14.152 18.246 1.00 44.05 H new ATOM 0 HE3 LYS A 25 -24.572 14.959 18.172 1.00 44.05 H new ATOM 0 HZ1 LYS A 25 -24.765 12.632 17.583 1.00 34.21 H new ATOM 0 HZ2 LYS A 25 -25.155 13.602 16.245 1.00 34.21 H new ATOM 0 HZ3 LYS A 25 -23.649 12.820 16.317 1.00 34.21 H new ATOM 346 N ASN A 26 -18.640 17.288 16.304 1.00 4.25 N ATOM 347 CA ASN A 26 -18.067 18.423 17.017 1.00 10.21 C ATOM 348 C ASN A 26 -19.126 19.485 17.292 1.00 2.42 C ATOM 349 O ASN A 26 -19.827 19.930 16.382 1.00 3.21 O ATOM 350 CB ASN A 26 -16.917 19.030 16.212 1.00 13.43 C ATOM 351 CG ASN A 26 -15.885 17.995 15.806 1.00 54.04 C ATOM 352 OD1 ASN A 26 -14.909 17.763 16.521 1.00 41.33 O ATOM 353 ND2 ASN A 26 -16.096 17.367 14.656 1.00 24.12 N ATOM 0 H ASN A 26 -18.817 17.458 15.314 1.00 4.25 H new ATOM 0 HA ASN A 26 -17.683 18.063 17.972 1.00 10.21 H new ATOM 0 HB2 ASN A 26 -17.316 19.510 15.319 1.00 13.43 H new ATOM 0 HB3 ASN A 26 -16.434 19.808 16.803 1.00 13.43 H new ATOM 0 HD21 ASN A 26 -15.436 16.660 14.332 1.00 24.12 H new ATOM 0 HD22 ASN A 26 -16.918 17.591 14.096 1.00 24.12 H new ATOM 360 N THR A 27 -19.238 19.890 18.553 1.00 44.42 N ATOM 361 CA THR A 27 -20.211 20.900 18.948 1.00 23.13 C ATOM 362 C THR A 27 -20.016 21.313 20.402 1.00 45.13 C ATOM 363 O THR A 27 -20.106 20.487 21.310 1.00 24.11 O ATOM 364 CB THR A 27 -21.655 20.393 18.760 1.00 53.52 C ATOM 365 OG1 THR A 27 -22.583 21.366 19.252 1.00 3.25 O ATOM 366 CG2 THR A 27 -21.863 19.073 19.486 1.00 23.30 C ATOM 0 H THR A 27 -18.666 19.533 19.319 1.00 44.42 H new ATOM 0 HA THR A 27 -20.049 21.764 18.303 1.00 23.13 H new ATOM 0 HB THR A 27 -21.826 20.234 17.695 1.00 53.52 H new ATOM 0 HG1 THR A 27 -23.498 21.038 19.128 1.00 3.25 H new ATOM 0 HG21 THR A 27 -22.889 18.735 19.339 1.00 23.30 H new ATOM 0 HG22 THR A 27 -21.175 18.327 19.089 1.00 23.30 H new ATOM 0 HG23 THR A 27 -21.675 19.210 20.551 1.00 23.30 H new ATOM 374 N GLY A 28 -19.748 22.598 20.617 1.00 23.42 N ATOM 375 CA GLY A 28 -19.544 23.098 21.965 1.00 25.35 C ATOM 376 C GLY A 28 -18.274 23.914 22.094 1.00 53.44 C ATOM 377 O GLY A 28 -18.295 25.033 22.608 1.00 53.24 O ATOM 0 H GLY A 28 -19.669 23.301 19.882 1.00 23.42 H new ATOM 0 HA2 GLY A 28 -20.397 23.711 22.255 1.00 25.35 H new ATOM 0 HA3 GLY A 28 -19.505 22.258 22.659 1.00 25.35 H new ATOM 381 N THR A 29 -17.162 23.353 21.629 1.00 43.40 N ATOM 382 CA THR A 29 -15.875 24.035 21.697 1.00 25.25 C ATOM 383 C THR A 29 -15.780 25.136 20.647 1.00 72.51 C ATOM 384 O THR A 29 -16.649 25.262 19.784 1.00 41.12 O ATOM 385 CB THR A 29 -14.707 23.051 21.500 1.00 35.35 C ATOM 386 OG1 THR A 29 -13.461 23.712 21.748 1.00 45.13 O ATOM 387 CG2 THR A 29 -14.711 22.480 20.089 1.00 64.42 C ATOM 0 H THR A 29 -17.127 22.428 21.201 1.00 43.40 H new ATOM 0 HA THR A 29 -15.804 24.477 22.691 1.00 25.25 H new ATOM 0 HB THR A 29 -14.830 22.231 22.207 1.00 35.35 H new ATOM 0 HG1 THR A 29 -12.797 23.414 21.092 1.00 45.13 H new ATOM 0 HG21 THR A 29 -13.877 21.788 19.974 1.00 64.42 H new ATOM 0 HG22 THR A 29 -15.648 21.952 19.913 1.00 64.42 H new ATOM 0 HG23 THR A 29 -14.611 23.291 19.368 1.00 64.42 H new ATOM 395 N THR A 30 -14.717 25.931 20.726 1.00 62.05 N ATOM 396 CA THR A 30 -14.508 27.022 19.783 1.00 42.11 C ATOM 397 C THR A 30 -14.302 26.494 18.367 1.00 74.33 C ATOM 398 O THR A 30 -14.303 25.285 18.141 1.00 12.44 O ATOM 399 CB THR A 30 -13.294 27.884 20.180 1.00 0.23 C ATOM 400 OG1 THR A 30 -12.092 27.111 20.081 1.00 25.35 O ATOM 401 CG2 THR A 30 -13.448 28.414 21.597 1.00 34.25 C ATOM 0 H THR A 30 -13.988 25.839 21.433 1.00 62.05 H new ATOM 0 HA THR A 30 -15.406 27.639 19.810 1.00 42.11 H new ATOM 0 HB THR A 30 -13.238 28.731 19.497 1.00 0.23 H new ATOM 0 HG1 THR A 30 -11.325 27.666 20.333 1.00 25.35 H new ATOM 0 HG21 THR A 30 -12.579 29.020 21.855 1.00 34.25 H new ATOM 0 HG22 THR A 30 -14.348 29.025 21.661 1.00 34.25 H new ATOM 0 HG23 THR A 30 -13.527 27.578 22.292 1.00 34.25 H new ATOM 409 N SER A 31 -14.123 27.409 17.420 1.00 3.31 N ATOM 410 CA SER A 31 -13.918 27.034 16.025 1.00 54.34 C ATOM 411 C SER A 31 -12.796 26.008 15.898 1.00 32.34 C ATOM 412 O SER A 31 -11.619 26.334 16.053 1.00 51.13 O ATOM 413 CB SER A 31 -13.590 28.271 15.186 1.00 51.15 C ATOM 414 OG SER A 31 -12.343 28.828 15.566 1.00 13.20 O ATOM 0 H SER A 31 -14.116 28.414 17.592 1.00 3.31 H new ATOM 0 HA SER A 31 -14.840 26.586 15.655 1.00 54.34 H new ATOM 0 HB2 SER A 31 -13.565 28.002 14.130 1.00 51.15 H new ATOM 0 HB3 SER A 31 -14.377 29.016 15.307 1.00 51.15 H new ATOM 0 HG SER A 31 -11.706 28.107 15.754 1.00 13.20 H new ATOM 420 N LEU A 32 -13.170 24.765 15.616 1.00 24.04 N ATOM 421 CA LEU A 32 -12.198 23.687 15.468 1.00 44.22 C ATOM 422 C LEU A 32 -11.338 23.897 14.225 1.00 4.24 C ATOM 423 O LEU A 32 -11.431 24.930 13.561 1.00 75.22 O ATOM 424 CB LEU A 32 -12.911 22.337 15.386 1.00 25.32 C ATOM 425 CG LEU A 32 -12.388 21.244 16.319 1.00 3.35 C ATOM 426 CD1 LEU A 32 -13.254 21.146 17.565 1.00 32.04 C ATOM 427 CD2 LEU A 32 -12.337 19.906 15.596 1.00 34.43 C ATOM 0 H LEU A 32 -14.140 24.478 15.485 1.00 24.04 H new ATOM 0 HA LEU A 32 -11.548 23.694 16.343 1.00 44.22 H new ATOM 0 HB2 LEU A 32 -13.968 22.494 15.599 1.00 25.32 H new ATOM 0 HB3 LEU A 32 -12.843 21.974 14.360 1.00 25.32 H new ATOM 0 HG LEU A 32 -11.376 21.508 16.625 1.00 3.35 H new ATOM 0 HD11 LEU A 32 -12.866 20.363 18.217 1.00 32.04 H new ATOM 0 HD12 LEU A 32 -13.239 22.099 18.094 1.00 32.04 H new ATOM 0 HD13 LEU A 32 -14.278 20.906 17.279 1.00 32.04 H new ATOM 0 HD21 LEU A 32 -11.963 19.140 16.275 1.00 34.43 H new ATOM 0 HD22 LEU A 32 -13.338 19.636 15.260 1.00 34.43 H new ATOM 0 HD23 LEU A 32 -11.674 19.983 14.734 1.00 34.43 H new ATOM 439 N SER A 33 -10.505 22.910 13.914 1.00 33.14 N ATOM 440 CA SER A 33 -9.628 22.986 12.751 1.00 64.40 C ATOM 441 C SER A 33 -9.483 21.619 12.089 1.00 72.34 C ATOM 442 O SER A 33 -9.718 21.470 10.890 1.00 31.20 O ATOM 443 CB SER A 33 -8.252 23.518 13.159 1.00 22.13 C ATOM 444 OG SER A 33 -8.368 24.539 14.133 1.00 52.11 O ATOM 0 H SER A 33 -10.418 22.047 14.451 1.00 33.14 H new ATOM 0 HA SER A 33 -10.076 23.671 12.032 1.00 64.40 H new ATOM 0 HB2 SER A 33 -7.646 22.702 13.553 1.00 22.13 H new ATOM 0 HB3 SER A 33 -7.734 23.905 12.282 1.00 22.13 H new ATOM 0 HG SER A 33 -7.475 24.861 14.378 1.00 52.11 H new ATOM 450 N SER A 34 -9.093 20.625 12.880 1.00 34.43 N ATOM 451 CA SER A 34 -8.911 19.270 12.371 1.00 24.23 C ATOM 452 C SER A 34 -9.454 18.242 13.359 1.00 75.10 C ATOM 453 O SER A 34 -9.610 18.528 14.546 1.00 24.21 O ATOM 454 CB SER A 34 -7.432 18.999 12.096 1.00 52.03 C ATOM 455 OG SER A 34 -7.207 17.628 11.818 1.00 73.34 O ATOM 0 H SER A 34 -8.897 20.732 13.875 1.00 34.43 H new ATOM 0 HA SER A 34 -9.467 19.181 11.438 1.00 24.23 H new ATOM 0 HB2 SER A 34 -7.099 19.604 11.252 1.00 52.03 H new ATOM 0 HB3 SER A 34 -6.837 19.301 12.958 1.00 52.03 H new ATOM 0 HG SER A 34 -6.254 17.482 11.644 1.00 73.34 H new ATOM 461 N TRP A 35 -9.737 17.044 12.861 1.00 32.13 N ATOM 462 CA TRP A 35 -10.262 15.972 13.699 1.00 5.40 C ATOM 463 C TRP A 35 -9.447 14.696 13.524 1.00 15.23 C ATOM 464 O TRP A 35 -9.242 14.226 12.404 1.00 50.31 O ATOM 465 CB TRP A 35 -11.730 15.704 13.361 1.00 74.45 C ATOM 466 CG TRP A 35 -11.953 15.350 11.923 1.00 43.31 C ATOM 467 CD1 TRP A 35 -12.127 16.219 10.883 1.00 31.33 C ATOM 468 CD2 TRP A 35 -12.030 14.034 11.365 1.00 53.32 C ATOM 469 NE1 TRP A 35 -12.307 15.522 9.713 1.00 20.32 N ATOM 470 CE2 TRP A 35 -12.250 14.180 9.982 1.00 20.44 C ATOM 471 CE3 TRP A 35 -11.930 12.747 11.900 1.00 53.32 C ATOM 472 CZ2 TRP A 35 -12.374 13.086 9.129 1.00 75.35 C ATOM 473 CZ3 TRP A 35 -12.053 11.662 11.052 1.00 61.43 C ATOM 474 CH2 TRP A 35 -12.272 11.837 9.680 1.00 43.11 C ATOM 0 H TRP A 35 -9.612 16.790 11.881 1.00 32.13 H new ATOM 0 HA TRP A 35 -10.188 16.289 14.739 1.00 5.40 H new ATOM 0 HB2 TRP A 35 -12.098 14.892 13.989 1.00 74.45 H new ATOM 0 HB3 TRP A 35 -12.319 16.588 13.606 1.00 74.45 H new ATOM 0 HD1 TRP A 35 -12.124 17.296 10.968 1.00 31.33 H new ATOM 0 HE1 TRP A 35 -12.458 15.936 8.793 1.00 20.32 H new ATOM 0 HE3 TRP A 35 -11.760 12.602 12.957 1.00 53.32 H new ATOM 0 HZ2 TRP A 35 -12.545 13.218 8.071 1.00 75.35 H new ATOM 0 HZ3 TRP A 35 -11.979 10.663 11.455 1.00 61.43 H new ATOM 0 HH2 TRP A 35 -12.362 10.969 9.044 1.00 43.11 H new ATOM 485 N THR A 36 -8.983 14.137 14.637 1.00 54.34 N ATOM 486 CA THR A 36 -8.188 12.915 14.606 1.00 51.43 C ATOM 487 C THR A 36 -8.667 11.922 15.659 1.00 14.31 C ATOM 488 O THR A 36 -8.520 12.156 16.859 1.00 24.13 O ATOM 489 CB THR A 36 -6.694 13.211 14.837 1.00 12.25 C ATOM 490 OG1 THR A 36 -6.286 14.325 14.035 1.00 72.14 O ATOM 491 CG2 THR A 36 -5.844 11.996 14.496 1.00 72.03 C ATOM 0 H THR A 36 -9.144 14.511 15.572 1.00 54.34 H new ATOM 0 HA THR A 36 -8.315 12.479 13.615 1.00 51.43 H new ATOM 0 HB THR A 36 -6.552 13.451 15.891 1.00 12.25 H new ATOM 0 HG1 THR A 36 -5.336 14.508 14.189 1.00 72.14 H new ATOM 0 HG21 THR A 36 -4.793 12.228 14.667 1.00 72.03 H new ATOM 0 HG22 THR A 36 -6.138 11.158 15.128 1.00 72.03 H new ATOM 0 HG23 THR A 36 -5.992 11.731 13.449 1.00 72.03 H new ATOM 499 N VAL A 37 -9.236 10.812 15.202 1.00 23.10 N ATOM 500 CA VAL A 37 -9.735 9.781 16.105 1.00 33.43 C ATOM 501 C VAL A 37 -8.760 8.612 16.196 1.00 11.51 C ATOM 502 O VAL A 37 -8.655 7.807 15.271 1.00 72.51 O ATOM 503 CB VAL A 37 -11.110 9.255 15.653 1.00 21.24 C ATOM 504 CG1 VAL A 37 -11.751 8.420 16.752 1.00 52.53 C ATOM 505 CG2 VAL A 37 -12.016 10.409 15.252 1.00 31.01 C ATOM 0 H VAL A 37 -9.363 10.603 14.212 1.00 23.10 H new ATOM 0 HA VAL A 37 -9.837 10.243 17.087 1.00 33.43 H new ATOM 0 HB VAL A 37 -10.966 8.616 14.782 1.00 21.24 H new ATOM 0 HG11 VAL A 37 -12.722 8.057 16.414 1.00 52.53 H new ATOM 0 HG12 VAL A 37 -11.108 7.572 16.986 1.00 52.53 H new ATOM 0 HG13 VAL A 37 -11.883 9.032 17.644 1.00 52.53 H new ATOM 0 HG21 VAL A 37 -12.983 10.019 14.935 1.00 31.01 H new ATOM 0 HG22 VAL A 37 -12.154 11.076 16.103 1.00 31.01 H new ATOM 0 HG23 VAL A 37 -11.560 10.961 14.430 1.00 31.01 H new ATOM 515 N GLU A 38 -8.050 8.526 17.316 1.00 61.43 N ATOM 516 CA GLU A 38 -7.083 7.455 17.527 1.00 24.12 C ATOM 517 C GLU A 38 -7.489 6.580 18.711 1.00 43.14 C ATOM 518 O GLU A 38 -8.034 7.071 19.700 1.00 1.22 O ATOM 519 CB GLU A 38 -5.688 8.035 17.763 1.00 50.23 C ATOM 520 CG GLU A 38 -5.467 9.379 17.088 1.00 14.31 C ATOM 521 CD GLU A 38 -5.915 10.545 17.946 1.00 75.44 C ATOM 522 OE1 GLU A 38 -6.395 10.300 19.074 1.00 11.32 O ATOM 523 OE2 GLU A 38 -5.787 11.701 17.494 1.00 31.05 O ATOM 0 H GLU A 38 -8.126 9.185 18.091 1.00 61.43 H new ATOM 0 HA GLU A 38 -7.064 6.837 16.630 1.00 24.12 H new ATOM 0 HB2 GLU A 38 -5.526 8.145 18.835 1.00 50.23 H new ATOM 0 HB3 GLU A 38 -4.943 7.328 17.399 1.00 50.23 H new ATOM 0 HG2 GLU A 38 -4.409 9.493 16.852 1.00 14.31 H new ATOM 0 HG3 GLU A 38 -6.009 9.400 16.142 1.00 14.31 H new ATOM 530 N TRP A 39 -7.219 5.286 18.601 1.00 35.24 N ATOM 531 CA TRP A 39 -7.556 4.343 19.662 1.00 32.51 C ATOM 532 C TRP A 39 -6.518 3.229 19.751 1.00 41.22 C ATOM 533 O TRP A 39 -5.669 3.087 18.870 1.00 60.30 O ATOM 534 CB TRP A 39 -8.943 3.745 19.420 1.00 70.12 C ATOM 535 CG TRP A 39 -9.592 4.241 18.164 1.00 2.13 C ATOM 536 CD1 TRP A 39 -10.644 5.107 18.071 1.00 42.31 C ATOM 537 CD2 TRP A 39 -9.233 3.899 16.820 1.00 24.14 C ATOM 538 NE1 TRP A 39 -10.961 5.324 16.751 1.00 34.44 N ATOM 539 CE2 TRP A 39 -10.109 4.594 15.965 1.00 2.42 C ATOM 540 CE3 TRP A 39 -8.255 3.074 16.257 1.00 23.33 C ATOM 541 CZ2 TRP A 39 -10.036 4.488 14.578 1.00 31.32 C ATOM 542 CZ3 TRP A 39 -8.184 2.968 14.882 1.00 4.40 C ATOM 543 CH2 TRP A 39 -9.070 3.673 14.054 1.00 54.41 C ATOM 0 H TRP A 39 -6.768 4.865 17.789 1.00 35.24 H new ATOM 0 HA TRP A 39 -7.562 4.886 20.607 1.00 32.51 H new ATOM 0 HB2 TRP A 39 -8.860 2.659 19.373 1.00 70.12 H new ATOM 0 HB3 TRP A 39 -9.585 3.979 20.269 1.00 70.12 H new ATOM 0 HD1 TRP A 39 -11.152 5.556 18.912 1.00 42.31 H new ATOM 0 HE1 TRP A 39 -11.709 5.930 16.412 1.00 34.44 H new ATOM 0 HE3 TRP A 39 -7.567 2.529 16.886 1.00 23.33 H new ATOM 0 HZ2 TRP A 39 -10.718 5.030 13.939 1.00 31.32 H new ATOM 0 HZ3 TRP A 39 -7.434 2.332 14.437 1.00 4.40 H new ATOM 0 HH2 TRP A 39 -8.988 3.570 12.982 1.00 54.41 H new ATOM 554 N ASP A 40 -6.591 2.442 20.819 1.00 23.11 N ATOM 555 CA ASP A 40 -5.658 1.340 21.022 1.00 15.44 C ATOM 556 C ASP A 40 -6.274 0.017 20.576 1.00 12.50 C ATOM 557 O ASP A 40 -7.390 -0.323 20.969 1.00 13.54 O ATOM 558 CB ASP A 40 -5.247 1.256 22.492 1.00 54.22 C ATOM 559 CG ASP A 40 -3.790 1.619 22.707 1.00 43.10 C ATOM 560 OD1 ASP A 40 -3.365 2.686 22.216 1.00 63.41 O ATOM 561 OD2 ASP A 40 -3.074 0.836 23.367 1.00 30.30 O ATOM 0 H ASP A 40 -7.287 2.547 21.557 1.00 23.11 H new ATOM 0 HA ASP A 40 -4.772 1.530 20.416 1.00 15.44 H new ATOM 0 HB2 ASP A 40 -5.876 1.924 23.081 1.00 54.22 H new ATOM 0 HB3 ASP A 40 -5.425 0.245 22.859 1.00 54.22 H new ATOM 566 N PHE A 41 -5.539 -0.724 19.753 1.00 61.24 N ATOM 567 CA PHE A 41 -6.014 -2.009 19.252 1.00 40.12 C ATOM 568 C PHE A 41 -5.175 -3.154 19.811 1.00 53.30 C ATOM 569 O PHE A 41 -4.321 -3.721 19.129 1.00 11.20 O ATOM 570 CB PHE A 41 -5.974 -2.030 17.723 1.00 32.34 C ATOM 571 CG PHE A 41 -7.267 -1.612 17.083 1.00 74.34 C ATOM 572 CD1 PHE A 41 -8.473 -2.138 17.519 1.00 52.42 C ATOM 573 CD2 PHE A 41 -7.277 -0.693 16.048 1.00 50.41 C ATOM 574 CE1 PHE A 41 -9.663 -1.755 16.932 1.00 24.03 C ATOM 575 CE2 PHE A 41 -8.465 -0.306 15.457 1.00 41.11 C ATOM 576 CZ PHE A 41 -9.660 -0.837 15.900 1.00 60.44 C ATOM 0 H PHE A 41 -4.613 -0.457 19.419 1.00 61.24 H new ATOM 0 HA PHE A 41 -7.044 -2.142 19.583 1.00 40.12 H new ATOM 0 HB2 PHE A 41 -5.178 -1.370 17.379 1.00 32.34 H new ATOM 0 HB3 PHE A 41 -5.721 -3.036 17.388 1.00 32.34 H new ATOM 0 HD1 PHE A 41 -8.482 -2.855 18.326 1.00 52.42 H new ATOM 0 HD2 PHE A 41 -6.345 -0.273 15.698 1.00 50.41 H new ATOM 0 HE1 PHE A 41 -10.596 -2.173 17.280 1.00 24.03 H new ATOM 0 HE2 PHE A 41 -8.459 0.411 14.649 1.00 41.11 H new ATOM 0 HZ PHE A 41 -10.590 -0.535 15.441 1.00 60.44 H new ATOM 586 N PRO A 42 -5.421 -3.503 21.082 1.00 70.01 N ATOM 587 CA PRO A 42 -4.698 -4.583 21.761 1.00 61.12 C ATOM 588 C PRO A 42 -5.061 -5.958 21.211 1.00 53.31 C ATOM 589 O PRO A 42 -4.184 -6.757 20.882 1.00 32.12 O ATOM 590 CB PRO A 42 -5.153 -4.452 23.218 1.00 11.25 C ATOM 591 CG PRO A 42 -6.487 -3.792 23.140 1.00 34.34 C ATOM 592 CD PRO A 42 -6.424 -2.870 21.955 1.00 11.14 C ATOM 0 HA PRO A 42 -3.619 -4.499 21.627 1.00 61.12 H new ATOM 0 HB2 PRO A 42 -5.221 -5.427 23.701 1.00 11.25 H new ATOM 0 HB3 PRO A 42 -4.450 -3.856 23.800 1.00 11.25 H new ATOM 0 HG2 PRO A 42 -7.281 -4.529 23.019 1.00 34.34 H new ATOM 0 HG3 PRO A 42 -6.703 -3.239 24.054 1.00 34.34 H new ATOM 0 HD2 PRO A 42 -7.391 -2.786 21.460 1.00 11.14 H new ATOM 0 HD3 PRO A 42 -6.125 -1.863 22.245 1.00 11.14 H new ATOM 600 N THR A 43 -6.359 -6.228 21.112 1.00 75.30 N ATOM 601 CA THR A 43 -6.836 -7.507 20.603 1.00 63.20 C ATOM 602 C THR A 43 -6.602 -7.623 19.101 1.00 61.14 C ATOM 603 O THR A 43 -6.695 -6.637 18.370 1.00 72.55 O ATOM 604 CB THR A 43 -8.337 -7.702 20.893 1.00 42.24 C ATOM 605 OG1 THR A 43 -9.021 -6.447 20.798 1.00 4.25 O ATOM 606 CG2 THR A 43 -8.548 -8.296 22.277 1.00 70.01 C ATOM 0 H THR A 43 -7.098 -5.578 21.378 1.00 75.30 H new ATOM 0 HA THR A 43 -6.269 -8.283 21.117 1.00 63.20 H new ATOM 0 HB THR A 43 -8.741 -8.393 20.153 1.00 42.24 H new ATOM 0 HG1 THR A 43 -9.974 -6.579 20.982 1.00 4.25 H new ATOM 0 HG21 THR A 43 -9.615 -8.424 22.459 1.00 70.01 H new ATOM 0 HG22 THR A 43 -8.051 -9.264 22.337 1.00 70.01 H new ATOM 0 HG23 THR A 43 -8.130 -7.626 23.028 1.00 70.01 H new ATOM 614 N GLY A 44 -6.297 -8.835 18.646 1.00 43.31 N ATOM 615 CA GLY A 44 -6.054 -9.056 17.232 1.00 64.55 C ATOM 616 C GLY A 44 -6.949 -8.209 16.350 1.00 32.02 C ATOM 617 O GLY A 44 -8.107 -8.555 16.112 1.00 42.13 O ATOM 0 H GLY A 44 -6.214 -9.667 19.231 1.00 43.31 H new ATOM 0 HA2 GLY A 44 -5.011 -8.833 17.007 1.00 64.55 H new ATOM 0 HA3 GLY A 44 -6.212 -10.109 17.000 1.00 64.55 H new ATOM 621 N THR A 45 -6.414 -7.093 15.864 1.00 53.21 N ATOM 622 CA THR A 45 -7.173 -6.193 15.006 1.00 53.45 C ATOM 623 C THR A 45 -6.248 -5.380 14.107 1.00 74.05 C ATOM 624 O THR A 45 -5.079 -5.167 14.432 1.00 51.25 O ATOM 625 CB THR A 45 -8.043 -5.228 15.833 1.00 63.12 C ATOM 626 OG1 THR A 45 -7.272 -4.666 16.901 1.00 2.10 O ATOM 627 CG2 THR A 45 -9.257 -5.948 16.402 1.00 64.04 C ATOM 0 H THR A 45 -5.458 -6.791 16.050 1.00 53.21 H new ATOM 0 HA THR A 45 -7.820 -6.816 14.389 1.00 53.45 H new ATOM 0 HB THR A 45 -8.388 -4.430 15.175 1.00 63.12 H new ATOM 0 HG1 THR A 45 -7.716 -3.859 17.235 1.00 2.10 H new ATOM 0 HG21 THR A 45 -9.857 -5.247 16.982 1.00 64.04 H new ATOM 0 HG22 THR A 45 -9.857 -6.350 15.586 1.00 64.04 H new ATOM 0 HG23 THR A 45 -8.928 -6.763 17.046 1.00 64.04 H new ATOM 635 N LYS A 46 -6.777 -4.926 12.977 1.00 2.23 N ATOM 636 CA LYS A 46 -5.999 -4.135 12.031 1.00 41.20 C ATOM 637 C LYS A 46 -6.882 -3.615 10.900 1.00 63.35 C ATOM 638 O LYS A 46 -7.633 -4.374 10.287 1.00 41.41 O ATOM 639 CB LYS A 46 -4.855 -4.971 11.454 1.00 50.12 C ATOM 640 CG LYS A 46 -5.280 -6.359 11.010 1.00 10.14 C ATOM 641 CD LYS A 46 -4.702 -7.435 11.914 1.00 30.51 C ATOM 642 CE LYS A 46 -3.242 -7.709 11.591 1.00 34.54 C ATOM 643 NZ LYS A 46 -2.408 -7.797 12.822 1.00 33.10 N ATOM 0 H LYS A 46 -7.743 -5.092 12.693 1.00 2.23 H new ATOM 0 HA LYS A 46 -5.583 -3.281 12.566 1.00 41.20 H new ATOM 0 HB2 LYS A 46 -4.423 -4.443 10.604 1.00 50.12 H new ATOM 0 HB3 LYS A 46 -4.069 -5.063 12.204 1.00 50.12 H new ATOM 0 HG2 LYS A 46 -6.368 -6.426 11.013 1.00 10.14 H new ATOM 0 HG3 LYS A 46 -4.953 -6.530 9.984 1.00 10.14 H new ATOM 0 HD2 LYS A 46 -4.793 -7.125 12.955 1.00 30.51 H new ATOM 0 HD3 LYS A 46 -5.279 -8.353 11.803 1.00 30.51 H new ATOM 0 HE2 LYS A 46 -3.163 -8.641 11.031 1.00 34.54 H new ATOM 0 HE3 LYS A 46 -2.858 -6.917 10.948 1.00 34.54 H new ATOM 0 HZ1 LYS A 46 -1.419 -7.985 12.559 1.00 33.10 H new ATOM 0 HZ2 LYS A 46 -2.463 -6.899 13.344 1.00 33.10 H new ATOM 0 HZ3 LYS A 46 -2.758 -8.569 13.424 1.00 33.10 H new ATOM 657 N VAL A 47 -6.788 -2.317 10.631 1.00 65.53 N ATOM 658 CA VAL A 47 -7.577 -1.696 9.573 1.00 73.01 C ATOM 659 C VAL A 47 -6.946 -1.933 8.206 1.00 14.33 C ATOM 660 O VAL A 47 -6.099 -1.159 7.756 1.00 73.51 O ATOM 661 CB VAL A 47 -7.727 -0.180 9.801 1.00 23.55 C ATOM 662 CG1 VAL A 47 -8.517 0.454 8.666 1.00 40.03 C ATOM 663 CG2 VAL A 47 -8.391 0.093 11.142 1.00 40.32 C ATOM 0 H VAL A 47 -6.173 -1.675 11.131 1.00 65.53 H new ATOM 0 HA VAL A 47 -8.563 -2.159 9.600 1.00 73.01 H new ATOM 0 HB VAL A 47 -6.734 0.269 9.815 1.00 23.55 H new ATOM 0 HG11 VAL A 47 -8.613 1.525 8.844 1.00 40.03 H new ATOM 0 HG12 VAL A 47 -7.996 0.288 7.723 1.00 40.03 H new ATOM 0 HG13 VAL A 47 -9.508 0.004 8.617 1.00 40.03 H new ATOM 0 HG21 VAL A 47 -8.489 1.169 11.287 1.00 40.32 H new ATOM 0 HG22 VAL A 47 -9.379 -0.367 11.159 1.00 40.32 H new ATOM 0 HG23 VAL A 47 -7.781 -0.327 11.942 1.00 40.32 H new ATOM 673 N THR A 48 -7.363 -3.010 7.546 1.00 53.43 N ATOM 674 CA THR A 48 -6.838 -3.350 6.230 1.00 62.12 C ATOM 675 C THR A 48 -7.185 -2.276 5.205 1.00 61.42 C ATOM 676 O THR A 48 -6.368 -1.932 4.351 1.00 71.32 O ATOM 677 CB THR A 48 -7.383 -4.705 5.741 1.00 72.00 C ATOM 678 OG1 THR A 48 -6.888 -4.987 4.427 1.00 75.44 O ATOM 679 CG2 THR A 48 -8.905 -4.703 5.726 1.00 12.32 C ATOM 0 H THR A 48 -8.063 -3.661 7.902 1.00 53.43 H new ATOM 0 HA THR A 48 -5.755 -3.417 6.330 1.00 62.12 H new ATOM 0 HB THR A 48 -7.043 -5.478 6.430 1.00 72.00 H new ATOM 0 HG1 THR A 48 -7.238 -5.851 4.124 1.00 75.44 H new ATOM 0 HG21 THR A 48 -9.267 -5.670 5.377 1.00 12.32 H new ATOM 0 HG22 THR A 48 -9.279 -4.518 6.733 1.00 12.32 H new ATOM 0 HG23 THR A 48 -9.261 -3.920 5.057 1.00 12.32 H new ATOM 687 N SER A 49 -8.402 -1.750 5.295 1.00 71.53 N ATOM 688 CA SER A 49 -8.859 -0.716 4.373 1.00 13.04 C ATOM 689 C SER A 49 -9.595 0.392 5.120 1.00 22.44 C ATOM 690 O SER A 49 -10.155 0.166 6.192 1.00 31.22 O ATOM 691 CB SER A 49 -9.772 -1.322 3.306 1.00 23.25 C ATOM 692 OG SER A 49 -9.062 -1.562 2.103 1.00 3.23 O ATOM 0 H SER A 49 -9.090 -2.023 5.997 1.00 71.53 H new ATOM 0 HA SER A 49 -7.984 -0.283 3.889 1.00 13.04 H new ATOM 0 HB2 SER A 49 -10.196 -2.256 3.674 1.00 23.25 H new ATOM 0 HB3 SER A 49 -10.606 -0.648 3.111 1.00 23.25 H new ATOM 0 HG SER A 49 -9.668 -1.951 1.438 1.00 3.23 H new ATOM 698 N ALA A 50 -9.590 1.589 4.544 1.00 22.44 N ATOM 699 CA ALA A 50 -10.260 2.732 5.153 1.00 33.13 C ATOM 700 C ALA A 50 -10.727 3.723 4.093 1.00 51.42 C ATOM 701 O ALA A 50 -10.075 3.898 3.063 1.00 31.41 O ATOM 702 CB ALA A 50 -9.334 3.417 6.148 1.00 35.31 C ATOM 0 H ALA A 50 -9.130 1.793 3.657 1.00 22.44 H new ATOM 0 HA ALA A 50 -11.139 2.367 5.683 1.00 33.13 H new ATOM 0 HB1 ALA A 50 -9.847 4.269 6.595 1.00 35.31 H new ATOM 0 HB2 ALA A 50 -9.053 2.711 6.930 1.00 35.31 H new ATOM 0 HB3 ALA A 50 -8.438 3.763 5.633 1.00 35.31 H new ATOM 708 N TRP A 51 -11.857 4.369 4.352 1.00 2.42 N ATOM 709 CA TRP A 51 -12.412 5.344 3.418 1.00 14.04 C ATOM 710 C TRP A 51 -12.890 6.591 4.153 1.00 73.43 C ATOM 711 O TRP A 51 -13.412 6.506 5.264 1.00 73.44 O ATOM 712 CB TRP A 51 -13.570 4.725 2.631 1.00 55.35 C ATOM 713 CG TRP A 51 -14.581 4.043 3.501 1.00 74.31 C ATOM 714 CD1 TRP A 51 -15.535 4.641 4.273 1.00 12.13 C ATOM 715 CD2 TRP A 51 -14.737 2.632 3.689 1.00 73.41 C ATOM 716 NE1 TRP A 51 -16.276 3.687 4.929 1.00 53.22 N ATOM 717 CE2 TRP A 51 -15.806 2.447 4.587 1.00 74.02 C ATOM 718 CE3 TRP A 51 -14.079 1.507 3.185 1.00 20.11 C ATOM 719 CZ2 TRP A 51 -16.229 1.183 4.990 1.00 71.14 C ATOM 720 CZ3 TRP A 51 -14.499 0.253 3.586 1.00 63.52 C ATOM 721 CH2 TRP A 51 -15.567 0.099 4.481 1.00 71.24 C ATOM 0 H TRP A 51 -12.408 4.236 5.200 1.00 2.42 H new ATOM 0 HA TRP A 51 -11.624 5.634 2.723 1.00 14.04 H new ATOM 0 HB2 TRP A 51 -14.066 5.505 2.053 1.00 55.35 H new ATOM 0 HB3 TRP A 51 -13.171 4.005 1.917 1.00 55.35 H new ATOM 0 HD1 TRP A 51 -15.685 5.707 4.356 1.00 12.13 H new ATOM 0 HE1 TRP A 51 -17.050 3.873 5.567 1.00 53.22 H new ATOM 0 HE3 TRP A 51 -13.256 1.616 2.494 1.00 20.11 H new ATOM 0 HZ2 TRP A 51 -17.051 1.062 5.680 1.00 71.14 H new ATOM 0 HZ3 TRP A 51 -13.996 -0.623 3.204 1.00 63.52 H new ATOM 0 HH2 TRP A 51 -15.873 -0.894 4.774 1.00 71.24 H new ATOM 732 N ASP A 52 -12.708 7.748 3.526 1.00 34.34 N ATOM 733 CA ASP A 52 -13.122 9.013 4.120 1.00 71.11 C ATOM 734 C ASP A 52 -12.334 9.298 5.396 1.00 55.33 C ATOM 735 O ASP A 52 -12.712 10.156 6.193 1.00 3.54 O ATOM 736 CB ASP A 52 -14.620 8.992 4.426 1.00 72.11 C ATOM 737 CG ASP A 52 -15.282 10.331 4.171 1.00 42.40 C ATOM 738 OD1 ASP A 52 -15.435 10.700 2.987 1.00 62.33 O ATOM 739 OD2 ASP A 52 -15.648 11.010 5.152 1.00 70.34 O ATOM 0 H ASP A 52 -12.276 7.836 2.606 1.00 34.34 H new ATOM 0 HA ASP A 52 -12.917 9.807 3.402 1.00 71.11 H new ATOM 0 HB2 ASP A 52 -15.102 8.229 3.814 1.00 72.11 H new ATOM 0 HB3 ASP A 52 -14.771 8.708 5.467 1.00 72.11 H new ATOM 744 N ALA A 53 -11.237 8.571 5.583 1.00 2.03 N ATOM 745 CA ALA A 53 -10.396 8.746 6.760 1.00 3.42 C ATOM 746 C ALA A 53 -9.113 7.929 6.644 1.00 64.54 C ATOM 747 O ALA A 53 -9.139 6.701 6.720 1.00 32.21 O ATOM 748 CB ALA A 53 -11.160 8.358 8.017 1.00 42.35 C ATOM 0 H ALA A 53 -10.910 7.855 4.934 1.00 2.03 H new ATOM 0 HA ALA A 53 -10.121 9.799 6.826 1.00 3.42 H new ATOM 0 HB1 ALA A 53 -10.520 8.494 8.888 1.00 42.35 H new ATOM 0 HB2 ALA A 53 -12.044 8.988 8.115 1.00 42.35 H new ATOM 0 HB3 ALA A 53 -11.465 7.314 7.950 1.00 42.35 H new ATOM 754 N THR A 54 -7.992 8.619 6.461 1.00 44.11 N ATOM 755 CA THR A 54 -6.699 7.957 6.333 1.00 63.34 C ATOM 756 C THR A 54 -6.265 7.340 7.658 1.00 3.21 C ATOM 757 O THR A 54 -5.813 8.043 8.562 1.00 72.11 O ATOM 758 CB THR A 54 -5.612 8.937 5.854 1.00 13.21 C ATOM 759 OG1 THR A 54 -5.934 9.427 4.547 1.00 72.03 O ATOM 760 CG2 THR A 54 -4.249 8.261 5.826 1.00 25.10 C ATOM 0 H THR A 54 -7.953 9.636 6.398 1.00 44.11 H new ATOM 0 HA THR A 54 -6.818 7.168 5.590 1.00 63.34 H new ATOM 0 HB THR A 54 -5.573 9.771 6.554 1.00 13.21 H new ATOM 0 HG1 THR A 54 -5.238 10.051 4.251 1.00 72.03 H new ATOM 0 HG21 THR A 54 -3.497 8.972 5.485 1.00 25.10 H new ATOM 0 HG22 THR A 54 -3.993 7.916 6.828 1.00 25.10 H new ATOM 0 HG23 THR A 54 -4.279 7.410 5.146 1.00 25.10 H new ATOM 768 N VAL A 55 -6.403 6.023 7.765 1.00 3.41 N ATOM 769 CA VAL A 55 -6.023 5.311 8.979 1.00 12.21 C ATOM 770 C VAL A 55 -4.556 4.895 8.935 1.00 12.25 C ATOM 771 O VAL A 55 -4.062 4.426 7.909 1.00 51.23 O ATOM 772 CB VAL A 55 -6.894 4.059 9.192 1.00 33.24 C ATOM 773 CG1 VAL A 55 -6.602 3.429 10.545 1.00 63.30 C ATOM 774 CG2 VAL A 55 -8.368 4.409 9.064 1.00 25.01 C ATOM 0 H VAL A 55 -6.775 5.427 7.026 1.00 3.41 H new ATOM 0 HA VAL A 55 -6.179 5.998 9.811 1.00 12.21 H new ATOM 0 HB VAL A 55 -6.649 3.331 8.419 1.00 33.24 H new ATOM 0 HG11 VAL A 55 -7.227 2.546 10.678 1.00 63.30 H new ATOM 0 HG12 VAL A 55 -5.552 3.141 10.593 1.00 63.30 H new ATOM 0 HG13 VAL A 55 -6.818 4.148 11.335 1.00 63.30 H new ATOM 0 HG21 VAL A 55 -8.969 3.513 9.217 1.00 25.01 H new ATOM 0 HG22 VAL A 55 -8.631 5.155 9.814 1.00 25.01 H new ATOM 0 HG23 VAL A 55 -8.562 4.810 8.069 1.00 25.01 H new ATOM 784 N THR A 56 -3.864 5.068 10.056 1.00 41.54 N ATOM 785 CA THR A 56 -2.454 4.712 10.146 1.00 55.00 C ATOM 786 C THR A 56 -2.184 3.836 11.365 1.00 62.12 C ATOM 787 O THR A 56 -2.760 4.047 12.432 1.00 61.12 O ATOM 788 CB THR A 56 -1.560 5.965 10.222 1.00 4.22 C ATOM 789 OG1 THR A 56 -1.562 6.644 8.961 1.00 24.33 O ATOM 790 CG2 THR A 56 -0.136 5.592 10.600 1.00 51.42 C ATOM 0 H THR A 56 -4.257 5.453 10.915 1.00 41.54 H new ATOM 0 HA THR A 56 -2.212 4.156 9.240 1.00 55.00 H new ATOM 0 HB THR A 56 -1.961 6.625 10.991 1.00 4.22 H new ATOM 0 HG1 THR A 56 -0.993 7.440 9.017 1.00 24.33 H new ATOM 0 HG21 THR A 56 0.476 6.493 10.647 1.00 51.42 H new ATOM 0 HG22 THR A 56 -0.135 5.101 11.573 1.00 51.42 H new ATOM 0 HG23 THR A 56 0.274 4.914 9.851 1.00 51.42 H new ATOM 798 N ASN A 57 -1.305 2.853 11.200 1.00 44.50 N ATOM 799 CA ASN A 57 -0.960 1.946 12.288 1.00 53.43 C ATOM 800 C ASN A 57 0.416 2.277 12.857 1.00 52.32 C ATOM 801 O ASN A 57 1.248 2.884 12.182 1.00 53.03 O ATOM 802 CB ASN A 57 -0.986 0.496 11.799 1.00 42.31 C ATOM 803 CG ASN A 57 0.342 0.061 11.210 1.00 0.13 C ATOM 804 OD1 ASN A 57 0.825 0.647 10.240 1.00 14.12 O ATOM 805 ND2 ASN A 57 0.938 -0.972 11.793 1.00 30.11 N ATOM 0 H ASN A 57 -0.819 2.664 10.323 1.00 44.50 H new ATOM 0 HA ASN A 57 -1.700 2.070 13.079 1.00 53.43 H new ATOM 0 HB2 ASN A 57 -1.244 -0.160 12.630 1.00 42.31 H new ATOM 0 HB3 ASN A 57 -1.768 0.382 11.048 1.00 42.31 H new ATOM 0 HD21 ASN A 57 1.833 -1.311 11.439 1.00 30.11 H new ATOM 0 HD22 ASN A 57 0.501 -1.427 12.594 1.00 30.11 H new ATOM 812 N SER A 58 0.649 1.876 14.102 1.00 31.15 N ATOM 813 CA SER A 58 1.922 2.132 14.764 1.00 55.52 C ATOM 814 C SER A 58 2.119 1.192 15.949 1.00 2.51 C ATOM 815 O SER A 58 1.803 1.536 17.088 1.00 14.55 O ATOM 816 CB SER A 58 1.993 3.587 15.234 1.00 22.55 C ATOM 817 OG SER A 58 2.593 4.411 14.252 1.00 1.50 O ATOM 0 H SER A 58 -0.029 1.372 14.674 1.00 31.15 H new ATOM 0 HA SER A 58 2.720 1.951 14.044 1.00 55.52 H new ATOM 0 HB2 SER A 58 0.989 3.951 15.454 1.00 22.55 H new ATOM 0 HB3 SER A 58 2.564 3.646 16.161 1.00 22.55 H new ATOM 0 HG SER A 58 2.308 4.119 13.361 1.00 1.50 H new ATOM 823 N GLY A 59 2.643 0.002 15.672 1.00 21.52 N ATOM 824 CA GLY A 59 2.873 -0.971 16.725 1.00 42.34 C ATOM 825 C GLY A 59 1.585 -1.584 17.239 1.00 51.35 C ATOM 826 O GLY A 59 1.108 -2.585 16.703 1.00 51.34 O ATOM 0 H GLY A 59 2.912 -0.306 14.738 1.00 21.52 H new ATOM 0 HA2 GLY A 59 3.523 -1.761 16.350 1.00 42.34 H new ATOM 0 HA3 GLY A 59 3.398 -0.491 17.551 1.00 42.34 H new ATOM 830 N ASP A 60 1.020 -0.983 18.281 1.00 54.34 N ATOM 831 CA ASP A 60 -0.220 -1.476 18.868 1.00 61.24 C ATOM 832 C ASP A 60 -1.264 -0.366 18.943 1.00 11.24 C ATOM 833 O ASP A 60 -2.327 -0.538 19.541 1.00 32.22 O ATOM 834 CB ASP A 60 0.042 -2.041 20.265 1.00 42.43 C ATOM 835 CG ASP A 60 -1.057 -2.978 20.726 1.00 51.42 C ATOM 836 OD1 ASP A 60 -1.526 -3.792 19.903 1.00 11.43 O ATOM 837 OD2 ASP A 60 -1.450 -2.897 21.908 1.00 75.12 O ATOM 0 H ASP A 60 1.401 -0.154 18.736 1.00 54.34 H new ATOM 0 HA ASP A 60 -0.605 -2.271 18.229 1.00 61.24 H new ATOM 0 HB2 ASP A 60 0.993 -2.573 20.266 1.00 42.43 H new ATOM 0 HB3 ASP A 60 0.136 -1.219 20.975 1.00 42.43 H new ATOM 842 N HIS A 61 -0.955 0.773 18.331 1.00 43.41 N ATOM 843 CA HIS A 61 -1.867 1.911 18.328 1.00 53.21 C ATOM 844 C HIS A 61 -2.193 2.343 16.902 1.00 14.24 C ATOM 845 O HIS A 61 -1.358 2.235 16.004 1.00 35.31 O ATOM 846 CB HIS A 61 -1.257 3.081 19.101 1.00 4.30 C ATOM 847 CG HIS A 61 -2.011 4.366 18.935 1.00 21.32 C ATOM 848 ND1 HIS A 61 -2.870 4.863 19.892 1.00 3.33 N ATOM 849 CD2 HIS A 61 -2.029 5.256 17.916 1.00 21.12 C ATOM 850 CE1 HIS A 61 -3.386 6.003 19.468 1.00 51.04 C ATOM 851 NE2 HIS A 61 -2.890 6.265 18.271 1.00 21.53 N ATOM 0 H HIS A 61 -0.080 0.932 17.831 1.00 43.41 H new ATOM 0 HA HIS A 61 -2.792 1.605 18.816 1.00 53.21 H new ATOM 0 HB2 HIS A 61 -1.219 2.826 20.160 1.00 4.30 H new ATOM 0 HB3 HIS A 61 -0.229 3.227 18.771 1.00 4.30 H new ATOM 0 HD1 HIS A 61 -3.075 4.420 20.787 1.00 3.33 H new ATOM 0 HD2 HIS A 61 -1.470 5.186 16.995 1.00 21.12 H new ATOM 0 HE1 HIS A 61 -4.093 6.616 20.007 1.00 51.04 H new ATOM 859 N TRP A 62 -3.412 2.830 16.701 1.00 40.40 N ATOM 860 CA TRP A 62 -3.848 3.276 15.383 1.00 4.31 C ATOM 861 C TRP A 62 -4.423 4.687 15.448 1.00 40.51 C ATOM 862 O TRP A 62 -4.856 5.144 16.507 1.00 2.21 O ATOM 863 CB TRP A 62 -4.892 2.313 14.814 1.00 52.25 C ATOM 864 CG TRP A 62 -4.335 0.963 14.480 1.00 54.34 C ATOM 865 CD1 TRP A 62 -3.835 0.043 15.356 1.00 72.21 C ATOM 866 CD2 TRP A 62 -4.218 0.383 13.176 1.00 51.24 C ATOM 867 NE1 TRP A 62 -3.415 -1.075 14.676 1.00 50.14 N ATOM 868 CE2 TRP A 62 -3.640 -0.891 13.338 1.00 14.55 C ATOM 869 CE3 TRP A 62 -4.547 0.815 11.889 1.00 24.05 C ATOM 870 CZ2 TRP A 62 -3.385 -1.735 12.259 1.00 72.44 C ATOM 871 CZ3 TRP A 62 -4.293 -0.023 10.819 1.00 35.31 C ATOM 872 CH2 TRP A 62 -3.717 -1.287 11.010 1.00 43.35 C ATOM 0 H TRP A 62 -4.116 2.926 17.433 1.00 40.40 H new ATOM 0 HA TRP A 62 -2.978 3.287 14.726 1.00 4.31 H new ATOM 0 HB2 TRP A 62 -5.700 2.196 15.536 1.00 52.25 H new ATOM 0 HB3 TRP A 62 -5.328 2.751 13.916 1.00 52.25 H new ATOM 0 HD1 TRP A 62 -3.778 0.174 16.426 1.00 72.21 H new ATOM 0 HE1 TRP A 62 -3.003 -1.906 15.099 1.00 50.14 H new ATOM 0 HE3 TRP A 62 -4.992 1.787 11.732 1.00 24.05 H new ATOM 0 HZ2 TRP A 62 -2.941 -2.709 12.404 1.00 72.44 H new ATOM 0 HZ3 TRP A 62 -4.542 0.301 9.820 1.00 35.31 H new ATOM 0 HH2 TRP A 62 -3.532 -1.919 10.154 1.00 43.35 H new ATOM 883 N THR A 63 -4.424 5.375 14.310 1.00 14.10 N ATOM 884 CA THR A 63 -4.944 6.735 14.240 1.00 13.33 C ATOM 885 C THR A 63 -5.707 6.964 12.941 1.00 23.41 C ATOM 886 O THR A 63 -5.400 6.360 11.913 1.00 34.30 O ATOM 887 CB THR A 63 -3.813 7.775 14.348 1.00 42.51 C ATOM 888 OG1 THR A 63 -4.367 9.093 14.445 1.00 21.23 O ATOM 889 CG2 THR A 63 -2.889 7.697 13.142 1.00 13.14 C ATOM 0 H THR A 63 -4.071 5.012 13.425 1.00 14.10 H new ATOM 0 HA THR A 63 -5.623 6.859 15.084 1.00 13.33 H new ATOM 0 HB THR A 63 -3.234 7.557 15.245 1.00 42.51 H new ATOM 0 HG1 THR A 63 -3.751 9.671 14.942 1.00 21.23 H new ATOM 0 HG21 THR A 63 -2.098 8.441 13.241 1.00 13.14 H new ATOM 0 HG22 THR A 63 -2.447 6.702 13.086 1.00 13.14 H new ATOM 0 HG23 THR A 63 -3.459 7.892 12.234 1.00 13.14 H new ATOM 897 N ALA A 64 -6.704 7.842 12.993 1.00 24.23 N ATOM 898 CA ALA A 64 -7.511 8.153 11.820 1.00 12.45 C ATOM 899 C ALA A 64 -7.589 9.658 11.590 1.00 61.52 C ATOM 900 O ALA A 64 -7.869 10.423 12.513 1.00 54.53 O ATOM 901 CB ALA A 64 -8.908 7.566 11.967 1.00 73.25 C ATOM 0 H ALA A 64 -6.972 8.350 13.836 1.00 24.23 H new ATOM 0 HA ALA A 64 -7.030 7.703 10.951 1.00 12.45 H new ATOM 0 HB1 ALA A 64 -9.499 7.807 11.083 1.00 73.25 H new ATOM 0 HB2 ALA A 64 -8.838 6.483 12.073 1.00 73.25 H new ATOM 0 HB3 ALA A 64 -9.388 7.987 12.850 1.00 73.25 H new ATOM 907 N LYS A 65 -7.339 10.077 10.354 1.00 33.11 N ATOM 908 CA LYS A 65 -7.381 11.491 10.002 1.00 43.22 C ATOM 909 C LYS A 65 -7.687 11.674 8.519 1.00 23.34 C ATOM 910 O LYS A 65 -7.161 10.952 7.674 1.00 30.11 O ATOM 911 CB LYS A 65 -6.049 12.163 10.345 1.00 62.13 C ATOM 912 CG LYS A 65 -4.847 11.490 9.706 1.00 53.24 C ATOM 913 CD LYS A 65 -4.315 10.361 10.571 1.00 54.21 C ATOM 914 CE LYS A 65 -3.064 10.781 11.329 1.00 14.04 C ATOM 915 NZ LYS A 65 -3.377 11.211 12.720 1.00 60.44 N ATOM 0 H LYS A 65 -7.105 9.457 9.579 1.00 33.11 H new ATOM 0 HA LYS A 65 -8.177 11.960 10.580 1.00 43.22 H new ATOM 0 HB2 LYS A 65 -6.084 13.205 10.026 1.00 62.13 H new ATOM 0 HB3 LYS A 65 -5.921 12.166 11.427 1.00 62.13 H new ATOM 0 HG2 LYS A 65 -5.125 11.099 8.727 1.00 53.24 H new ATOM 0 HG3 LYS A 65 -4.060 12.227 9.543 1.00 53.24 H new ATOM 0 HD2 LYS A 65 -5.084 10.050 11.279 1.00 54.21 H new ATOM 0 HD3 LYS A 65 -4.090 9.497 9.946 1.00 54.21 H new ATOM 0 HE2 LYS A 65 -2.359 9.950 11.356 1.00 14.04 H new ATOM 0 HE3 LYS A 65 -2.574 11.597 10.798 1.00 14.04 H new ATOM 0 HZ1 LYS A 65 -2.494 11.441 13.219 1.00 60.44 H new ATOM 0 HZ2 LYS A 65 -3.989 12.052 12.694 1.00 60.44 H new ATOM 0 HZ3 LYS A 65 -3.867 10.441 13.219 1.00 60.44 H new ATOM 929 N ASN A 66 -8.542 12.645 8.212 1.00 55.42 N ATOM 930 CA ASN A 66 -8.917 12.923 6.830 1.00 42.44 C ATOM 931 C ASN A 66 -8.487 14.329 6.422 1.00 2.02 C ATOM 932 O ASN A 66 -8.281 14.609 5.241 1.00 32.24 O ATOM 933 CB ASN A 66 -10.429 12.767 6.650 1.00 14.54 C ATOM 934 CG ASN A 66 -10.800 12.314 5.250 1.00 54.35 C ATOM 935 OD1 ASN A 66 -10.301 11.300 4.761 1.00 53.32 O ATOM 936 ND2 ASN A 66 -11.680 13.066 4.600 1.00 42.23 N ATOM 0 H ASN A 66 -8.987 13.251 8.901 1.00 55.42 H new ATOM 0 HA ASN A 66 -8.405 12.206 6.189 1.00 42.44 H new ATOM 0 HB2 ASN A 66 -10.806 12.045 7.375 1.00 14.54 H new ATOM 0 HB3 ASN A 66 -10.918 13.718 6.863 1.00 14.54 H new ATOM 0 HD21 ASN A 66 -11.969 12.812 3.655 1.00 42.23 H new ATOM 0 HD22 ASN A 66 -12.067 13.898 5.045 1.00 42.23 H new ATOM 943 N VAL A 67 -8.354 15.210 7.407 1.00 43.13 N ATOM 944 CA VAL A 67 -7.947 16.587 7.152 1.00 24.03 C ATOM 945 C VAL A 67 -6.481 16.803 7.511 1.00 22.42 C ATOM 946 O VAL A 67 -6.111 17.842 8.055 1.00 53.12 O ATOM 947 CB VAL A 67 -8.811 17.584 7.946 1.00 63.13 C ATOM 948 CG1 VAL A 67 -10.195 17.704 7.327 1.00 12.53 C ATOM 949 CG2 VAL A 67 -8.906 17.164 9.405 1.00 35.22 C ATOM 0 H VAL A 67 -8.522 14.995 8.390 1.00 43.13 H new ATOM 0 HA VAL A 67 -8.087 16.766 6.086 1.00 24.03 H new ATOM 0 HB VAL A 67 -8.334 18.563 7.904 1.00 63.13 H new ATOM 0 HG11 VAL A 67 -10.791 18.413 7.902 1.00 12.53 H new ATOM 0 HG12 VAL A 67 -10.105 18.056 6.299 1.00 12.53 H new ATOM 0 HG13 VAL A 67 -10.683 16.729 7.335 1.00 12.53 H new ATOM 0 HG21 VAL A 67 -9.520 17.880 9.951 1.00 35.22 H new ATOM 0 HG22 VAL A 67 -9.358 16.174 9.470 1.00 35.22 H new ATOM 0 HG23 VAL A 67 -7.908 17.136 9.841 1.00 35.22 H new ATOM 959 N GLY A 68 -5.650 15.812 7.203 1.00 12.55 N ATOM 960 CA GLY A 68 -4.233 15.913 7.499 1.00 52.41 C ATOM 961 C GLY A 68 -3.488 16.767 6.492 1.00 63.23 C ATOM 962 O GLY A 68 -2.270 16.920 6.579 1.00 21.03 O ATOM 0 H GLY A 68 -5.933 14.941 6.754 1.00 12.55 H new ATOM 0 HA2 GLY A 68 -4.103 16.335 8.495 1.00 52.41 H new ATOM 0 HA3 GLY A 68 -3.797 14.914 7.517 1.00 52.41 H new ATOM 966 N TRP A 69 -4.222 17.322 5.533 1.00 74.24 N ATOM 967 CA TRP A 69 -3.623 18.164 4.505 1.00 13.21 C ATOM 968 C TRP A 69 -4.170 19.586 4.577 1.00 14.23 C ATOM 969 O TRP A 69 -3.456 20.549 4.302 1.00 3.23 O ATOM 970 CB TRP A 69 -3.884 17.574 3.118 1.00 1.00 C ATOM 971 CG TRP A 69 -5.154 16.782 3.040 1.00 3.22 C ATOM 972 CD1 TRP A 69 -5.319 15.463 3.353 1.00 21.20 C ATOM 973 CD2 TRP A 69 -6.437 17.260 2.618 1.00 71.14 C ATOM 974 NE1 TRP A 69 -6.627 15.092 3.152 1.00 41.11 N ATOM 975 CE2 TRP A 69 -7.333 16.177 2.702 1.00 1.12 C ATOM 976 CE3 TRP A 69 -6.916 18.498 2.180 1.00 13.12 C ATOM 977 CZ2 TRP A 69 -8.678 16.296 2.363 1.00 21.21 C ATOM 978 CZ3 TRP A 69 -8.251 18.614 1.844 1.00 42.11 C ATOM 979 CH2 TRP A 69 -9.119 17.519 1.937 1.00 4.01 C ATOM 0 H TRP A 69 -5.231 17.204 5.447 1.00 74.24 H new ATOM 0 HA TRP A 69 -2.548 18.200 4.681 1.00 13.21 H new ATOM 0 HB2 TRP A 69 -3.923 18.383 2.388 1.00 1.00 H new ATOM 0 HB3 TRP A 69 -3.047 16.934 2.840 1.00 1.00 H new ATOM 0 HD1 TRP A 69 -4.537 14.808 3.707 1.00 21.20 H new ATOM 0 HE1 TRP A 69 -7.010 14.160 3.312 1.00 41.11 H new ATOM 0 HE3 TRP A 69 -6.254 19.348 2.106 1.00 13.12 H new ATOM 0 HZ2 TRP A 69 -9.349 15.453 2.434 1.00 21.21 H new ATOM 0 HZ3 TRP A 69 -8.632 19.566 1.504 1.00 42.11 H new ATOM 0 HH2 TRP A 69 -10.157 17.642 1.667 1.00 4.01 H new ATOM 990 N ASN A 70 -5.440 19.708 4.950 1.00 13.30 N ATOM 991 CA ASN A 70 -6.082 21.012 5.058 1.00 41.25 C ATOM 992 C ASN A 70 -6.163 21.460 6.514 1.00 31.24 C ATOM 993 O ASN A 70 -5.696 22.540 6.870 1.00 55.42 O ATOM 994 CB ASN A 70 -7.484 20.966 4.448 1.00 24.52 C ATOM 995 CG ASN A 70 -7.614 21.855 3.226 1.00 75.45 C ATOM 996 OD1 ASN A 70 -8.597 22.579 3.073 1.00 50.43 O ATOM 997 ND2 ASN A 70 -6.617 21.804 2.349 1.00 22.22 N ATOM 0 H ASN A 70 -6.044 18.920 5.182 1.00 13.30 H new ATOM 0 HA ASN A 70 -5.477 21.733 4.508 1.00 41.25 H new ATOM 0 HB2 ASN A 70 -7.724 19.939 4.173 1.00 24.52 H new ATOM 0 HB3 ASN A 70 -8.213 21.274 5.197 1.00 24.52 H new ATOM 0 HD21 ASN A 70 -6.648 22.380 1.508 1.00 22.22 H new ATOM 0 HD22 ASN A 70 -5.821 21.189 2.517 1.00 22.22 H new ATOM 1004 N GLY A 71 -6.761 20.619 7.354 1.00 14.42 N ATOM 1005 CA GLY A 71 -6.892 20.946 8.761 1.00 33.32 C ATOM 1006 C GLY A 71 -7.836 22.107 9.002 1.00 71.11 C ATOM 1007 O GLY A 71 -7.515 23.034 9.745 1.00 70.14 O ATOM 0 H GLY A 71 -7.156 19.718 7.084 1.00 14.42 H new ATOM 0 HA2 GLY A 71 -7.252 20.071 9.302 1.00 33.32 H new ATOM 0 HA3 GLY A 71 -5.910 21.190 9.167 1.00 33.32 H new ATOM 1011 N THR A 72 -9.005 22.059 8.371 1.00 14.14 N ATOM 1012 CA THR A 72 -9.997 23.116 8.517 1.00 12.43 C ATOM 1013 C THR A 72 -11.356 22.544 8.907 1.00 54.42 C ATOM 1014 O THR A 72 -11.931 21.733 8.180 1.00 72.12 O ATOM 1015 CB THR A 72 -10.148 23.928 7.218 1.00 5.33 C ATOM 1016 OG1 THR A 72 -11.335 24.728 7.275 1.00 42.10 O ATOM 1017 CG2 THR A 72 -10.208 23.008 6.007 1.00 65.32 C ATOM 0 H THR A 72 -9.288 21.298 7.753 1.00 14.14 H new ATOM 0 HA THR A 72 -9.642 23.775 9.309 1.00 12.43 H new ATOM 0 HB THR A 72 -9.278 24.576 7.119 1.00 5.33 H new ATOM 0 HG1 THR A 72 -11.423 25.243 6.446 1.00 42.10 H new ATOM 0 HG21 THR A 72 -10.315 23.605 5.101 1.00 65.32 H new ATOM 0 HG22 THR A 72 -9.291 22.422 5.949 1.00 65.32 H new ATOM 0 HG23 THR A 72 -11.062 22.337 6.102 1.00 65.32 H new ATOM 1025 N LEU A 73 -11.864 22.972 10.056 1.00 70.34 N ATOM 1026 CA LEU A 73 -13.157 22.504 10.543 1.00 42.03 C ATOM 1027 C LEU A 73 -13.882 23.604 11.311 1.00 51.42 C ATOM 1028 O LEU A 73 -13.266 24.572 11.757 1.00 3.03 O ATOM 1029 CB LEU A 73 -12.974 21.277 11.438 1.00 51.25 C ATOM 1030 CG LEU A 73 -14.251 20.539 11.837 1.00 4.54 C ATOM 1031 CD1 LEU A 73 -15.024 20.105 10.599 1.00 60.12 C ATOM 1032 CD2 LEU A 73 -13.923 19.337 12.710 1.00 65.14 C ATOM 0 H LEU A 73 -11.401 23.643 10.669 1.00 70.34 H new ATOM 0 HA LEU A 73 -13.764 22.230 9.680 1.00 42.03 H new ATOM 0 HB2 LEU A 73 -12.317 20.574 10.926 1.00 51.25 H new ATOM 0 HB3 LEU A 73 -12.460 21.589 12.347 1.00 51.25 H new ATOM 0 HG LEU A 73 -14.877 21.221 12.413 1.00 4.54 H new ATOM 0 HD11 LEU A 73 -15.931 19.581 10.901 1.00 60.12 H new ATOM 0 HD12 LEU A 73 -15.291 20.983 10.011 1.00 60.12 H new ATOM 0 HD13 LEU A 73 -14.404 19.440 9.997 1.00 60.12 H new ATOM 0 HD21 LEU A 73 -14.845 18.824 12.984 1.00 65.14 H new ATOM 0 HD22 LEU A 73 -13.277 18.653 12.160 1.00 65.14 H new ATOM 0 HD23 LEU A 73 -13.412 19.672 13.613 1.00 65.14 H new ATOM 1044 N ALA A 74 -15.192 23.448 11.463 1.00 62.42 N ATOM 1045 CA ALA A 74 -16.000 24.427 12.181 1.00 1.25 C ATOM 1046 C ALA A 74 -16.299 23.957 13.601 1.00 13.44 C ATOM 1047 O ALA A 74 -16.155 22.780 13.934 1.00 71.21 O ATOM 1048 CB ALA A 74 -17.296 24.695 11.429 1.00 51.24 C ATOM 0 H ALA A 74 -15.717 22.653 11.099 1.00 62.42 H new ATOM 0 HA ALA A 74 -15.431 25.354 12.245 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -17.889 25.428 11.976 1.00 51.24 H new ATOM 0 HB2 ALA A 74 -17.067 25.082 10.436 1.00 51.24 H new ATOM 0 HB3 ALA A 74 -17.861 23.767 11.335 1.00 51.24 H new ATOM 1054 N PRO A 75 -16.723 24.896 14.459 1.00 53.21 N ATOM 1055 CA PRO A 75 -17.049 24.601 15.857 1.00 63.21 C ATOM 1056 C PRO A 75 -18.318 23.765 15.992 1.00 44.45 C ATOM 1057 O PRO A 75 -18.653 23.299 17.080 1.00 74.34 O ATOM 1058 CB PRO A 75 -17.254 25.987 16.474 1.00 53.45 C ATOM 1059 CG PRO A 75 -17.648 26.856 15.330 1.00 55.51 C ATOM 1060 CD PRO A 75 -16.916 26.318 14.130 1.00 40.34 C ATOM 0 HA PRO A 75 -16.269 24.015 16.342 1.00 63.21 H new ATOM 0 HB2 PRO A 75 -18.028 25.968 17.242 1.00 53.45 H new ATOM 0 HB3 PRO A 75 -16.342 26.348 16.949 1.00 53.45 H new ATOM 0 HG2 PRO A 75 -18.726 26.830 15.173 1.00 55.51 H new ATOM 0 HG3 PRO A 75 -17.378 27.895 15.518 1.00 55.51 H new ATOM 0 HD2 PRO A 75 -17.496 26.444 13.216 1.00 40.34 H new ATOM 0 HD3 PRO A 75 -15.965 26.828 13.977 1.00 40.34 H new ATOM 1068 N GLY A 76 -19.021 23.581 14.879 1.00 15.01 N ATOM 1069 CA GLY A 76 -20.244 22.800 14.895 1.00 43.12 C ATOM 1070 C GLY A 76 -20.475 22.057 13.595 1.00 5.23 C ATOM 1071 O GLY A 76 -20.684 22.672 12.549 1.00 43.33 O ATOM 0 H GLY A 76 -18.766 23.959 13.967 1.00 15.01 H new ATOM 0 HA2 GLY A 76 -20.204 22.085 15.716 1.00 43.12 H new ATOM 0 HA3 GLY A 76 -21.090 23.460 15.088 1.00 43.12 H new ATOM 1075 N ALA A 77 -20.437 20.731 13.657 1.00 73.41 N ATOM 1076 CA ALA A 77 -20.644 19.902 12.476 1.00 4.21 C ATOM 1077 C ALA A 77 -20.499 18.422 12.811 1.00 3.22 C ATOM 1078 O ALA A 77 -20.104 18.062 13.919 1.00 52.05 O ATOM 1079 CB ALA A 77 -19.668 20.296 11.378 1.00 54.30 C ATOM 0 H ALA A 77 -20.264 20.206 14.514 1.00 73.41 H new ATOM 0 HA ALA A 77 -21.661 20.068 12.120 1.00 4.21 H new ATOM 0 HB1 ALA A 77 -19.834 19.669 10.502 1.00 54.30 H new ATOM 0 HB2 ALA A 77 -19.823 21.341 11.111 1.00 54.30 H new ATOM 0 HB3 ALA A 77 -18.647 20.160 11.733 1.00 54.30 H new ATOM 1085 N SER A 78 -20.822 17.568 11.845 1.00 31.20 N ATOM 1086 CA SER A 78 -20.731 16.125 12.040 1.00 3.12 C ATOM 1087 C SER A 78 -19.998 15.465 10.875 1.00 43.02 C ATOM 1088 O SER A 78 -20.301 15.721 9.710 1.00 22.40 O ATOM 1089 CB SER A 78 -22.129 15.520 12.185 1.00 62.12 C ATOM 1090 OG SER A 78 -22.228 14.291 11.488 1.00 15.32 O ATOM 0 H SER A 78 -21.149 17.849 10.921 1.00 31.20 H new ATOM 0 HA SER A 78 -20.166 15.941 12.954 1.00 3.12 H new ATOM 0 HB2 SER A 78 -22.353 15.362 13.240 1.00 62.12 H new ATOM 0 HB3 SER A 78 -22.873 16.219 11.803 1.00 62.12 H new ATOM 0 HG SER A 78 -23.130 13.924 11.598 1.00 15.32 H new ATOM 1096 N VAL A 79 -19.031 14.613 11.200 1.00 50.34 N ATOM 1097 CA VAL A 79 -18.253 13.916 10.183 1.00 21.31 C ATOM 1098 C VAL A 79 -18.044 12.453 10.559 1.00 72.31 C ATOM 1099 O VAL A 79 -17.310 12.142 11.497 1.00 71.21 O ATOM 1100 CB VAL A 79 -16.881 14.581 9.970 1.00 33.32 C ATOM 1101 CG1 VAL A 79 -16.070 13.815 8.935 1.00 4.01 C ATOM 1102 CG2 VAL A 79 -17.052 16.035 9.556 1.00 30.44 C ATOM 0 H VAL A 79 -18.768 14.389 12.160 1.00 50.34 H new ATOM 0 HA VAL A 79 -18.822 13.973 9.255 1.00 21.31 H new ATOM 0 HB VAL A 79 -16.335 14.557 10.913 1.00 33.32 H new ATOM 0 HG11 VAL A 79 -15.104 14.300 8.798 1.00 4.01 H new ATOM 0 HG12 VAL A 79 -15.917 12.792 9.277 1.00 4.01 H new ATOM 0 HG13 VAL A 79 -16.608 13.804 7.987 1.00 4.01 H new ATOM 0 HG21 VAL A 79 -16.072 16.489 9.410 1.00 30.44 H new ATOM 0 HG22 VAL A 79 -17.617 16.084 8.625 1.00 30.44 H new ATOM 0 HG23 VAL A 79 -17.589 16.575 10.336 1.00 30.44 H new ATOM 1112 N SER A 80 -18.694 11.559 9.822 1.00 2.24 N ATOM 1113 CA SER A 80 -18.582 10.128 10.080 1.00 4.44 C ATOM 1114 C SER A 80 -17.694 9.456 9.038 1.00 75.31 C ATOM 1115 O SER A 80 -17.843 9.683 7.837 1.00 65.52 O ATOM 1116 CB SER A 80 -19.968 9.478 10.080 1.00 60.03 C ATOM 1117 OG SER A 80 -20.983 10.441 10.305 1.00 50.41 O ATOM 0 H SER A 80 -19.304 11.800 9.041 1.00 2.24 H new ATOM 0 HA SER A 80 -18.126 9.996 11.061 1.00 4.44 H new ATOM 0 HB2 SER A 80 -20.140 8.980 9.126 1.00 60.03 H new ATOM 0 HB3 SER A 80 -20.013 8.710 10.852 1.00 60.03 H new ATOM 0 HG SER A 80 -21.859 10.001 10.299 1.00 50.41 H new ATOM 1123 N PHE A 81 -16.766 8.628 9.507 1.00 14.51 N ATOM 1124 CA PHE A 81 -15.850 7.923 8.616 1.00 31.40 C ATOM 1125 C PHE A 81 -15.852 6.426 8.910 1.00 31.32 C ATOM 1126 O PHE A 81 -15.763 6.008 10.064 1.00 62.34 O ATOM 1127 CB PHE A 81 -14.434 8.481 8.762 1.00 14.21 C ATOM 1128 CG PHE A 81 -13.780 8.128 10.067 1.00 61.30 C ATOM 1129 CD1 PHE A 81 -13.915 8.956 11.171 1.00 32.25 C ATOM 1130 CD2 PHE A 81 -13.031 6.969 10.191 1.00 25.43 C ATOM 1131 CE1 PHE A 81 -13.316 8.633 12.374 1.00 12.43 C ATOM 1132 CE2 PHE A 81 -12.431 6.640 11.392 1.00 63.04 C ATOM 1133 CZ PHE A 81 -12.572 7.475 12.484 1.00 15.41 C ATOM 0 H PHE A 81 -16.628 8.429 10.498 1.00 14.51 H new ATOM 0 HA PHE A 81 -16.189 8.075 7.591 1.00 31.40 H new ATOM 0 HB2 PHE A 81 -13.819 8.106 7.944 1.00 14.21 H new ATOM 0 HB3 PHE A 81 -14.468 9.566 8.664 1.00 14.21 H new ATOM 0 HD1 PHE A 81 -14.495 9.864 11.090 1.00 32.25 H new ATOM 0 HD2 PHE A 81 -12.915 6.315 9.339 1.00 25.43 H new ATOM 0 HE1 PHE A 81 -13.430 9.286 13.227 1.00 12.43 H new ATOM 0 HE2 PHE A 81 -11.853 5.732 11.477 1.00 63.04 H new ATOM 0 HZ PHE A 81 -12.101 7.222 13.422 1.00 15.41 H new ATOM 1143 N GLY A 82 -15.953 5.621 7.856 1.00 44.14 N ATOM 1144 CA GLY A 82 -15.965 4.180 8.021 1.00 24.51 C ATOM 1145 C GLY A 82 -14.692 3.528 7.521 1.00 73.11 C ATOM 1146 O GLY A 82 -13.816 4.199 6.974 1.00 1.23 O ATOM 0 H GLY A 82 -16.027 5.942 6.891 1.00 44.14 H new ATOM 0 HA2 GLY A 82 -16.103 3.939 9.075 1.00 24.51 H new ATOM 0 HA3 GLY A 82 -16.818 3.763 7.485 1.00 24.51 H new ATOM 1150 N PHE A 83 -14.585 2.217 7.711 1.00 45.00 N ATOM 1151 CA PHE A 83 -13.407 1.475 7.277 1.00 11.44 C ATOM 1152 C PHE A 83 -13.646 -0.029 7.374 1.00 43.22 C ATOM 1153 O PHE A 83 -14.747 -0.474 7.693 1.00 42.04 O ATOM 1154 CB PHE A 83 -12.193 1.866 8.121 1.00 71.31 C ATOM 1155 CG PHE A 83 -12.210 1.279 9.504 1.00 11.23 C ATOM 1156 CD1 PHE A 83 -12.922 1.891 10.522 1.00 32.11 C ATOM 1157 CD2 PHE A 83 -11.514 0.114 9.785 1.00 14.40 C ATOM 1158 CE1 PHE A 83 -12.941 1.353 11.795 1.00 50.11 C ATOM 1159 CE2 PHE A 83 -11.529 -0.428 11.056 1.00 35.14 C ATOM 1160 CZ PHE A 83 -12.242 0.192 12.063 1.00 13.43 C ATOM 0 H PHE A 83 -15.300 1.647 8.163 1.00 45.00 H new ATOM 0 HA PHE A 83 -13.212 1.727 6.235 1.00 11.44 H new ATOM 0 HB2 PHE A 83 -11.286 1.544 7.609 1.00 71.31 H new ATOM 0 HB3 PHE A 83 -12.148 2.952 8.197 1.00 71.31 H new ATOM 0 HD1 PHE A 83 -13.469 2.800 10.319 1.00 32.11 H new ATOM 0 HD2 PHE A 83 -10.954 -0.376 9.002 1.00 14.40 H new ATOM 0 HE1 PHE A 83 -13.502 1.840 12.579 1.00 50.11 H new ATOM 0 HE2 PHE A 83 -10.983 -1.337 11.262 1.00 35.14 H new ATOM 0 HZ PHE A 83 -12.253 -0.230 13.057 1.00 13.43 H new ATOM 1170 N ASN A 84 -12.604 -0.806 7.095 1.00 23.53 N ATOM 1171 CA ASN A 84 -12.700 -2.260 7.149 1.00 63.41 C ATOM 1172 C ASN A 84 -11.449 -2.865 7.780 1.00 5.34 C ATOM 1173 O ASN A 84 -10.331 -2.436 7.498 1.00 53.12 O ATOM 1174 CB ASN A 84 -12.905 -2.831 5.744 1.00 35.21 C ATOM 1175 CG ASN A 84 -14.361 -2.822 5.322 1.00 0.24 C ATOM 1176 OD1 ASN A 84 -15.256 -2.635 6.146 1.00 21.24 O ATOM 1177 ND2 ASN A 84 -14.604 -3.023 4.033 1.00 10.53 N ATOM 0 H ASN A 84 -11.685 -0.453 6.830 1.00 23.53 H new ATOM 0 HA ASN A 84 -13.559 -2.520 7.768 1.00 63.41 H new ATOM 0 HB2 ASN A 84 -12.319 -2.251 5.030 1.00 35.21 H new ATOM 0 HB3 ASN A 84 -12.527 -3.853 5.711 1.00 35.21 H new ATOM 0 HD21 ASN A 84 -15.564 -3.027 3.690 1.00 10.53 H new ATOM 0 HD22 ASN A 84 -13.830 -3.174 3.386 1.00 10.53 H new ATOM 1184 N GLY A 85 -11.647 -3.864 8.633 1.00 34.23 N ATOM 1185 CA GLY A 85 -10.526 -4.512 9.290 1.00 63.42 C ATOM 1186 C GLY A 85 -10.771 -5.987 9.535 1.00 5.14 C ATOM 1187 O GLY A 85 -11.908 -6.454 9.465 1.00 21.45 O ATOM 0 H GLY A 85 -12.563 -4.237 8.881 1.00 34.23 H new ATOM 0 HA2 GLY A 85 -9.632 -4.392 8.678 1.00 63.42 H new ATOM 0 HA3 GLY A 85 -10.330 -4.017 10.241 1.00 63.42 H new ATOM 1191 N SER A 86 -9.702 -6.724 9.821 1.00 65.34 N ATOM 1192 CA SER A 86 -9.807 -8.156 10.072 1.00 74.32 C ATOM 1193 C SER A 86 -9.649 -8.460 11.558 1.00 35.41 C ATOM 1194 O SER A 86 -8.562 -8.323 12.121 1.00 2.55 O ATOM 1195 CB SER A 86 -8.747 -8.914 9.269 1.00 21.42 C ATOM 1196 OG SER A 86 -8.607 -10.245 9.738 1.00 3.22 O ATOM 0 H SER A 86 -8.754 -6.353 9.885 1.00 65.34 H new ATOM 0 HA SER A 86 -10.797 -8.484 9.755 1.00 74.32 H new ATOM 0 HB2 SER A 86 -9.023 -8.924 8.215 1.00 21.42 H new ATOM 0 HB3 SER A 86 -7.791 -8.396 9.343 1.00 21.42 H new ATOM 0 HG SER A 86 -7.925 -10.709 9.208 1.00 3.22 H new ATOM 1202 N GLY A 87 -10.742 -8.876 12.191 1.00 71.23 N ATOM 1203 CA GLY A 87 -10.706 -9.193 13.607 1.00 52.21 C ATOM 1204 C GLY A 87 -12.090 -9.293 14.215 1.00 32.31 C ATOM 1205 O GLY A 87 -13.093 -9.415 13.511 1.00 43.05 O ATOM 0 H GLY A 87 -11.652 -8.999 11.748 1.00 71.23 H new ATOM 0 HA2 GLY A 87 -10.180 -10.137 13.751 1.00 52.21 H new ATOM 0 HA3 GLY A 87 -10.136 -8.427 14.133 1.00 52.21 H new ATOM 1209 N PRO A 88 -12.158 -9.244 15.553 1.00 62.14 N ATOM 1210 CA PRO A 88 -13.425 -9.330 16.286 1.00 2.41 C ATOM 1211 C PRO A 88 -14.288 -8.087 16.098 1.00 52.53 C ATOM 1212 O PRO A 88 -15.515 -8.170 16.064 1.00 43.33 O ATOM 1213 CB PRO A 88 -12.983 -9.459 17.745 1.00 65.41 C ATOM 1214 CG PRO A 88 -11.636 -8.824 17.791 1.00 41.02 C ATOM 1215 CD PRO A 88 -11.003 -9.100 16.456 1.00 42.30 C ATOM 0 HA PRO A 88 -14.042 -10.159 15.939 1.00 2.41 H new ATOM 0 HB2 PRO A 88 -13.680 -8.957 18.416 1.00 65.41 H new ATOM 0 HB3 PRO A 88 -12.939 -10.503 18.054 1.00 65.41 H new ATOM 0 HG2 PRO A 88 -11.716 -7.752 17.971 1.00 41.02 H new ATOM 0 HG3 PRO A 88 -11.036 -9.239 18.601 1.00 41.02 H new ATOM 0 HD2 PRO A 88 -10.349 -8.285 16.145 1.00 42.30 H new ATOM 0 HD3 PRO A 88 -10.396 -10.005 16.479 1.00 42.30 H new ATOM 1223 N GLY A 89 -13.638 -6.933 15.977 1.00 74.24 N ATOM 1224 CA GLY A 89 -14.362 -5.688 15.794 1.00 21.21 C ATOM 1225 C GLY A 89 -14.734 -5.035 17.111 1.00 33.11 C ATOM 1226 O GLY A 89 -15.712 -4.292 17.188 1.00 51.02 O ATOM 0 H GLY A 89 -12.623 -6.838 16.002 1.00 74.24 H new ATOM 0 HA2 GLY A 89 -13.752 -4.999 15.210 1.00 21.21 H new ATOM 0 HA3 GLY A 89 -15.267 -5.879 15.218 1.00 21.21 H new ATOM 1230 N SER A 90 -13.954 -5.315 18.150 1.00 40.41 N ATOM 1231 CA SER A 90 -14.210 -4.754 19.471 1.00 10.11 C ATOM 1232 C SER A 90 -13.108 -3.776 19.869 1.00 21.12 C ATOM 1233 O SER A 90 -12.233 -4.084 20.679 1.00 60.14 O ATOM 1234 CB SER A 90 -14.317 -5.871 20.511 1.00 45.05 C ATOM 1235 OG SER A 90 -14.907 -5.397 21.709 1.00 75.13 O ATOM 0 H SER A 90 -13.139 -5.927 18.102 1.00 40.41 H new ATOM 0 HA SER A 90 -15.155 -4.213 19.432 1.00 10.11 H new ATOM 0 HB2 SER A 90 -14.912 -6.691 20.109 1.00 45.05 H new ATOM 0 HB3 SER A 90 -13.325 -6.271 20.724 1.00 45.05 H new ATOM 0 HG SER A 90 -14.966 -6.130 22.357 1.00 75.13 H new ATOM 1241 N PRO A 91 -13.150 -2.569 19.286 1.00 14.25 N ATOM 1242 CA PRO A 91 -12.162 -1.522 19.564 1.00 22.10 C ATOM 1243 C PRO A 91 -12.300 -0.954 20.972 1.00 61.30 C ATOM 1244 O PRO A 91 -13.349 -1.084 21.604 1.00 13.23 O ATOM 1245 CB PRO A 91 -12.483 -0.448 18.521 1.00 52.43 C ATOM 1246 CG PRO A 91 -13.921 -0.655 18.192 1.00 54.21 C ATOM 1247 CD PRO A 91 -14.163 -2.134 18.310 1.00 62.42 C ATOM 0 HA PRO A 91 -11.141 -1.899 19.509 1.00 22.10 H new ATOM 0 HB2 PRO A 91 -12.308 0.552 18.917 1.00 52.43 H new ATOM 0 HB3 PRO A 91 -11.855 -0.556 17.636 1.00 52.43 H new ATOM 0 HG2 PRO A 91 -14.562 -0.099 18.876 1.00 54.21 H new ATOM 0 HG3 PRO A 91 -14.146 -0.302 17.186 1.00 54.21 H new ATOM 0 HD2 PRO A 91 -15.174 -2.349 18.657 1.00 62.42 H new ATOM 0 HD3 PRO A 91 -14.041 -2.639 17.352 1.00 62.42 H new ATOM 1255 N SER A 92 -11.236 -0.325 21.459 1.00 1.40 N ATOM 1256 CA SER A 92 -11.237 0.260 22.794 1.00 62.41 C ATOM 1257 C SER A 92 -10.349 1.499 22.846 1.00 52.01 C ATOM 1258 O SER A 92 -9.672 1.832 21.874 1.00 41.15 O ATOM 1259 CB SER A 92 -10.762 -0.766 23.824 1.00 72.51 C ATOM 1260 OG SER A 92 -10.996 -0.310 25.145 1.00 43.30 O ATOM 0 H SER A 92 -10.361 -0.207 20.948 1.00 1.40 H new ATOM 0 HA SER A 92 -12.258 0.557 23.032 1.00 62.41 H new ATOM 0 HB2 SER A 92 -11.280 -1.712 23.665 1.00 72.51 H new ATOM 0 HB3 SER A 92 -9.698 -0.959 23.686 1.00 72.51 H new ATOM 0 HG SER A 92 -10.685 -0.985 25.784 1.00 43.30 H new ATOM 1266 N ASN A 93 -10.356 2.177 23.990 1.00 14.32 N ATOM 1267 CA ASN A 93 -9.551 3.380 24.169 1.00 53.04 C ATOM 1268 C ASN A 93 -9.922 4.442 23.139 1.00 74.44 C ATOM 1269 O ASN A 93 -9.063 4.944 22.413 1.00 43.33 O ATOM 1270 CB ASN A 93 -8.062 3.044 24.058 1.00 50.21 C ATOM 1271 CG ASN A 93 -7.489 2.519 25.361 1.00 0.44 C ATOM 1272 OD1 ASN A 93 -8.173 1.832 26.120 1.00 71.24 O ATOM 1273 ND2 ASN A 93 -6.228 2.840 25.624 1.00 25.10 N ATOM 0 H ASN A 93 -10.909 1.914 24.805 1.00 14.32 H new ATOM 0 HA ASN A 93 -9.754 3.778 25.163 1.00 53.04 H new ATOM 0 HB2 ASN A 93 -7.918 2.300 23.275 1.00 50.21 H new ATOM 0 HB3 ASN A 93 -7.513 3.936 23.756 1.00 50.21 H new ATOM 0 HD21 ASN A 93 -5.788 2.515 26.485 1.00 25.10 H new ATOM 0 HD22 ASN A 93 -5.699 3.412 24.965 1.00 25.10 H new ATOM 1280 N CYS A 94 -11.206 4.779 23.082 1.00 50.23 N ATOM 1281 CA CYS A 94 -11.691 5.782 22.140 1.00 65.15 C ATOM 1282 C CYS A 94 -11.206 7.175 22.531 1.00 15.33 C ATOM 1283 O CYS A 94 -11.665 7.751 23.516 1.00 72.13 O ATOM 1284 CB CYS A 94 -13.219 5.760 22.083 1.00 4.51 C ATOM 1285 SG CYS A 94 -13.938 7.050 21.039 1.00 72.33 S ATOM 0 H CYS A 94 -11.929 4.373 23.676 1.00 50.23 H new ATOM 0 HA CYS A 94 -11.293 5.541 21.154 1.00 65.15 H new ATOM 0 HB2 CYS A 94 -13.544 4.787 21.715 1.00 4.51 H new ATOM 0 HB3 CYS A 94 -13.611 5.866 23.095 1.00 4.51 H new ATOM 0 HG CYS A 94 -15.233 6.938 21.041 1.00 72.33 H new ATOM 1291 N LYS A 95 -10.271 7.709 21.751 1.00 74.34 N ATOM 1292 CA LYS A 95 -9.720 9.033 22.014 1.00 44.11 C ATOM 1293 C LYS A 95 -9.625 9.848 20.728 1.00 23.32 C ATOM 1294 O LYS A 95 -9.337 9.309 19.659 1.00 71.01 O ATOM 1295 CB LYS A 95 -8.337 8.916 22.659 1.00 23.10 C ATOM 1296 CG LYS A 95 -8.383 8.725 24.165 1.00 44.33 C ATOM 1297 CD LYS A 95 -8.404 7.253 24.541 1.00 51.45 C ATOM 1298 CE LYS A 95 -8.317 7.062 26.047 1.00 12.21 C ATOM 1299 NZ LYS A 95 -7.223 6.125 26.425 1.00 24.54 N ATOM 0 H LYS A 95 -9.879 7.245 20.932 1.00 74.34 H new ATOM 0 HA LYS A 95 -10.392 9.547 22.702 1.00 44.11 H new ATOM 0 HB2 LYS A 95 -7.806 8.076 22.211 1.00 23.10 H new ATOM 0 HB3 LYS A 95 -7.762 9.814 22.432 1.00 23.10 H new ATOM 0 HG2 LYS A 95 -7.517 9.205 24.620 1.00 44.33 H new ATOM 0 HG3 LYS A 95 -9.268 9.217 24.568 1.00 44.33 H new ATOM 0 HD2 LYS A 95 -9.319 6.794 24.167 1.00 51.45 H new ATOM 0 HD3 LYS A 95 -7.571 6.741 24.059 1.00 51.45 H new ATOM 0 HE2 LYS A 95 -8.151 8.027 26.526 1.00 12.21 H new ATOM 0 HE3 LYS A 95 -9.267 6.680 26.420 1.00 12.21 H new ATOM 0 HZ1 LYS A 95 -7.197 6.021 27.459 1.00 24.54 H new ATOM 0 HZ2 LYS A 95 -7.395 5.197 25.988 1.00 24.54 H new ATOM 0 HZ3 LYS A 95 -6.313 6.501 26.091 1.00 24.54 H new ATOM 1313 N LEU A 96 -9.870 11.150 20.838 1.00 12.44 N ATOM 1314 CA LEU A 96 -9.810 12.040 19.683 1.00 75.53 C ATOM 1315 C LEU A 96 -9.567 13.481 20.119 1.00 70.02 C ATOM 1316 O LEU A 96 -9.914 13.870 21.233 1.00 62.33 O ATOM 1317 CB LEU A 96 -11.107 11.950 18.878 1.00 65.11 C ATOM 1318 CG LEU A 96 -12.320 12.664 19.476 1.00 74.23 C ATOM 1319 CD1 LEU A 96 -12.594 13.963 18.735 1.00 54.34 C ATOM 1320 CD2 LEU A 96 -13.543 11.759 19.441 1.00 13.31 C ATOM 0 H LEU A 96 -10.112 11.612 21.714 1.00 12.44 H new ATOM 0 HA LEU A 96 -8.977 11.725 19.054 1.00 75.53 H new ATOM 0 HB2 LEU A 96 -10.923 12.359 17.884 1.00 65.11 H new ATOM 0 HB3 LEU A 96 -11.358 10.897 18.748 1.00 65.11 H new ATOM 0 HG LEU A 96 -12.100 12.903 20.516 1.00 74.23 H new ATOM 0 HD11 LEU A 96 -13.461 14.457 19.175 1.00 54.34 H new ATOM 0 HD12 LEU A 96 -11.725 14.617 18.813 1.00 54.34 H new ATOM 0 HD13 LEU A 96 -12.793 13.748 17.685 1.00 54.34 H new ATOM 0 HD21 LEU A 96 -14.396 12.284 19.871 1.00 13.31 H new ATOM 0 HD22 LEU A 96 -13.766 11.488 18.409 1.00 13.31 H new ATOM 0 HD23 LEU A 96 -13.344 10.856 20.018 1.00 13.31 H new ATOM 1332 N ASN A 97 -8.970 14.270 19.231 1.00 34.14 N ATOM 1333 CA ASN A 97 -8.682 15.668 19.523 1.00 52.24 C ATOM 1334 C ASN A 97 -7.864 15.800 20.804 1.00 32.12 C ATOM 1335 O ASN A 97 -8.250 16.513 21.730 1.00 3.15 O ATOM 1336 CB ASN A 97 -9.983 16.463 19.652 1.00 22.44 C ATOM 1337 CG ASN A 97 -9.824 17.907 19.220 1.00 63.24 C ATOM 1338 OD1 ASN A 97 -8.709 18.417 19.119 1.00 2.41 O ATOM 1339 ND2 ASN A 97 -10.944 18.574 18.964 1.00 53.05 N ATOM 0 H ASN A 97 -8.677 13.964 18.303 1.00 34.14 H new ATOM 0 HA ASN A 97 -8.097 16.072 18.696 1.00 52.24 H new ATOM 0 HB2 ASN A 97 -10.756 15.989 19.048 1.00 22.44 H new ATOM 0 HB3 ASN A 97 -10.323 16.432 20.687 1.00 22.44 H new ATOM 0 HD21 ASN A 97 -10.901 19.550 18.670 1.00 53.05 H new ATOM 0 HD22 ASN A 97 -11.847 18.110 19.061 1.00 53.05 H new ATOM 1346 N GLY A 98 -6.730 15.107 20.849 1.00 53.04 N ATOM 1347 CA GLY A 98 -5.875 15.160 22.020 1.00 73.34 C ATOM 1348 C GLY A 98 -6.387 14.292 23.152 1.00 73.03 C ATOM 1349 O GLY A 98 -6.003 14.475 24.307 1.00 20.44 O ATOM 0 H GLY A 98 -6.389 14.510 20.096 1.00 53.04 H new ATOM 0 HA2 GLY A 98 -4.870 14.839 21.747 1.00 73.34 H new ATOM 0 HA3 GLY A 98 -5.798 16.192 22.364 1.00 73.34 H new ATOM 1353 N GLY A 99 -7.258 13.344 22.822 1.00 2.42 N ATOM 1354 CA GLY A 99 -7.812 12.459 23.830 1.00 60.24 C ATOM 1355 C GLY A 99 -8.968 13.088 24.582 1.00 4.42 C ATOM 1356 O GLY A 99 -8.840 13.431 25.758 1.00 10.33 O ATOM 0 H GLY A 99 -7.590 13.173 21.873 1.00 2.42 H new ATOM 0 HA2 GLY A 99 -8.150 11.538 23.354 1.00 60.24 H new ATOM 0 HA3 GLY A 99 -7.029 12.184 24.537 1.00 60.24 H new ATOM 1360 N SER A 100 -10.100 13.243 23.901 1.00 72.34 N ATOM 1361 CA SER A 100 -11.282 13.840 24.511 1.00 1.11 C ATOM 1362 C SER A 100 -12.554 13.339 23.834 1.00 32.23 C ATOM 1363 O SER A 100 -12.886 13.759 22.725 1.00 23.34 O ATOM 1364 CB SER A 100 -11.211 15.366 24.423 1.00 70.41 C ATOM 1365 OG SER A 100 -11.809 15.970 25.558 1.00 53.50 O ATOM 0 H SER A 100 -10.223 12.964 22.928 1.00 72.34 H new ATOM 0 HA SER A 100 -11.309 13.544 25.560 1.00 1.11 H new ATOM 0 HB2 SER A 100 -10.170 15.681 24.345 1.00 70.41 H new ATOM 0 HB3 SER A 100 -11.715 15.705 23.518 1.00 70.41 H new ATOM 0 HG SER A 100 -11.750 16.945 25.479 1.00 53.50 H new ATOM 1371 N CYS A 101 -13.261 12.439 24.510 1.00 53.23 N ATOM 1372 CA CYS A 101 -14.496 11.879 23.974 1.00 20.30 C ATOM 1373 C CYS A 101 -15.606 11.912 25.021 1.00 35.44 C ATOM 1374 O CYS A 101 -15.347 11.792 26.218 1.00 74.02 O ATOM 1375 CB CYS A 101 -14.266 10.444 23.501 1.00 22.44 C ATOM 1376 SG CYS A 101 -14.026 9.253 24.842 1.00 23.00 S ATOM 0 H CYS A 101 -13.000 12.082 25.429 1.00 53.23 H new ATOM 0 HA CYS A 101 -14.805 12.488 23.124 1.00 20.30 H new ATOM 0 HB2 CYS A 101 -15.119 10.130 22.899 1.00 22.44 H new ATOM 0 HB3 CYS A 101 -13.392 10.423 22.850 1.00 22.44 H new ATOM 0 HG CYS A 101 -13.034 8.466 24.551 1.00 23.00 H new ATOM 1382 N ASP A 102 -16.841 12.074 24.560 1.00 63.01 N ATOM 1383 CA ASP A 102 -17.991 12.123 25.456 1.00 43.43 C ATOM 1384 C ASP A 102 -19.062 11.127 25.021 1.00 54.10 C ATOM 1385 O ASP A 102 -19.888 11.425 24.161 1.00 1.12 O ATOM 1386 CB ASP A 102 -18.576 13.535 25.493 1.00 50.33 C ATOM 1387 CG ASP A 102 -18.352 14.220 26.827 1.00 71.34 C ATOM 1388 OD1 ASP A 102 -18.637 13.596 27.871 1.00 30.45 O ATOM 1389 OD2 ASP A 102 -17.891 15.381 26.828 1.00 70.30 O ATOM 0 H ASP A 102 -17.072 12.174 23.571 1.00 63.01 H new ATOM 0 HA ASP A 102 -17.653 11.852 26.456 1.00 43.43 H new ATOM 0 HB2 ASP A 102 -18.125 14.133 24.701 1.00 50.33 H new ATOM 0 HB3 ASP A 102 -19.645 13.488 25.287 1.00 50.33 H new ATOM 1394 N GLY A 103 -19.038 9.941 25.622 1.00 40.03 N ATOM 1395 CA GLY A 103 -20.010 8.918 25.283 1.00 64.03 C ATOM 1396 C GLY A 103 -19.378 7.718 24.607 1.00 10.43 C ATOM 1397 O GLY A 103 -19.887 7.220 23.602 1.00 64.23 O ATOM 0 H GLY A 103 -18.363 9.671 26.337 1.00 40.03 H new ATOM 0 HA2 GLY A 103 -20.521 8.593 26.189 1.00 64.03 H new ATOM 0 HA3 GLY A 103 -20.767 9.345 24.625 1.00 64.03 H new ATOM 1401 N THR A 104 -18.261 7.252 25.157 1.00 13.23 N ATOM 1402 CA THR A 104 -17.556 6.104 24.599 1.00 55.52 C ATOM 1403 C THR A 104 -16.434 5.646 25.524 1.00 1.42 C ATOM 1404 O THR A 104 -16.112 6.317 26.504 1.00 52.11 O ATOM 1405 CB THR A 104 -16.964 6.428 23.214 1.00 31.11 C ATOM 1406 OG1 THR A 104 -17.143 7.817 22.917 1.00 54.12 O ATOM 1407 CG2 THR A 104 -17.624 5.584 22.134 1.00 40.22 C ATOM 0 H THR A 104 -17.825 7.652 25.988 1.00 13.23 H new ATOM 0 HA THR A 104 -18.288 5.303 24.495 1.00 55.52 H new ATOM 0 HB THR A 104 -15.899 6.196 23.235 1.00 31.11 H new ATOM 0 HG1 THR A 104 -16.951 7.976 21.969 1.00 54.12 H new ATOM 0 HG21 THR A 104 -17.190 5.830 21.165 1.00 40.22 H new ATOM 0 HG22 THR A 104 -17.461 4.528 22.347 1.00 40.22 H new ATOM 0 HG23 THR A 104 -18.694 5.789 22.115 1.00 40.22 H new ATOM 1415 N SER A 105 -15.840 4.500 25.204 1.00 65.12 N ATOM 1416 CA SER A 105 -14.756 3.951 26.009 1.00 62.12 C ATOM 1417 C SER A 105 -14.035 2.834 25.259 1.00 70.11 C ATOM 1418 O SER A 105 -12.806 2.778 25.242 1.00 25.24 O ATOM 1419 CB SER A 105 -15.296 3.421 27.338 1.00 71.31 C ATOM 1420 OG SER A 105 -15.083 4.354 28.384 1.00 0.03 O ATOM 0 H SER A 105 -16.092 3.935 24.393 1.00 65.12 H new ATOM 0 HA SER A 105 -14.044 4.752 26.208 1.00 62.12 H new ATOM 0 HB2 SER A 105 -16.362 3.213 27.244 1.00 71.31 H new ATOM 0 HB3 SER A 105 -14.807 2.478 27.583 1.00 71.31 H new ATOM 0 HG SER A 105 -15.378 5.243 28.095 1.00 0.03 H new TER 1426 SER A 105