USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.5!) USER MOD Set 1.3: A 113 MET CE :methyl -169:sc= 0 (180deg=-0.16) USER MOD Set 2.1: A 81 THR OG1 : rot 152:sc= 0.466 USER MOD Set 2.2: A 93 THR OG1 : rot -110:sc= 0 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= -0.0729 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 2 SER OG : rot 160:sc= 0.205 USER MOD Set 5.2: A 43 GLN : amide:sc= 0.123 X(o=0.33,f=0.21) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.19) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 19 MET CE :methyl -153:sc= -0.0745 (180deg=-1.46!) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.641) USER MOD Single : A 30 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.536) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.14) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.542) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.0276 K(o=0.028,f=-1.3) USER MOD Single : A 69 CYS SG : rot 10:sc= 0.52 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 138:sc= 0.0118 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -117:sc= 1.41 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.087) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.566 -11.317 15.199 1.00 0.00 N ATOM 2 CA SER A 2 8.736 -10.370 14.439 1.00 0.00 C ATOM 3 C SER A 2 7.543 -9.857 15.279 1.00 0.00 C ATOM 4 O SER A 2 6.915 -10.603 16.036 1.00 0.00 O ATOM 5 CB SER A 2 8.286 -10.977 13.096 1.00 0.00 C ATOM 6 OG SER A 2 7.459 -12.126 13.264 1.00 0.00 O ATOM 0 HA SER A 2 9.351 -9.500 14.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.744 -10.224 12.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.165 -11.249 12.511 1.00 0.00 H new ATOM 0 HG SER A 2 6.942 -12.280 12.446 1.00 0.00 H new ATOM 12 N PHE A 3 7.245 -8.553 15.129 1.00 0.00 N ATOM 13 CA PHE A 3 6.183 -7.834 15.899 1.00 0.00 C ATOM 14 C PHE A 3 6.287 -7.958 17.456 1.00 0.00 C ATOM 15 O PHE A 3 5.302 -8.258 18.140 1.00 0.00 O ATOM 16 CB PHE A 3 4.759 -8.156 15.354 1.00 0.00 C ATOM 17 CG PHE A 3 4.480 -7.820 13.880 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.344 -6.491 13.461 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.355 -8.853 12.947 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.098 -6.203 12.119 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.087 -8.559 11.615 1.00 0.00 C ATOM 22 CZ PHE A 3 3.974 -7.237 11.199 1.00 0.00 C ATOM 0 H PHE A 3 7.734 -7.952 14.465 1.00 0.00 H new ATOM 0 HA PHE A 3 6.373 -6.776 15.719 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.574 -9.220 15.499 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.034 -7.620 15.966 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.430 -5.688 14.178 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.467 -9.880 13.261 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.004 -5.177 11.795 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.966 -9.360 10.901 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.789 -7.013 10.159 1.00 0.00 H new ATOM 32 N SER A 4 7.496 -7.733 18.002 1.00 0.00 N ATOM 33 CA SER A 4 7.763 -7.881 19.453 1.00 0.00 C ATOM 34 C SER A 4 8.745 -6.759 19.868 1.00 0.00 C ATOM 35 O SER A 4 9.953 -6.841 19.616 1.00 0.00 O ATOM 36 CB SER A 4 8.284 -9.305 19.758 1.00 0.00 C ATOM 37 OG SER A 4 8.430 -9.498 21.159 1.00 0.00 O ATOM 0 H SER A 4 8.311 -7.446 17.460 1.00 0.00 H new ATOM 0 HA SER A 4 6.853 -7.771 20.043 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.593 -10.045 19.354 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.242 -9.461 19.263 1.00 0.00 H new ATOM 0 HG SER A 4 8.759 -10.405 21.332 1.00 0.00 H new ATOM 43 N GLY A 5 8.198 -5.710 20.500 1.00 0.00 N ATOM 44 CA GLY A 5 8.995 -4.560 20.962 1.00 0.00 C ATOM 45 C GLY A 5 8.106 -3.426 21.513 1.00 0.00 C ATOM 46 O GLY A 5 7.039 -3.647 22.098 1.00 0.00 O ATOM 0 H GLY A 5 7.202 -5.633 20.704 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.688 -4.887 21.737 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.597 -4.180 20.136 1.00 0.00 H new ATOM 50 N LYS A 6 8.607 -2.196 21.335 1.00 0.00 N ATOM 51 CA LYS A 6 7.929 -0.958 21.793 1.00 0.00 C ATOM 52 C LYS A 6 8.374 0.184 20.837 1.00 0.00 C ATOM 53 O LYS A 6 9.566 0.481 20.717 1.00 0.00 O ATOM 54 CB LYS A 6 8.112 -0.652 23.310 1.00 0.00 C ATOM 55 CG LYS A 6 9.530 -0.511 23.924 1.00 0.00 C ATOM 56 CD LYS A 6 10.358 -1.795 24.158 1.00 0.00 C ATOM 57 CE LYS A 6 9.736 -2.796 25.153 1.00 0.00 C ATOM 58 NZ LYS A 6 10.631 -3.942 25.391 1.00 0.00 N ATOM 0 H LYS A 6 9.497 -2.022 20.868 1.00 0.00 H new ATOM 0 HA LYS A 6 6.848 -1.080 21.730 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.579 0.276 23.517 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.601 -1.442 23.861 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.110 0.145 23.275 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.428 -0.002 24.882 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.501 -2.297 23.201 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.346 -1.512 24.520 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.528 -2.292 26.097 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.782 -3.152 24.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.185 -4.597 26.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.809 -4.436 24.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.532 -3.603 25.784 1.00 0.00 H new ATOM 72 N TYR A 7 7.403 0.760 20.106 1.00 0.00 N ATOM 73 CA TYR A 7 7.672 1.500 18.843 1.00 0.00 C ATOM 74 C TYR A 7 7.015 2.903 18.961 1.00 0.00 C ATOM 75 O TYR A 7 5.796 3.037 18.809 1.00 0.00 O ATOM 76 CB TYR A 7 7.128 0.726 17.598 1.00 0.00 C ATOM 77 CG TYR A 7 7.635 -0.715 17.350 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.037 -1.789 18.019 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.645 -0.976 16.413 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.452 -3.095 17.779 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.047 -2.287 16.161 1.00 0.00 C ATOM 82 CZ TYR A 7 8.454 -3.345 16.847 1.00 0.00 C ATOM 83 OH TYR A 7 8.853 -4.634 16.610 1.00 0.00 O ATOM 0 H TYR A 7 6.417 0.731 20.364 1.00 0.00 H new ATOM 0 HA TYR A 7 8.748 1.601 18.698 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.042 0.687 17.680 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.360 1.317 16.712 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.245 -1.602 18.729 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.113 -0.159 15.885 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.997 -3.914 18.316 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.820 -2.483 15.432 1.00 0.00 H new ATOM 0 HH TYR A 7 8.100 -5.242 16.760 1.00 0.00 H new ATOM 93 N GLN A 8 7.820 3.952 19.229 1.00 0.00 N ATOM 94 CA GLN A 8 7.306 5.342 19.374 1.00 0.00 C ATOM 95 C GLN A 8 7.115 6.026 17.993 1.00 0.00 C ATOM 96 O GLN A 8 7.910 5.844 17.068 1.00 0.00 O ATOM 97 CB GLN A 8 8.212 6.163 20.330 1.00 0.00 C ATOM 98 CG GLN A 8 7.599 7.518 20.764 1.00 0.00 C ATOM 99 CD GLN A 8 8.305 8.198 21.946 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.524 8.363 21.970 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.541 8.627 22.940 1.00 0.00 N ATOM 0 H GLN A 8 8.829 3.869 19.350 1.00 0.00 H new ATOM 0 HA GLN A 8 6.317 5.298 19.829 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.420 5.568 21.219 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.168 6.348 19.840 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.614 8.197 19.911 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.553 7.360 21.027 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.532 8.483 22.906 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.962 9.101 23.739 1.00 0.00 H new ATOM 110 N LEU A 9 6.043 6.830 17.891 1.00 0.00 N ATOM 111 CA LEU A 9 5.618 7.465 16.619 1.00 0.00 C ATOM 112 C LEU A 9 6.571 8.620 16.187 1.00 0.00 C ATOM 113 O LEU A 9 6.745 9.614 16.895 1.00 0.00 O ATOM 114 CB LEU A 9 4.140 7.914 16.787 1.00 0.00 C ATOM 115 CG LEU A 9 3.424 8.489 15.534 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.362 7.513 14.344 1.00 0.00 C ATOM 117 CD2 LEU A 9 1.997 8.919 15.910 1.00 0.00 C ATOM 0 H LEU A 9 5.444 7.062 18.683 1.00 0.00 H new ATOM 0 HA LEU A 9 5.681 6.748 15.800 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.565 7.058 17.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.104 8.669 17.572 1.00 0.00 H new ATOM 0 HG LEU A 9 4.021 9.340 15.206 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.847 7.989 13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.374 7.244 14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.821 6.614 14.639 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.495 9.322 15.031 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.443 8.057 16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.040 9.683 16.686 1.00 0.00 H new ATOM 129 N GLN A 10 7.180 8.445 15.006 1.00 0.00 N ATOM 130 CA GLN A 10 8.175 9.383 14.431 1.00 0.00 C ATOM 131 C GLN A 10 7.495 10.470 13.542 1.00 0.00 C ATOM 132 O GLN A 10 7.566 11.650 13.895 1.00 0.00 O ATOM 133 CB GLN A 10 9.250 8.515 13.719 1.00 0.00 C ATOM 134 CG GLN A 10 10.451 9.280 13.120 1.00 0.00 C ATOM 135 CD GLN A 10 11.455 8.349 12.422 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.525 8.042 12.946 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.127 7.868 11.232 1.00 0.00 N ATOM 0 H GLN A 10 6.998 7.638 14.409 1.00 0.00 H new ATOM 0 HA GLN A 10 8.673 9.975 15.199 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.630 7.785 14.433 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.765 7.956 12.919 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.087 10.018 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.960 9.828 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.238 8.127 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.763 7.238 10.743 1.00 0.00 H new ATOM 146 N SER A 11 6.874 10.086 12.403 1.00 0.00 N ATOM 147 CA SER A 11 6.323 11.044 11.407 1.00 0.00 C ATOM 148 C SER A 11 4.912 10.589 10.954 1.00 0.00 C ATOM 149 O SER A 11 4.728 9.445 10.521 1.00 0.00 O ATOM 150 CB SER A 11 7.290 11.138 10.204 1.00 0.00 C ATOM 151 OG SER A 11 6.862 12.132 9.278 1.00 0.00 O ATOM 0 H SER A 11 6.739 9.108 12.146 1.00 0.00 H new ATOM 0 HA SER A 11 6.227 12.031 11.858 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.294 11.374 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.348 10.171 9.704 1.00 0.00 H new ATOM 0 HG SER A 11 7.491 12.173 8.528 1.00 0.00 H new ATOM 157 N GLN A 12 3.936 11.515 11.014 1.00 0.00 N ATOM 158 CA GLN A 12 2.547 11.259 10.540 1.00 0.00 C ATOM 159 C GLN A 12 2.377 11.857 9.118 1.00 0.00 C ATOM 160 O GLN A 12 2.659 13.040 8.889 1.00 0.00 O ATOM 161 CB GLN A 12 1.443 11.827 11.477 1.00 0.00 C ATOM 162 CG GLN A 12 1.588 11.471 12.972 1.00 0.00 C ATOM 163 CD GLN A 12 0.286 11.395 13.772 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.430 10.396 13.718 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.030 12.417 14.550 1.00 0.00 N ATOM 0 H GLN A 12 4.077 12.454 11.387 1.00 0.00 H new ATOM 0 HA GLN A 12 2.414 10.177 10.535 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.433 12.913 11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.475 11.467 11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.095 10.509 13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.236 12.211 13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.574 13.238 14.584 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.878 12.384 15.116 1.00 0.00 H new ATOM 174 N GLU A 13 1.869 11.040 8.181 1.00 0.00 N ATOM 175 CA GLU A 13 1.512 11.501 6.811 1.00 0.00 C ATOM 176 C GLU A 13 0.166 12.288 6.791 1.00 0.00 C ATOM 177 O GLU A 13 0.174 13.465 6.421 1.00 0.00 O ATOM 178 CB GLU A 13 1.558 10.286 5.852 1.00 0.00 C ATOM 179 CG GLU A 13 1.325 10.558 4.351 1.00 0.00 C ATOM 180 CD GLU A 13 2.454 11.325 3.659 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.437 10.688 3.221 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.363 12.568 3.550 1.00 0.00 O ATOM 0 H GLU A 13 1.692 10.048 8.340 1.00 0.00 H new ATOM 0 HA GLU A 13 2.243 12.227 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.531 9.808 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.810 9.566 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.185 9.605 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.398 11.120 4.237 1.00 0.00 H new ATOM 189 N ASN A 14 -0.959 11.646 7.169 1.00 0.00 N ATOM 190 CA ASN A 14 -2.296 12.294 7.186 1.00 0.00 C ATOM 191 C ASN A 14 -3.043 11.898 8.489 1.00 0.00 C ATOM 192 O ASN A 14 -3.990 11.112 8.449 1.00 0.00 O ATOM 193 CB ASN A 14 -3.096 11.909 5.902 1.00 0.00 C ATOM 194 CG ASN A 14 -2.657 12.590 4.590 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.390 13.790 4.542 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.600 11.848 3.495 1.00 0.00 N ATOM 0 H ASN A 14 -0.972 10.671 7.470 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.188 13.379 7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.026 10.830 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.147 12.141 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.334 12.271 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.822 10.854 3.541 1.00 0.00 H new ATOM 203 N PHE A 15 -2.662 12.477 9.647 1.00 0.00 N ATOM 204 CA PHE A 15 -3.509 12.440 10.879 1.00 0.00 C ATOM 205 C PHE A 15 -4.652 13.499 10.849 1.00 0.00 C ATOM 206 O PHE A 15 -5.801 13.140 11.114 1.00 0.00 O ATOM 207 CB PHE A 15 -2.613 12.510 12.143 1.00 0.00 C ATOM 208 CG PHE A 15 -3.327 12.339 13.505 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.499 11.061 14.052 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.743 13.456 14.241 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.045 10.904 15.324 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.311 13.293 15.503 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.454 12.019 16.047 1.00 0.00 C ATOM 0 H PHE A 15 -1.780 12.975 9.764 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.033 11.485 10.915 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.846 11.740 12.061 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.100 13.472 12.145 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.206 10.191 13.483 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.623 14.447 13.829 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.151 9.917 15.748 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.641 14.157 16.061 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.883 11.897 17.031 1.00 0.00 H new ATOM 223 N GLU A 16 -4.357 14.775 10.532 1.00 0.00 N ATOM 224 CA GLU A 16 -5.371 15.867 10.481 1.00 0.00 C ATOM 225 C GLU A 16 -6.525 15.665 9.445 1.00 0.00 C ATOM 226 O GLU A 16 -7.689 15.885 9.793 1.00 0.00 O ATOM 227 CB GLU A 16 -4.696 17.256 10.308 1.00 0.00 C ATOM 228 CG GLU A 16 -3.733 17.703 11.435 1.00 0.00 C ATOM 229 CD GLU A 16 -2.293 17.195 11.285 1.00 0.00 C ATOM 230 OE1 GLU A 16 -1.525 17.786 10.493 1.00 0.00 O ATOM 231 OE2 GLU A 16 -1.922 16.206 11.953 1.00 0.00 O ATOM 0 H GLU A 16 -3.413 15.086 10.303 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.865 15.825 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.143 17.252 9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.480 18.007 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.718 18.792 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.128 17.358 12.390 1.00 0.00 H new ATOM 238 N ALA A 17 -6.209 15.216 8.212 1.00 0.00 N ATOM 239 CA ALA A 17 -7.226 14.811 7.204 1.00 0.00 C ATOM 240 C ALA A 17 -8.008 13.502 7.526 1.00 0.00 C ATOM 241 O ALA A 17 -9.238 13.504 7.416 1.00 0.00 O ATOM 242 CB ALA A 17 -6.547 14.724 5.821 1.00 0.00 C ATOM 0 H ALA A 17 -5.248 15.122 7.883 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.995 15.583 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.282 14.428 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.133 15.697 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.746 13.986 5.855 1.00 0.00 H new ATOM 248 N PHE A 18 -7.321 12.405 7.913 1.00 0.00 N ATOM 249 CA PHE A 18 -7.958 11.093 8.231 1.00 0.00 C ATOM 250 C PHE A 18 -8.900 11.117 9.473 1.00 0.00 C ATOM 251 O PHE A 18 -10.021 10.616 9.372 1.00 0.00 O ATOM 252 CB PHE A 18 -6.834 10.027 8.362 1.00 0.00 C ATOM 253 CG PHE A 18 -7.261 8.557 8.513 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.529 8.040 9.787 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.331 7.710 7.401 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.862 6.700 9.946 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.662 6.368 7.565 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.930 5.867 8.835 1.00 0.00 C ATOM 0 H PHE A 18 -6.306 12.397 8.016 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.628 10.837 7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.195 10.103 7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.221 10.289 9.224 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.477 8.686 10.651 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.128 8.098 6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.068 6.307 10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.711 5.715 6.706 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.192 4.827 8.958 1.00 0.00 H new ATOM 268 N MET A 19 -8.446 11.672 10.615 1.00 0.00 N ATOM 269 CA MET A 19 -9.261 11.774 11.863 1.00 0.00 C ATOM 270 C MET A 19 -10.531 12.675 11.755 1.00 0.00 C ATOM 271 O MET A 19 -11.577 12.305 12.299 1.00 0.00 O ATOM 272 CB MET A 19 -8.380 12.185 13.072 1.00 0.00 C ATOM 273 CG MET A 19 -7.247 11.210 13.437 1.00 0.00 C ATOM 274 SD MET A 19 -7.876 9.532 13.656 1.00 0.00 S ATOM 275 CE MET A 19 -6.368 8.582 13.391 1.00 0.00 C ATOM 0 H MET A 19 -7.509 12.064 10.708 1.00 0.00 H new ATOM 0 HA MET A 19 -9.650 10.769 12.026 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.941 13.160 12.863 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.024 12.306 13.943 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.490 11.218 12.653 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.760 11.541 14.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.624 7.590 13.019 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.740 9.093 12.661 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.827 8.488 14.333 1.00 0.00 H new ATOM 285 N LYS A 20 -10.459 13.805 11.021 1.00 0.00 N ATOM 286 CA LYS A 20 -11.654 14.587 10.599 1.00 0.00 C ATOM 287 C LYS A 20 -12.644 13.825 9.654 1.00 0.00 C ATOM 288 O LYS A 20 -13.858 13.915 9.862 1.00 0.00 O ATOM 289 CB LYS A 20 -11.137 15.921 9.988 1.00 0.00 C ATOM 290 CG LYS A 20 -12.191 17.044 9.869 1.00 0.00 C ATOM 291 CD LYS A 20 -11.653 18.404 9.362 1.00 0.00 C ATOM 292 CE LYS A 20 -10.909 19.293 10.385 1.00 0.00 C ATOM 293 NZ LYS A 20 -9.508 18.900 10.626 1.00 0.00 N ATOM 0 H LYS A 20 -9.577 14.205 10.702 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.273 14.777 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.310 16.285 10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.735 15.716 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.980 16.710 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.650 17.195 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.978 18.211 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.494 18.974 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.929 20.325 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.449 19.267 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.953 19.739 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.471 18.203 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.111 18.481 9.761 1.00 0.00 H new ATOM 307 N ALA A 21 -12.137 13.078 8.649 1.00 0.00 N ATOM 308 CA ALA A 21 -12.972 12.279 7.710 1.00 0.00 C ATOM 309 C ALA A 21 -13.726 11.056 8.312 1.00 0.00 C ATOM 310 O ALA A 21 -14.899 10.863 7.982 1.00 0.00 O ATOM 311 CB ALA A 21 -12.095 11.848 6.520 1.00 0.00 C ATOM 0 H ALA A 21 -11.137 13.008 8.461 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.782 12.941 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.692 11.261 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.709 12.733 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.262 11.245 6.881 1.00 0.00 H new ATOM 317 N ILE A 22 -13.084 10.255 9.189 1.00 0.00 N ATOM 318 CA ILE A 22 -13.757 9.144 9.939 1.00 0.00 C ATOM 319 C ILE A 22 -14.883 9.607 10.929 1.00 0.00 C ATOM 320 O ILE A 22 -15.919 8.941 11.000 1.00 0.00 O ATOM 321 CB ILE A 22 -12.735 8.152 10.612 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.867 8.793 11.739 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.880 7.406 9.555 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.902 7.867 12.499 1.00 0.00 C ATOM 0 H ILE A 22 -12.091 10.349 9.404 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.283 8.582 9.167 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.345 7.409 11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.282 9.600 11.297 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.540 9.248 12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.187 6.731 10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.533 6.832 8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.318 8.130 8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.363 8.442 13.252 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.468 7.072 12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.190 7.429 11.799 1.00 0.00 H new ATOM 336 N GLY A 23 -14.678 10.716 11.672 1.00 0.00 N ATOM 337 CA GLY A 23 -15.682 11.277 12.604 1.00 0.00 C ATOM 338 C GLY A 23 -15.169 11.402 14.053 1.00 0.00 C ATOM 339 O GLY A 23 -15.669 10.703 14.939 1.00 0.00 O ATOM 0 H GLY A 23 -13.809 11.249 11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.987 12.261 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.570 10.645 12.594 1.00 0.00 H new ATOM 343 N LEU A 24 -14.212 12.318 14.283 1.00 0.00 N ATOM 344 CA LEU A 24 -13.714 12.673 15.644 1.00 0.00 C ATOM 345 C LEU A 24 -13.813 14.217 15.898 1.00 0.00 C ATOM 346 O LEU A 24 -13.770 14.991 14.933 1.00 0.00 O ATOM 347 CB LEU A 24 -12.246 12.179 15.839 1.00 0.00 C ATOM 348 CG LEU A 24 -12.060 10.665 16.137 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.572 10.280 16.037 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.596 10.259 17.527 1.00 0.00 C ATOM 0 H LEU A 24 -13.755 12.840 13.535 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.349 12.170 16.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.681 12.422 14.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.801 12.745 16.657 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.641 10.128 15.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.456 9.217 16.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.208 10.492 15.032 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.997 10.858 16.760 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.439 9.191 17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.066 10.818 18.299 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.662 10.481 17.585 1.00 0.00 H new ATOM 362 N PRO A 25 -13.912 14.727 17.167 1.00 0.00 N ATOM 363 CA PRO A 25 -13.949 16.186 17.458 1.00 0.00 C ATOM 364 C PRO A 25 -12.581 16.906 17.263 1.00 0.00 C ATOM 365 O PRO A 25 -11.515 16.280 17.301 1.00 0.00 O ATOM 366 CB PRO A 25 -14.423 16.205 18.926 1.00 0.00 C ATOM 367 CG PRO A 25 -13.895 14.905 19.536 1.00 0.00 C ATOM 368 CD PRO A 25 -13.999 13.899 18.391 1.00 0.00 C ATOM 0 HA PRO A 25 -14.595 16.735 16.773 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.033 17.075 19.454 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.510 16.256 18.988 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.867 15.013 19.882 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.489 14.596 20.396 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.194 13.165 18.432 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.938 13.346 18.431 1.00 0.00 H new ATOM 376 N GLU A 26 -12.633 18.239 17.090 1.00 0.00 N ATOM 377 CA GLU A 26 -11.417 19.089 16.908 1.00 0.00 C ATOM 378 C GLU A 26 -10.392 19.145 18.093 1.00 0.00 C ATOM 379 O GLU A 26 -9.225 19.460 17.848 1.00 0.00 O ATOM 380 CB GLU A 26 -11.875 20.505 16.450 1.00 0.00 C ATOM 381 CG GLU A 26 -10.834 21.351 15.679 1.00 0.00 C ATOM 382 CD GLU A 26 -10.529 20.851 14.258 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.697 19.932 14.099 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.124 21.381 13.293 1.00 0.00 O ATOM 0 H GLU A 26 -13.507 18.765 17.071 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.821 18.594 16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.757 20.391 15.819 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.184 21.066 17.332 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.193 22.379 15.619 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.906 21.370 16.250 1.00 0.00 H new ATOM 391 N GLU A 27 -10.786 18.792 19.338 1.00 0.00 N ATOM 392 CA GLU A 27 -9.834 18.545 20.459 1.00 0.00 C ATOM 393 C GLU A 27 -8.865 17.348 20.205 1.00 0.00 C ATOM 394 O GLU A 27 -7.652 17.554 20.250 1.00 0.00 O ATOM 395 CB GLU A 27 -10.590 18.368 21.808 1.00 0.00 C ATOM 396 CG GLU A 27 -11.346 19.597 22.361 1.00 0.00 C ATOM 397 CD GLU A 27 -10.438 20.750 22.806 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.970 20.738 23.966 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.189 21.670 21.996 1.00 0.00 O ATOM 0 H GLU A 27 -11.765 18.670 19.599 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.208 19.435 20.518 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.307 17.556 21.689 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.869 18.049 22.560 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.029 19.963 21.595 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.956 19.283 23.208 1.00 0.00 H new ATOM 406 N LEU A 28 -9.379 16.132 19.918 1.00 0.00 N ATOM 407 CA LEU A 28 -8.536 14.935 19.626 1.00 0.00 C ATOM 408 C LEU A 28 -7.747 14.965 18.277 1.00 0.00 C ATOM 409 O LEU A 28 -6.627 14.446 18.235 1.00 0.00 O ATOM 410 CB LEU A 28 -9.395 13.643 19.736 1.00 0.00 C ATOM 411 CG LEU A 28 -10.038 13.318 21.118 1.00 0.00 C ATOM 412 CD1 LEU A 28 -10.949 12.082 21.000 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.008 13.112 22.251 1.00 0.00 C ATOM 0 H LEU A 28 -10.381 15.945 19.880 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.756 14.947 20.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.196 13.709 19.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.769 12.798 19.450 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.625 14.194 21.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.393 11.863 21.971 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.739 12.280 20.276 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.360 11.226 20.670 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.530 12.890 23.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.349 12.281 21.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.417 14.019 22.375 1.00 0.00 H new ATOM 425 N ILE A 29 -8.287 15.591 17.207 1.00 0.00 N ATOM 426 CA ILE A 29 -7.523 15.910 15.960 1.00 0.00 C ATOM 427 C ILE A 29 -6.331 16.892 16.248 1.00 0.00 C ATOM 428 O ILE A 29 -5.203 16.595 15.841 1.00 0.00 O ATOM 429 CB ILE A 29 -8.444 16.440 14.797 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.725 15.596 14.503 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.637 16.572 13.477 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.852 16.365 13.798 1.00 0.00 C ATOM 0 H ILE A 29 -9.261 15.892 17.174 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.100 14.968 15.610 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.791 17.406 15.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.447 14.741 13.887 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.107 15.200 15.444 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.291 16.939 12.686 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.814 17.272 13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.239 15.597 13.195 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.700 15.700 13.635 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.164 17.204 14.419 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.493 16.738 12.838 1.00 0.00 H new ATOM 444 N GLN A 30 -6.578 18.034 16.929 1.00 0.00 N ATOM 445 CA GLN A 30 -5.506 19.002 17.304 1.00 0.00 C ATOM 446 C GLN A 30 -4.942 18.737 18.746 1.00 0.00 C ATOM 447 O GLN A 30 -4.879 19.629 19.597 1.00 0.00 O ATOM 448 CB GLN A 30 -6.024 20.465 17.121 1.00 0.00 C ATOM 449 CG GLN A 30 -6.723 20.873 15.798 1.00 0.00 C ATOM 450 CD GLN A 30 -5.837 20.918 14.543 1.00 0.00 C ATOM 451 OE1 GLN A 30 -4.968 21.779 14.406 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.049 20.022 13.589 1.00 0.00 N ATOM 0 H GLN A 30 -7.510 18.314 17.233 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.661 18.857 16.631 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.722 20.667 17.934 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.173 21.131 17.258 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.540 20.176 15.614 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.169 21.858 15.937 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.771 19.311 13.708 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.491 20.044 12.736 1.00 0.00 H new ATOM 461 N LYS A 31 -4.495 17.491 18.988 1.00 0.00 N ATOM 462 CA LYS A 31 -3.786 17.059 20.224 1.00 0.00 C ATOM 463 C LYS A 31 -2.743 15.969 19.838 1.00 0.00 C ATOM 464 O LYS A 31 -1.562 16.134 20.153 1.00 0.00 O ATOM 465 CB LYS A 31 -4.771 16.611 21.343 1.00 0.00 C ATOM 466 CG LYS A 31 -4.095 16.312 22.697 1.00 0.00 C ATOM 467 CD LYS A 31 -5.077 15.960 23.834 1.00 0.00 C ATOM 468 CE LYS A 31 -4.393 15.741 25.200 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.927 16.993 25.828 1.00 0.00 N ATOM 0 H LYS A 31 -4.616 16.732 18.318 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.254 17.905 20.659 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.519 17.391 21.487 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.301 15.719 21.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.397 15.485 22.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.508 17.180 22.996 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.810 16.761 23.929 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.624 15.057 23.563 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.092 15.244 25.873 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.544 15.070 25.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.478 16.777 26.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.237 17.459 25.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.737 17.627 25.982 1.00 0.00 H new ATOM 483 N GLY A 32 -3.163 14.884 19.146 1.00 0.00 N ATOM 484 CA GLY A 32 -2.226 13.918 18.529 1.00 0.00 C ATOM 485 C GLY A 32 -1.290 14.418 17.403 1.00 0.00 C ATOM 486 O GLY A 32 -0.198 13.856 17.278 1.00 0.00 O ATOM 0 H GLY A 32 -4.147 14.656 19.001 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.601 13.508 19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.815 13.093 18.129 1.00 0.00 H new ATOM 490 N LYS A 33 -1.668 15.466 16.628 1.00 0.00 N ATOM 491 CA LYS A 33 -0.767 16.137 15.642 1.00 0.00 C ATOM 492 C LYS A 33 0.680 16.491 16.134 1.00 0.00 C ATOM 493 O LYS A 33 1.655 16.145 15.462 1.00 0.00 O ATOM 494 CB LYS A 33 -1.477 17.336 14.953 1.00 0.00 C ATOM 495 CG LYS A 33 -1.783 18.593 15.804 1.00 0.00 C ATOM 496 CD LYS A 33 -2.456 19.750 15.034 1.00 0.00 C ATOM 497 CE LYS A 33 -1.532 20.691 14.231 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.044 20.120 12.962 1.00 0.00 N ATOM 0 H LYS A 33 -2.603 15.873 16.665 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.574 15.366 14.896 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.861 17.647 14.109 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.420 16.974 14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.428 18.304 16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.851 18.957 16.237 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.183 19.320 14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.014 20.354 15.750 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.070 21.615 14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.675 20.956 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.744 20.888 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.237 19.492 13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.807 19.576 12.510 1.00 0.00 H new ATOM 512 N ASP A 34 0.797 17.126 17.317 1.00 0.00 N ATOM 513 CA ASP A 34 2.090 17.360 18.013 1.00 0.00 C ATOM 514 C ASP A 34 2.554 16.147 18.886 1.00 0.00 C ATOM 515 O ASP A 34 3.736 15.796 18.831 1.00 0.00 O ATOM 516 CB ASP A 34 1.947 18.675 18.832 1.00 0.00 C ATOM 517 CG ASP A 34 3.241 19.186 19.485 1.00 0.00 C ATOM 518 OD1 ASP A 34 4.039 19.865 18.802 1.00 0.00 O ATOM 519 OD2 ASP A 34 3.463 18.903 20.685 1.00 0.00 O ATOM 0 H ASP A 34 -0.006 17.496 17.825 1.00 0.00 H new ATOM 0 HA ASP A 34 2.886 17.464 17.276 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.560 19.453 18.174 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.203 18.518 19.613 1.00 0.00 H new ATOM 524 N ILE A 35 1.664 15.555 19.713 1.00 0.00 N ATOM 525 CA ILE A 35 2.055 14.616 20.805 1.00 0.00 C ATOM 526 C ILE A 35 2.214 13.183 20.207 1.00 0.00 C ATOM 527 O ILE A 35 1.246 12.568 19.745 1.00 0.00 O ATOM 528 CB ILE A 35 1.034 14.693 22.002 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.947 16.116 22.648 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.327 13.645 23.111 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.266 16.358 23.561 1.00 0.00 C ATOM 0 H ILE A 35 0.658 15.709 19.649 1.00 0.00 H new ATOM 0 HA ILE A 35 3.018 14.902 21.228 1.00 0.00 H new ATOM 0 HB ILE A 35 0.069 14.464 21.549 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.855 16.289 23.226 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.932 16.858 21.849 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.592 13.745 23.910 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.269 12.642 22.688 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.326 13.812 23.514 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.228 17.374 23.955 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.184 16.225 22.989 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.247 15.647 24.387 1.00 0.00 H new ATOM 543 N LYS A 36 3.452 12.664 20.288 1.00 0.00 N ATOM 544 CA LYS A 36 3.778 11.249 19.969 1.00 0.00 C ATOM 545 C LYS A 36 3.634 10.324 21.215 1.00 0.00 C ATOM 546 O LYS A 36 3.864 10.746 22.356 1.00 0.00 O ATOM 547 CB LYS A 36 5.196 11.157 19.335 1.00 0.00 C ATOM 548 CG LYS A 36 6.406 11.590 20.201 1.00 0.00 C ATOM 549 CD LYS A 36 7.757 11.448 19.469 1.00 0.00 C ATOM 550 CE LYS A 36 8.994 11.812 20.313 1.00 0.00 C ATOM 551 NZ LYS A 36 9.114 13.259 20.579 1.00 0.00 N ATOM 0 H LYS A 36 4.263 13.211 20.577 1.00 0.00 H new ATOM 0 HA LYS A 36 3.055 10.888 19.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.358 10.124 19.026 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.198 11.764 18.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.273 12.628 20.507 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.428 10.989 21.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.860 10.419 19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.741 12.081 18.582 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.948 11.278 21.262 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.891 11.469 19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.965 13.438 21.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.188 13.773 19.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.274 13.588 21.097 1.00 0.00 H new ATOM 565 N GLY A 37 3.297 9.048 20.969 1.00 0.00 N ATOM 566 CA GLY A 37 3.243 8.016 22.029 1.00 0.00 C ATOM 567 C GLY A 37 3.638 6.607 21.541 1.00 0.00 C ATOM 568 O GLY A 37 3.871 6.352 20.354 1.00 0.00 O ATOM 0 H GLY A 37 3.056 8.700 20.041 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.906 8.308 22.843 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.233 7.980 22.438 1.00 0.00 H new ATOM 572 N VAL A 38 3.733 5.693 22.518 1.00 0.00 N ATOM 573 CA VAL A 38 4.413 4.379 22.335 1.00 0.00 C ATOM 574 C VAL A 38 3.347 3.300 21.981 1.00 0.00 C ATOM 575 O VAL A 38 2.395 3.062 22.732 1.00 0.00 O ATOM 576 CB VAL A 38 5.293 4.017 23.582 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.039 2.669 23.427 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.358 5.097 23.904 1.00 0.00 C ATOM 0 H VAL A 38 3.348 5.831 23.453 1.00 0.00 H new ATOM 0 HA VAL A 38 5.113 4.430 21.501 1.00 0.00 H new ATOM 0 HB VAL A 38 4.573 3.950 24.397 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.630 2.475 24.322 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.315 1.866 23.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.698 2.715 22.560 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.935 4.790 24.776 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.026 5.216 23.051 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.863 6.046 24.112 1.00 0.00 H new ATOM 588 N SER A 39 3.578 2.629 20.839 1.00 0.00 N ATOM 589 CA SER A 39 2.768 1.474 20.383 1.00 0.00 C ATOM 590 C SER A 39 3.481 0.162 20.814 1.00 0.00 C ATOM 591 O SER A 39 4.503 -0.218 20.233 1.00 0.00 O ATOM 592 CB SER A 39 2.577 1.551 18.848 1.00 0.00 C ATOM 593 OG SER A 39 1.843 2.709 18.471 1.00 0.00 O ATOM 0 H SER A 39 4.335 2.870 20.199 1.00 0.00 H new ATOM 0 HA SER A 39 1.778 1.491 20.839 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.551 1.562 18.359 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.056 0.659 18.500 1.00 0.00 H new ATOM 0 HG SER A 39 1.741 2.729 17.496 1.00 0.00 H new ATOM 599 N GLU A 40 2.950 -0.503 21.859 1.00 0.00 N ATOM 600 CA GLU A 40 3.609 -1.677 22.498 1.00 0.00 C ATOM 601 C GLU A 40 2.979 -2.980 21.939 1.00 0.00 C ATOM 602 O GLU A 40 1.781 -3.230 22.115 1.00 0.00 O ATOM 603 CB GLU A 40 3.495 -1.566 24.042 1.00 0.00 C ATOM 604 CG GLU A 40 4.329 -2.610 24.818 1.00 0.00 C ATOM 605 CD GLU A 40 4.228 -2.433 26.334 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.000 -1.629 26.902 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.372 -3.093 26.964 1.00 0.00 O ATOM 0 H GLU A 40 2.059 -0.250 22.287 1.00 0.00 H new ATOM 0 HA GLU A 40 4.673 -1.699 22.261 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.809 -0.568 24.347 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.448 -1.671 24.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.992 -3.611 24.549 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.373 -2.533 24.516 1.00 0.00 H new ATOM 614 N ILE A 41 3.810 -3.785 21.257 1.00 0.00 N ATOM 615 CA ILE A 41 3.335 -4.930 20.429 1.00 0.00 C ATOM 616 C ILE A 41 3.942 -6.226 21.038 1.00 0.00 C ATOM 617 O ILE A 41 5.156 -6.316 21.255 1.00 0.00 O ATOM 618 CB ILE A 41 3.687 -4.766 18.905 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.391 -3.346 18.335 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.966 -5.846 18.055 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.801 -3.099 16.884 1.00 0.00 C ATOM 0 H ILE A 41 4.824 -3.671 21.257 1.00 0.00 H new ATOM 0 HA ILE A 41 2.246 -4.976 20.455 1.00 0.00 H new ATOM 0 HB ILE A 41 4.766 -4.902 18.837 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.321 -3.158 18.425 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.897 -2.613 18.963 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.224 -5.714 17.004 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.280 -6.837 18.384 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.888 -5.747 18.179 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.544 -2.078 16.602 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.876 -3.245 16.780 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.275 -3.798 16.233 1.00 0.00 H new ATOM 633 N VAL A 42 3.078 -7.226 21.279 1.00 0.00 N ATOM 634 CA VAL A 42 3.502 -8.565 21.783 1.00 0.00 C ATOM 635 C VAL A 42 2.940 -9.616 20.778 1.00 0.00 C ATOM 636 O VAL A 42 1.724 -9.820 20.695 1.00 0.00 O ATOM 637 CB VAL A 42 3.043 -8.817 23.265 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.439 -10.218 23.795 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.579 -7.767 24.268 1.00 0.00 C ATOM 0 H VAL A 42 2.072 -7.142 21.135 1.00 0.00 H new ATOM 0 HA VAL A 42 4.589 -8.638 21.829 1.00 0.00 H new ATOM 0 HB VAL A 42 1.957 -8.737 23.208 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.094 -10.329 24.823 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.979 -10.986 23.173 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.523 -10.326 23.763 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.222 -8.005 25.270 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.669 -7.779 24.259 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.224 -6.777 23.982 1.00 0.00 H new ATOM 649 N GLN A 43 3.847 -10.328 20.083 1.00 0.00 N ATOM 650 CA GLN A 43 3.513 -11.584 19.361 1.00 0.00 C ATOM 651 C GLN A 43 3.849 -12.770 20.310 1.00 0.00 C ATOM 652 O GLN A 43 5.024 -13.033 20.596 1.00 0.00 O ATOM 653 CB GLN A 43 4.299 -11.653 18.020 1.00 0.00 C ATOM 654 CG GLN A 43 4.000 -12.905 17.159 1.00 0.00 C ATOM 655 CD GLN A 43 4.912 -13.053 15.929 1.00 0.00 C ATOM 656 OE1 GLN A 43 6.067 -13.462 16.043 1.00 0.00 O ATOM 657 NE2 GLN A 43 4.426 -12.747 14.738 1.00 0.00 N ATOM 0 H GLN A 43 4.827 -10.057 20.002 1.00 0.00 H new ATOM 0 HA GLN A 43 2.456 -11.627 19.100 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.070 -10.763 17.434 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.367 -11.625 18.238 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.101 -13.794 17.782 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.963 -12.865 16.826 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.468 -12.408 14.650 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.009 -12.850 13.907 1.00 0.00 H new ATOM 666 N ASN A 44 2.807 -13.496 20.756 1.00 0.00 N ATOM 667 CA ASN A 44 2.958 -14.770 21.505 1.00 0.00 C ATOM 668 C ASN A 44 2.544 -15.953 20.575 1.00 0.00 C ATOM 669 O ASN A 44 1.475 -16.550 20.744 1.00 0.00 O ATOM 670 CB ASN A 44 2.147 -14.652 22.830 1.00 0.00 C ATOM 671 CG ASN A 44 2.374 -15.788 23.841 1.00 0.00 C ATOM 672 OD1 ASN A 44 1.711 -16.824 23.800 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.298 -15.613 24.770 1.00 0.00 N ATOM 0 H ASN A 44 1.835 -13.221 20.611 1.00 0.00 H new ATOM 0 HA ASN A 44 3.989 -14.974 21.795 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.399 -13.706 23.309 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.086 -14.612 22.585 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.468 -16.341 25.464 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.841 -14.750 24.793 1.00 0.00 H new ATOM 680 N GLY A 45 3.394 -16.265 19.572 1.00 0.00 N ATOM 681 CA GLY A 45 3.073 -17.255 18.516 1.00 0.00 C ATOM 682 C GLY A 45 1.991 -16.753 17.535 1.00 0.00 C ATOM 683 O GLY A 45 2.212 -15.796 16.788 1.00 0.00 O ATOM 0 H GLY A 45 4.316 -15.842 19.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.980 -17.493 17.959 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.733 -18.180 18.982 1.00 0.00 H new ATOM 687 N LYS A 46 0.810 -17.388 17.601 1.00 0.00 N ATOM 688 CA LYS A 46 -0.436 -16.855 16.977 1.00 0.00 C ATOM 689 C LYS A 46 -1.195 -15.758 17.798 1.00 0.00 C ATOM 690 O LYS A 46 -1.866 -14.921 17.189 1.00 0.00 O ATOM 691 CB LYS A 46 -1.377 -18.019 16.555 1.00 0.00 C ATOM 692 CG LYS A 46 -1.964 -18.911 17.681 1.00 0.00 C ATOM 693 CD LYS A 46 -2.948 -19.998 17.204 1.00 0.00 C ATOM 694 CE LYS A 46 -2.294 -21.156 16.422 1.00 0.00 C ATOM 695 NZ LYS A 46 -3.289 -22.167 16.028 1.00 0.00 N ATOM 0 H LYS A 46 0.680 -18.278 18.081 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.099 -16.319 16.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.210 -17.592 15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.828 -18.663 15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.141 -19.393 18.208 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.474 -18.272 18.402 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.464 -20.409 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.705 -19.533 16.573 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.800 -20.764 15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.523 -21.622 17.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.818 -22.932 15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.742 -22.558 16.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.011 -21.726 15.423 1.00 0.00 H new ATOM 709 N HIS A 47 -1.123 -15.774 19.148 1.00 0.00 N ATOM 710 CA HIS A 47 -1.951 -14.914 20.033 1.00 0.00 C ATOM 711 C HIS A 47 -1.303 -13.509 20.162 1.00 0.00 C ATOM 712 O HIS A 47 -0.243 -13.337 20.769 1.00 0.00 O ATOM 713 CB HIS A 47 -2.127 -15.584 21.425 1.00 0.00 C ATOM 714 CG HIS A 47 -2.918 -16.898 21.423 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.347 -18.156 21.475 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.314 -17.013 21.295 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.470 -18.930 21.360 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.707 -18.344 21.249 1.00 0.00 N ATOM 0 H HIS A 47 -0.487 -16.386 19.660 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.941 -14.794 19.593 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.140 -15.774 21.846 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.627 -14.879 22.089 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.992 -16.175 21.240 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.383 -20.006 21.357 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.634 -18.760 21.160 1.00 0.00 H new ATOM 726 N PHE A 48 -1.961 -12.523 19.544 1.00 0.00 N ATOM 727 CA PHE A 48 -1.406 -11.166 19.320 1.00 0.00 C ATOM 728 C PHE A 48 -2.053 -10.097 20.243 1.00 0.00 C ATOM 729 O PHE A 48 -3.225 -10.181 20.626 1.00 0.00 O ATOM 730 CB PHE A 48 -1.661 -10.793 17.824 1.00 0.00 C ATOM 731 CG PHE A 48 -0.414 -10.786 16.934 1.00 0.00 C ATOM 732 CD1 PHE A 48 0.387 -9.639 16.876 1.00 0.00 C ATOM 733 CD2 PHE A 48 -0.143 -11.859 16.079 1.00 0.00 C ATOM 734 CE1 PHE A 48 1.422 -9.556 15.952 1.00 0.00 C ATOM 735 CE2 PHE A 48 0.895 -11.772 15.155 1.00 0.00 C ATOM 736 CZ PHE A 48 1.671 -10.619 15.087 1.00 0.00 C ATOM 0 H PHE A 48 -2.906 -12.637 19.177 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.342 -11.179 19.557 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.381 -11.497 17.408 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.121 -9.806 17.785 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.200 -8.817 17.551 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.740 -12.757 16.136 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.033 -8.667 15.905 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.098 -12.599 14.491 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.468 -10.548 14.362 1.00 0.00 H new ATOM 746 N LYS A 49 -1.280 -9.026 20.485 1.00 0.00 N ATOM 747 CA LYS A 49 -1.825 -7.704 20.886 1.00 0.00 C ATOM 748 C LYS A 49 -0.955 -6.558 20.290 1.00 0.00 C ATOM 749 O LYS A 49 0.248 -6.710 20.054 1.00 0.00 O ATOM 750 CB LYS A 49 -2.040 -7.552 22.420 1.00 0.00 C ATOM 751 CG LYS A 49 -0.792 -7.637 23.330 1.00 0.00 C ATOM 752 CD LYS A 49 -0.958 -7.011 24.732 1.00 0.00 C ATOM 753 CE LYS A 49 -1.907 -7.729 25.717 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.336 -7.443 25.481 1.00 0.00 N ATOM 0 H LYS A 49 -0.263 -9.044 20.411 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.827 -7.632 20.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.521 -6.590 22.598 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.741 -8.323 22.739 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.518 -8.686 23.448 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.040 -7.145 22.826 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.027 -6.952 25.194 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.313 -5.988 24.606 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.744 -8.804 25.645 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.650 -7.435 26.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.884 -7.692 26.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.458 -6.431 25.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.674 -8.004 24.673 1.00 0.00 H new ATOM 768 N PHE A 50 -1.586 -5.387 20.087 1.00 0.00 N ATOM 769 CA PHE A 50 -0.889 -4.140 19.702 1.00 0.00 C ATOM 770 C PHE A 50 -1.691 -2.939 20.274 1.00 0.00 C ATOM 771 O PHE A 50 -2.855 -2.744 19.906 1.00 0.00 O ATOM 772 CB PHE A 50 -0.635 -4.040 18.167 1.00 0.00 C ATOM 773 CG PHE A 50 -1.776 -3.688 17.187 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.850 -4.562 16.994 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.716 -2.506 16.437 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.838 -4.269 16.058 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.708 -2.212 15.504 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.769 -3.093 15.316 1.00 0.00 C ATOM 0 H PHE A 50 -2.595 -5.276 20.185 1.00 0.00 H new ATOM 0 HA PHE A 50 0.112 -4.133 20.134 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.149 -3.297 18.022 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.227 -5.000 17.849 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.914 -5.470 17.575 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.896 -1.819 16.583 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.659 -4.955 15.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.654 -1.301 14.927 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.539 -2.864 14.594 1.00 0.00 H new ATOM 788 N THR A 51 -1.064 -2.118 21.137 1.00 0.00 N ATOM 789 CA THR A 51 -1.654 -0.818 21.573 1.00 0.00 C ATOM 790 C THR A 51 -1.151 0.344 20.666 1.00 0.00 C ATOM 791 O THR A 51 -0.132 0.218 19.979 1.00 0.00 O ATOM 792 CB THR A 51 -1.489 -0.623 23.107 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.441 0.330 23.571 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.112 -0.218 23.632 1.00 0.00 C ATOM 0 H THR A 51 -0.154 -2.321 21.550 1.00 0.00 H new ATOM 0 HA THR A 51 -2.734 -0.819 21.426 1.00 0.00 H new ATOM 0 HB THR A 51 -1.646 -1.627 23.501 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.338 0.451 24.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.151 -0.120 24.717 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.619 -0.980 23.362 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.179 0.736 23.192 1.00 0.00 H new ATOM 802 N ILE A 52 -1.903 1.461 20.634 1.00 0.00 N ATOM 803 CA ILE A 52 -1.567 2.636 19.784 1.00 0.00 C ATOM 804 C ILE A 52 -1.875 3.899 20.643 1.00 0.00 C ATOM 805 O ILE A 52 -3.015 4.094 21.079 1.00 0.00 O ATOM 806 CB ILE A 52 -2.299 2.698 18.387 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.480 1.368 17.587 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.553 3.698 17.469 1.00 0.00 C ATOM 809 CD1 ILE A 52 -3.681 0.507 18.011 1.00 0.00 C ATOM 0 H ILE A 52 -2.752 1.581 21.187 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.516 2.564 19.503 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.312 2.997 18.655 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.582 1.610 16.529 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.572 0.774 17.691 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.053 3.746 16.502 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.556 4.686 17.929 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.524 3.366 17.330 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.719 -0.392 17.396 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.576 0.226 19.059 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.601 1.076 17.879 1.00 0.00 H new ATOM 821 N THR A 53 -0.857 4.756 20.850 1.00 0.00 N ATOM 822 CA THR A 53 -0.989 6.005 21.652 1.00 0.00 C ATOM 823 C THR A 53 -0.469 7.192 20.783 1.00 0.00 C ATOM 824 O THR A 53 0.675 7.173 20.319 1.00 0.00 O ATOM 825 CB THR A 53 -0.228 5.853 23.005 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.712 4.714 23.714 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.368 7.060 23.950 1.00 0.00 C ATOM 0 H THR A 53 0.079 4.611 20.472 1.00 0.00 H new ATOM 0 HA THR A 53 -2.028 6.205 21.912 1.00 0.00 H new ATOM 0 HB THR A 53 0.822 5.758 22.727 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.227 4.626 24.561 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.191 6.871 24.866 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.025 7.952 23.462 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.420 7.213 24.192 1.00 0.00 H new ATOM 835 N ALA A 54 -1.308 8.233 20.597 1.00 0.00 N ATOM 836 CA ALA A 54 -0.875 9.522 19.985 1.00 0.00 C ATOM 837 C ALA A 54 -1.868 10.640 20.404 1.00 0.00 C ATOM 838 O ALA A 54 -2.932 10.795 19.795 1.00 0.00 O ATOM 839 CB ALA A 54 -0.753 9.427 18.447 1.00 0.00 C ATOM 0 H ALA A 54 -2.293 8.212 20.860 1.00 0.00 H new ATOM 0 HA ALA A 54 0.122 9.763 20.354 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.435 10.390 18.047 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.018 8.665 18.187 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.720 9.159 18.021 1.00 0.00 H new ATOM 845 N GLY A 55 -1.513 11.415 21.447 1.00 0.00 N ATOM 846 CA GLY A 55 -2.388 12.482 21.988 1.00 0.00 C ATOM 847 C GLY A 55 -3.015 12.061 23.323 1.00 0.00 C ATOM 848 O GLY A 55 -2.330 12.053 24.351 1.00 0.00 O ATOM 0 H GLY A 55 -0.623 11.324 21.936 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.809 13.395 22.127 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.175 12.710 21.269 1.00 0.00 H new ATOM 852 N SER A 56 -4.310 11.706 23.289 1.00 0.00 N ATOM 853 CA SER A 56 -4.993 11.059 24.440 1.00 0.00 C ATOM 854 C SER A 56 -6.018 10.018 23.908 1.00 0.00 C ATOM 855 O SER A 56 -7.235 10.231 23.949 1.00 0.00 O ATOM 856 CB SER A 56 -5.602 12.130 25.375 1.00 0.00 C ATOM 857 OG SER A 56 -6.164 11.534 26.539 1.00 0.00 O ATOM 0 H SER A 56 -4.912 11.853 22.479 1.00 0.00 H new ATOM 0 HA SER A 56 -4.280 10.509 25.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.832 12.845 25.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.371 12.688 24.841 1.00 0.00 H new ATOM 0 HG SER A 56 -6.541 12.232 27.114 1.00 0.00 H new ATOM 863 N LYS A 57 -5.499 8.870 23.430 1.00 0.00 N ATOM 864 CA LYS A 57 -6.309 7.689 23.066 1.00 0.00 C ATOM 865 C LYS A 57 -5.366 6.458 23.144 1.00 0.00 C ATOM 866 O LYS A 57 -4.559 6.229 22.239 1.00 0.00 O ATOM 867 CB LYS A 57 -7.112 7.823 21.741 1.00 0.00 C ATOM 868 CG LYS A 57 -6.399 7.939 20.372 1.00 0.00 C ATOM 869 CD LYS A 57 -5.650 9.250 20.052 1.00 0.00 C ATOM 870 CE LYS A 57 -6.515 10.515 19.873 1.00 0.00 C ATOM 871 NZ LYS A 57 -7.322 10.491 18.637 1.00 0.00 N ATOM 0 H LYS A 57 -4.499 8.734 23.284 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.127 7.571 23.777 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.773 6.958 21.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.747 8.703 21.843 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.684 7.120 20.298 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.145 7.782 19.593 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.934 9.437 20.853 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.074 9.099 19.139 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.178 10.620 20.732 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.868 11.392 19.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.494 11.465 18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.810 9.968 17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.231 10.023 18.825 1.00 0.00 H new ATOM 885 N VAL A 58 -5.463 5.674 24.238 1.00 0.00 N ATOM 886 CA VAL A 58 -4.665 4.425 24.419 1.00 0.00 C ATOM 887 C VAL A 58 -5.606 3.267 23.972 1.00 0.00 C ATOM 888 O VAL A 58 -6.463 2.812 24.739 1.00 0.00 O ATOM 889 CB VAL A 58 -4.114 4.273 25.880 1.00 0.00 C ATOM 890 CG1 VAL A 58 -3.258 2.995 26.052 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.268 5.472 26.370 1.00 0.00 C ATOM 0 H VAL A 58 -6.088 5.879 25.018 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.757 4.429 23.816 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.017 4.217 26.487 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.899 2.933 27.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.864 2.118 25.826 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.407 3.033 25.372 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.927 5.285 27.388 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.405 5.600 25.716 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.875 6.377 26.351 1.00 0.00 H new ATOM 901 N ILE A 59 -5.452 2.837 22.707 1.00 0.00 N ATOM 902 CA ILE A 59 -6.416 1.918 22.037 1.00 0.00 C ATOM 903 C ILE A 59 -5.741 0.518 22.041 1.00 0.00 C ATOM 904 O ILE A 59 -4.928 0.222 21.161 1.00 0.00 O ATOM 905 CB ILE A 59 -6.793 2.468 20.612 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.512 3.854 20.656 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.674 1.471 19.817 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.490 4.638 19.337 1.00 0.00 C ATOM 0 H ILE A 59 -4.666 3.109 22.117 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.373 1.844 22.553 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.838 2.596 20.102 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.550 3.699 20.952 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.047 4.463 21.431 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.910 1.893 18.840 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.135 0.533 19.687 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.598 1.285 20.364 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.013 5.585 19.468 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.458 4.831 19.046 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.983 4.055 18.559 1.00 0.00 H new ATOM 920 N GLN A 60 -6.087 -0.329 23.032 1.00 0.00 N ATOM 921 CA GLN A 60 -5.427 -1.645 23.229 1.00 0.00 C ATOM 922 C GLN A 60 -6.222 -2.744 22.467 1.00 0.00 C ATOM 923 O GLN A 60 -7.327 -3.119 22.872 1.00 0.00 O ATOM 924 CB GLN A 60 -5.275 -1.957 24.750 1.00 0.00 C ATOM 925 CG GLN A 60 -3.977 -2.724 25.096 1.00 0.00 C ATOM 926 CD GLN A 60 -3.991 -3.450 26.451 1.00 0.00 C ATOM 927 OE1 GLN A 60 -4.816 -4.328 26.704 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.060 -3.123 27.335 1.00 0.00 N ATOM 0 H GLN A 60 -6.821 -0.128 23.712 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.419 -1.621 22.815 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.294 -1.021 25.308 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.133 -2.543 25.080 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.785 -3.456 24.311 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.144 -2.021 25.086 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.381 -2.394 27.115 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.022 -3.600 28.236 1.00 0.00 H new ATOM 937 N ASN A 61 -5.647 -3.228 21.355 1.00 0.00 N ATOM 938 CA ASN A 61 -6.302 -4.220 20.456 1.00 0.00 C ATOM 939 C ASN A 61 -5.707 -5.631 20.703 1.00 0.00 C ATOM 940 O ASN A 61 -4.504 -5.776 20.940 1.00 0.00 O ATOM 941 CB ASN A 61 -6.118 -3.792 18.973 1.00 0.00 C ATOM 942 CG ASN A 61 -6.822 -2.485 18.551 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.769 -2.019 19.181 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.371 -1.858 17.480 1.00 0.00 N ATOM 0 H ASN A 61 -4.716 -2.950 21.045 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.370 -4.255 20.673 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.051 -3.686 18.776 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.481 -4.598 18.336 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.808 -0.988 17.176 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.585 -2.244 16.956 1.00 0.00 H new ATOM 951 N GLU A 62 -6.564 -6.667 20.645 1.00 0.00 N ATOM 952 CA GLU A 62 -6.160 -8.073 20.909 1.00 0.00 C ATOM 953 C GLU A 62 -6.810 -8.955 19.812 1.00 0.00 C ATOM 954 O GLU A 62 -8.040 -9.025 19.699 1.00 0.00 O ATOM 955 CB GLU A 62 -6.563 -8.482 22.356 1.00 0.00 C ATOM 956 CG GLU A 62 -5.898 -9.756 22.930 1.00 0.00 C ATOM 957 CD GLU A 62 -6.334 -11.090 22.308 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.532 -11.440 22.393 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.476 -11.797 21.732 1.00 0.00 O ATOM 0 H GLU A 62 -7.552 -6.561 20.416 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.079 -8.203 20.859 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.333 -7.649 23.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.644 -8.622 22.381 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.818 -9.661 22.813 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.101 -9.795 24.000 1.00 0.00 H new ATOM 966 N PHE A 63 -5.959 -9.635 19.023 1.00 0.00 N ATOM 967 CA PHE A 63 -6.402 -10.540 17.928 1.00 0.00 C ATOM 968 C PHE A 63 -5.664 -11.912 17.956 1.00 0.00 C ATOM 969 O PHE A 63 -4.771 -12.156 18.771 1.00 0.00 O ATOM 970 CB PHE A 63 -6.351 -9.778 16.565 1.00 0.00 C ATOM 971 CG PHE A 63 -4.964 -9.467 15.964 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.365 -10.384 15.090 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.300 -8.269 16.256 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.129 -10.105 14.519 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.062 -7.995 15.679 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.481 -8.911 14.809 1.00 0.00 C ATOM 0 H PHE A 63 -4.945 -9.578 19.120 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.444 -10.819 18.082 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.909 -10.363 15.834 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.881 -8.834 16.690 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.866 -11.312 14.859 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.749 -7.555 16.931 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.672 -10.818 13.849 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.553 -7.070 15.908 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.524 -8.694 14.358 1.00 0.00 H new ATOM 986 N THR A 64 -6.064 -12.817 17.045 1.00 0.00 N ATOM 987 CA THR A 64 -5.339 -14.090 16.778 1.00 0.00 C ATOM 988 C THR A 64 -5.328 -14.282 15.230 1.00 0.00 C ATOM 989 O THR A 64 -6.363 -14.170 14.565 1.00 0.00 O ATOM 990 CB THR A 64 -5.986 -15.277 17.556 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.987 -14.998 18.953 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.258 -16.622 17.377 1.00 0.00 C ATOM 0 H THR A 64 -6.897 -12.695 16.469 1.00 0.00 H new ATOM 0 HA THR A 64 -4.311 -14.056 17.139 1.00 0.00 H new ATOM 0 HB THR A 64 -6.990 -15.371 17.142 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.396 -15.746 19.436 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.772 -17.393 17.951 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.254 -16.896 16.322 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.231 -16.530 17.731 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.142 -14.590 14.666 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.942 -14.746 13.192 1.00 0.00 C ATOM 1002 C VAL A 65 -4.684 -15.995 12.624 1.00 0.00 C ATOM 1003 O VAL A 65 -4.581 -17.102 13.164 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.435 -14.731 12.759 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.820 -13.321 12.848 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.525 -15.751 13.474 1.00 0.00 C ATOM 0 H VAL A 65 -3.292 -14.739 15.209 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.395 -13.860 12.747 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.472 -15.050 11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.776 -13.359 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.368 -12.643 12.193 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.881 -12.962 13.875 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.506 -15.655 13.099 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.537 -15.560 14.547 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.888 -16.760 13.281 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.465 -15.771 11.554 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.432 -16.772 11.037 1.00 0.00 C ATOM 1018 C GLY A 66 -7.678 -17.103 11.906 1.00 0.00 C ATOM 1019 O GLY A 66 -8.189 -18.222 11.818 1.00 0.00 O ATOM 0 H GLY A 66 -5.450 -14.901 11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.785 -16.424 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.889 -17.701 10.864 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.162 -16.143 12.716 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.342 -16.319 13.603 1.00 0.00 C ATOM 1025 C GLU A 67 -9.979 -14.911 13.796 1.00 0.00 C ATOM 1026 O GLU A 67 -9.278 -13.925 14.060 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.901 -16.983 14.944 1.00 0.00 C ATOM 1028 CG GLU A 67 -10.000 -17.674 15.784 1.00 0.00 C ATOM 1029 CD GLU A 67 -10.958 -16.743 16.534 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -10.510 -16.031 17.459 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -12.164 -16.726 16.205 1.00 0.00 O ATOM 0 H GLU A 67 -7.746 -15.214 12.778 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.088 -16.986 13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.133 -17.723 14.718 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.434 -16.217 15.563 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.588 -18.311 15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.517 -18.327 16.511 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.320 -14.825 13.687 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.068 -13.546 13.859 1.00 0.00 C ATOM 1040 C GLU A 68 -12.008 -13.012 15.321 1.00 0.00 C ATOM 1041 O GLU A 68 -12.295 -13.730 16.283 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.522 -13.632 13.311 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.483 -14.703 13.882 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.112 -14.406 15.250 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.804 -13.375 15.398 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.919 -15.213 16.186 1.00 0.00 O ATOM 0 H GLU A 68 -11.917 -15.626 13.480 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.555 -12.805 13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.988 -12.659 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.458 -13.790 12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.288 -14.855 13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.938 -15.644 13.955 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.589 -11.748 15.452 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.394 -11.080 16.764 1.00 0.00 C ATOM 1055 C CYS A 69 -11.630 -9.555 16.615 1.00 0.00 C ATOM 1056 O CYS A 69 -11.256 -8.933 15.612 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.976 -11.321 17.323 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.722 -13.055 17.817 1.00 0.00 S ATOM 0 H CYS A 69 -11.372 -11.150 14.655 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.113 -11.507 17.463 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.238 -11.047 16.569 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.810 -10.671 18.182 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.726 -13.774 17.411 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.223 -8.958 17.666 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.573 -7.514 17.691 1.00 0.00 C ATOM 1066 C GLU A 70 -11.327 -6.579 17.709 1.00 0.00 C ATOM 1067 O GLU A 70 -10.464 -6.682 18.587 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.574 -7.189 18.833 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.134 -7.510 20.284 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.113 -7.001 21.345 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.199 -7.599 21.506 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -13.796 -6.003 22.029 1.00 0.00 O ATOM 0 H GLU A 70 -12.474 -9.455 18.521 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.078 -7.304 16.748 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.810 -6.126 18.781 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.498 -7.731 18.634 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.023 -8.589 20.391 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.154 -7.069 20.464 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.269 -5.675 16.717 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.233 -4.615 16.642 1.00 0.00 C ATOM 1081 C LEU A 71 -10.948 -3.267 16.897 1.00 0.00 C ATOM 1082 O LEU A 71 -11.809 -2.846 16.121 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.512 -4.609 15.265 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.626 -5.835 14.911 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.009 -5.668 13.511 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.494 -6.079 15.927 1.00 0.00 C ATOM 0 H LEU A 71 -11.934 -5.653 15.944 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.458 -4.794 17.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.271 -4.508 14.489 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.886 -3.718 15.217 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.288 -6.701 14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.392 -6.536 13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.804 -5.581 12.771 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.393 -4.769 13.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.913 -6.949 15.622 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.845 -5.204 15.966 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.922 -6.257 16.913 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.572 -2.593 17.995 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.206 -1.321 18.425 1.00 0.00 C ATOM 1100 C GLU A 72 -10.687 -0.156 17.541 1.00 0.00 C ATOM 1101 O GLU A 72 -9.496 0.170 17.569 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.941 -1.039 19.931 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.650 -1.968 20.941 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.085 -3.389 21.056 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -9.980 -3.561 21.616 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.741 -4.338 20.573 1.00 0.00 O ATOM 0 H GLU A 72 -9.823 -2.907 18.613 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.285 -1.408 18.298 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.867 -1.101 20.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.240 -0.013 20.144 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.609 -1.501 21.925 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.702 -2.038 20.664 1.00 0.00 H new ATOM 1113 N THR A 73 -11.590 0.448 16.746 1.00 0.00 N ATOM 1114 CA THR A 73 -11.221 1.563 15.818 1.00 0.00 C ATOM 1115 C THR A 73 -11.014 2.922 16.565 1.00 0.00 C ATOM 1116 O THR A 73 -11.426 3.105 17.717 1.00 0.00 O ATOM 1117 CB THR A 73 -12.231 1.708 14.636 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.514 2.102 15.110 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.374 0.464 13.742 1.00 0.00 C ATOM 0 H THR A 73 -12.577 0.193 16.719 1.00 0.00 H new ATOM 0 HA THR A 73 -10.258 1.289 15.387 1.00 0.00 H new ATOM 0 HB THR A 73 -11.799 2.484 14.004 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.130 2.188 14.353 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.097 0.665 12.952 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.408 0.222 13.298 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.718 -0.378 14.343 1.00 0.00 H new ATOM 1127 N MET A 74 -10.388 3.884 15.861 1.00 0.00 N ATOM 1128 CA MET A 74 -10.170 5.271 16.366 1.00 0.00 C ATOM 1129 C MET A 74 -11.458 6.090 16.707 1.00 0.00 C ATOM 1130 O MET A 74 -11.442 6.803 17.714 1.00 0.00 O ATOM 1131 CB MET A 74 -9.229 6.045 15.401 1.00 0.00 C ATOM 1132 CG MET A 74 -7.743 5.641 15.482 1.00 0.00 C ATOM 1133 SD MET A 74 -7.472 3.950 14.904 1.00 0.00 S ATOM 1134 CE MET A 74 -6.010 3.481 15.853 1.00 0.00 C ATOM 0 H MET A 74 -10.015 3.731 14.924 1.00 0.00 H new ATOM 0 HA MET A 74 -9.692 5.150 17.338 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.577 5.894 14.379 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.313 7.111 15.612 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.146 6.329 14.883 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.397 5.732 16.512 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.725 2.460 15.601 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.189 4.157 15.614 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.232 3.543 16.918 1.00 0.00 H new ATOM 1144 N THR A 75 -12.565 5.961 15.940 1.00 0.00 N ATOM 1145 CA THR A 75 -13.905 6.492 16.346 1.00 0.00 C ATOM 1146 C THR A 75 -14.514 5.750 17.581 1.00 0.00 C ATOM 1147 O THR A 75 -14.762 6.390 18.607 1.00 0.00 O ATOM 1148 CB THR A 75 -14.924 6.560 15.163 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.140 5.277 14.580 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.545 7.535 14.042 1.00 0.00 C ATOM 0 H THR A 75 -12.566 5.494 15.033 1.00 0.00 H new ATOM 0 HA THR A 75 -13.713 7.519 16.658 1.00 0.00 H new ATOM 0 HB THR A 75 -15.835 6.935 15.630 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.783 5.356 13.845 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.311 7.513 13.267 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.468 8.544 14.448 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.586 7.242 13.614 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.751 4.429 17.469 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.374 3.618 18.537 1.00 0.00 C ATOM 1160 C GLY A 76 -16.262 2.517 17.930 1.00 0.00 C ATOM 1161 O GLY A 76 -17.490 2.638 17.944 1.00 0.00 O ATOM 0 H GLY A 76 -14.516 3.892 16.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.600 3.168 19.158 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.971 4.258 19.186 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.626 1.461 17.394 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.324 0.327 16.732 1.00 0.00 C ATOM 1167 C GLU A 77 -15.544 -0.944 17.145 1.00 0.00 C ATOM 1168 O GLU A 77 -14.356 -1.072 16.824 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.351 0.435 15.179 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.061 1.670 14.584 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.947 1.721 13.058 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.668 0.962 12.374 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -16.132 2.513 12.536 1.00 0.00 O ATOM 0 H GLU A 77 -14.611 1.362 17.404 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.368 0.315 17.044 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.322 0.427 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.834 -0.459 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.113 1.654 14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.629 2.576 15.010 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.208 -1.883 17.844 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.547 -3.128 18.334 1.00 0.00 C ATOM 1182 C LYS A 78 -15.876 -4.272 17.336 1.00 0.00 C ATOM 1183 O LYS A 78 -16.879 -4.981 17.461 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.926 -3.446 19.807 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.657 -2.287 20.797 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.295 -2.720 22.232 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.872 -1.544 23.134 1.00 0.00 C ATOM 1188 NZ LYS A 78 -16.009 -0.708 23.566 1.00 0.00 N ATOM 0 H LYS A 78 -17.196 -1.813 18.086 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.465 -2.999 18.362 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.983 -3.707 19.850 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.368 -4.324 20.132 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.845 -1.675 20.403 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.543 -1.653 20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.152 -3.223 22.680 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.484 -3.448 22.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.361 -1.934 24.014 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.155 -0.922 22.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.662 0.065 24.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.484 -0.309 22.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.683 -1.290 24.103 1.00 0.00 H new ATOM 1202 N VAL A 79 -15.037 -4.361 16.291 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.435 -4.905 14.967 1.00 0.00 C ATOM 1204 C VAL A 79 -14.624 -6.198 14.677 1.00 0.00 C ATOM 1205 O VAL A 79 -13.403 -6.148 14.493 1.00 0.00 O ATOM 1206 CB VAL A 79 -15.315 -3.766 13.892 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.985 -2.979 13.840 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.651 -4.234 12.464 1.00 0.00 C ATOM 0 H VAL A 79 -14.063 -4.060 16.332 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.479 -5.217 14.943 1.00 0.00 H new ATOM 0 HB VAL A 79 -16.070 -3.072 14.261 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.039 -2.225 13.055 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.813 -2.492 14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.164 -3.665 13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.548 -3.397 11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.968 -5.032 12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.676 -4.605 12.434 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.327 -7.349 14.609 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.702 -8.674 14.363 1.00 0.00 C ATOM 1220 C LYS A 80 -14.209 -8.814 12.897 1.00 0.00 C ATOM 1221 O LYS A 80 -14.966 -8.621 11.940 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.609 -9.839 14.850 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.976 -10.087 14.159 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.952 -11.088 12.979 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.314 -11.334 12.299 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.273 -12.061 13.153 1.00 0.00 N ATOM 0 H LYS A 80 -16.340 -7.390 14.722 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.801 -8.743 14.973 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.030 -10.759 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.804 -9.679 15.910 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.681 -10.450 14.907 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.359 -9.133 13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.250 -10.724 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.567 -12.042 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.747 -10.376 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.156 -11.899 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.166 -12.193 12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.878 -12.989 13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.451 -11.513 14.019 1.00 0.00 H new ATOM 1240 N THR A 81 -12.908 -9.101 12.759 1.00 0.00 N ATOM 1241 CA THR A 81 -12.222 -9.195 11.440 1.00 0.00 C ATOM 1242 C THR A 81 -11.001 -10.160 11.551 1.00 0.00 C ATOM 1243 O THR A 81 -10.261 -10.167 12.541 1.00 0.00 O ATOM 1244 CB THR A 81 -11.884 -7.791 10.837 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.295 -7.951 9.550 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.967 -6.880 11.671 1.00 0.00 C ATOM 0 H THR A 81 -12.291 -9.277 13.552 1.00 0.00 H new ATOM 0 HA THR A 81 -12.907 -9.630 10.713 1.00 0.00 H new ATOM 0 HB THR A 81 -12.848 -7.284 10.808 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.488 -7.162 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.811 -5.939 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.432 -6.681 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.007 -7.373 11.825 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.800 -10.960 10.485 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.720 -11.986 10.410 1.00 0.00 C ATOM 1256 C VAL A 82 -8.423 -11.290 9.887 1.00 0.00 C ATOM 1257 O VAL A 82 -8.423 -10.694 8.803 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.139 -13.196 9.500 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.093 -14.332 9.525 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.506 -13.838 9.843 1.00 0.00 C ATOM 0 H VAL A 82 -11.379 -10.919 9.646 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.536 -12.402 11.400 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.213 -12.738 8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.425 -15.147 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.136 -13.953 9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.978 -14.699 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.703 -14.663 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.485 -14.213 10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.294 -13.091 9.746 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.327 -11.400 10.660 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.020 -10.765 10.315 1.00 0.00 C ATOM 1272 C VAL A 83 -5.105 -11.883 9.730 1.00 0.00 C ATOM 1273 O VAL A 83 -4.769 -12.837 10.440 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.356 -10.050 11.544 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.105 -9.237 11.127 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.296 -9.124 12.356 1.00 0.00 C ATOM 0 H VAL A 83 -7.311 -11.924 11.535 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.175 -9.975 9.580 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.080 -10.877 12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.674 -8.757 12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.369 -9.905 10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.391 -8.476 10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.743 -8.678 13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.678 -8.335 11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.129 -9.706 12.749 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.680 -11.746 8.459 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.751 -12.709 7.815 1.00 0.00 C ATOM 1288 C GLN A 84 -2.303 -12.153 7.889 1.00 0.00 C ATOM 1289 O GLN A 84 -2.021 -11.035 7.446 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.184 -12.964 6.341 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.189 -14.117 6.110 1.00 0.00 C ATOM 1292 CD GLN A 84 -6.654 -13.878 6.522 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -7.108 -12.764 6.788 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -7.439 -14.943 6.554 1.00 0.00 N ATOM 0 H GLN A 84 -4.964 -10.977 7.852 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.784 -13.663 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.622 -12.046 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.289 -13.167 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.175 -14.368 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.827 -14.992 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.059 -15.863 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.424 -14.843 6.800 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.383 -12.980 8.420 1.00 0.00 N ATOM 1304 CA LEU A 85 0.070 -12.673 8.437 1.00 0.00 C ATOM 1305 C LEU A 85 0.736 -13.252 7.159 1.00 0.00 C ATOM 1306 O LEU A 85 0.657 -14.452 6.879 1.00 0.00 O ATOM 1307 CB LEU A 85 0.692 -13.204 9.756 1.00 0.00 C ATOM 1308 CG LEU A 85 2.222 -13.020 9.960 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.718 -11.583 9.716 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.631 -13.482 11.370 1.00 0.00 C ATOM 0 H LEU A 85 -1.618 -13.875 8.848 1.00 0.00 H new ATOM 0 HA LEU A 85 0.244 -11.597 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.182 -12.717 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.470 -14.269 9.826 1.00 0.00 H new ATOM 0 HG LEU A 85 2.701 -13.642 9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.795 -11.537 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.493 -11.290 8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.218 -10.903 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.705 -13.348 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.099 -12.891 12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.379 -14.535 11.495 1.00 0.00 H new ATOM 1322 N GLU A 86 1.390 -12.352 6.407 1.00 0.00 N ATOM 1323 CA GLU A 86 2.012 -12.662 5.096 1.00 0.00 C ATOM 1324 C GLU A 86 3.526 -12.337 5.153 1.00 0.00 C ATOM 1325 O GLU A 86 3.940 -11.241 5.547 1.00 0.00 O ATOM 1326 CB GLU A 86 1.315 -11.868 3.958 1.00 0.00 C ATOM 1327 CG GLU A 86 -0.109 -12.369 3.641 1.00 0.00 C ATOM 1328 CD GLU A 86 -0.777 -11.613 2.490 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -1.260 -10.481 2.709 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.827 -12.151 1.362 1.00 0.00 O ATOM 0 H GLU A 86 1.507 -11.379 6.689 1.00 0.00 H new ATOM 0 HA GLU A 86 1.888 -13.724 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.268 -10.815 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.923 -11.932 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.066 -13.430 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.726 -12.275 4.534 1.00 0.00 H new ATOM 1337 N GLY A 87 4.342 -13.327 4.754 1.00 0.00 N ATOM 1338 CA GLY A 87 5.824 -13.218 4.783 1.00 0.00 C ATOM 1339 C GLY A 87 6.569 -13.120 6.145 1.00 0.00 C ATOM 1340 O GLY A 87 7.743 -12.743 6.138 1.00 0.00 O ATOM 0 H GLY A 87 4.003 -14.223 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.223 -14.085 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.096 -12.338 4.200 1.00 0.00 H new ATOM 1344 N ASP A 88 5.912 -13.438 7.283 1.00 0.00 N ATOM 1345 CA ASP A 88 6.455 -13.248 8.663 1.00 0.00 C ATOM 1346 C ASP A 88 6.423 -11.785 9.223 1.00 0.00 C ATOM 1347 O ASP A 88 6.504 -11.618 10.444 1.00 0.00 O ATOM 1348 CB ASP A 88 7.802 -13.994 8.920 1.00 0.00 C ATOM 1349 CG ASP A 88 8.139 -14.272 10.393 1.00 0.00 C ATOM 1350 OD1 ASP A 88 7.489 -15.145 11.008 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.052 -13.615 10.940 1.00 0.00 O ATOM 0 H ASP A 88 4.975 -13.841 7.277 1.00 0.00 H new ATOM 0 HA ASP A 88 5.715 -13.756 9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.777 -14.944 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.611 -13.406 8.486 1.00 0.00 H new ATOM 1356 N ASN A 89 6.296 -10.742 8.374 1.00 0.00 N ATOM 1357 CA ASN A 89 6.331 -9.319 8.807 1.00 0.00 C ATOM 1358 C ASN A 89 5.390 -8.358 8.006 1.00 0.00 C ATOM 1359 O ASN A 89 5.792 -7.236 7.680 1.00 0.00 O ATOM 1360 CB ASN A 89 7.809 -8.848 8.930 1.00 0.00 C ATOM 1361 CG ASN A 89 8.679 -8.697 7.662 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.296 -9.029 6.540 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.884 -8.178 7.843 1.00 0.00 N ATOM 0 H ASN A 89 6.166 -10.858 7.369 1.00 0.00 H new ATOM 0 HA ASN A 89 5.885 -9.264 9.800 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.801 -7.882 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.319 -9.549 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.508 -8.049 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.188 -7.908 8.778 1.00 0.00 H new ATOM 1370 N LYS A 90 4.123 -8.755 7.741 1.00 0.00 N ATOM 1371 CA LYS A 90 3.108 -7.879 7.090 1.00 0.00 C ATOM 1372 C LYS A 90 1.685 -8.385 7.466 1.00 0.00 C ATOM 1373 O LYS A 90 1.266 -9.461 7.034 1.00 0.00 O ATOM 1374 CB LYS A 90 3.341 -7.800 5.554 1.00 0.00 C ATOM 1375 CG LYS A 90 2.432 -6.810 4.778 1.00 0.00 C ATOM 1376 CD LYS A 90 1.350 -7.479 3.901 1.00 0.00 C ATOM 1377 CE LYS A 90 1.844 -8.158 2.605 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.290 -7.192 1.582 1.00 0.00 N ATOM 0 H LYS A 90 3.773 -9.685 7.969 1.00 0.00 H new ATOM 0 HA LYS A 90 3.207 -6.857 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.380 -7.522 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.202 -8.796 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.943 -6.150 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.059 -6.184 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.835 -8.227 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.612 -6.723 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.667 -8.831 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.042 -8.770 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.610 -7.705 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.500 -6.565 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.075 -6.624 1.960 1.00 0.00 H new ATOM 1392 N LEU A 91 0.940 -7.581 8.245 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.430 -7.929 8.723 1.00 0.00 C ATOM 1394 C LEU A 91 -1.483 -7.135 7.901 1.00 0.00 C ATOM 1395 O LEU A 91 -1.454 -5.901 7.874 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.580 -7.576 10.230 1.00 0.00 C ATOM 1397 CG LEU A 91 0.314 -8.353 11.237 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.515 -7.542 12.531 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.232 -9.760 11.544 1.00 0.00 C ATOM 0 H LEU A 91 1.262 -6.668 8.567 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.589 -8.999 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.376 -6.512 10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.621 -7.734 10.511 1.00 0.00 H new ATOM 0 HG LEU A 91 1.285 -8.490 10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.144 -8.106 13.220 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.996 -6.593 12.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.453 -7.352 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.429 -10.260 12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.230 -9.677 11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.282 -10.340 10.622 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.422 -7.852 7.264 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.505 -7.252 6.433 1.00 0.00 C ATOM 1413 C VAL A 92 -4.864 -7.390 7.179 1.00 0.00 C ATOM 1414 O VAL A 92 -5.246 -8.500 7.571 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.555 -7.877 4.997 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.370 -7.421 4.121 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -3.696 -9.414 4.897 1.00 0.00 C ATOM 0 H VAL A 92 -2.461 -8.870 7.304 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.292 -6.193 6.290 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.497 -7.479 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.448 -7.880 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.390 -6.336 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.434 -7.724 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.718 -9.710 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.849 -9.890 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.621 -9.727 5.381 1.00 0.00 H new ATOM 1427 N THR A 93 -5.598 -6.270 7.361 1.00 0.00 N ATOM 1428 CA THR A 93 -6.927 -6.291 8.039 1.00 0.00 C ATOM 1429 C THR A 93 -7.781 -5.052 7.652 1.00 0.00 C ATOM 1430 O THR A 93 -7.500 -3.917 8.045 1.00 0.00 O ATOM 1431 CB THR A 93 -6.821 -6.501 9.580 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.121 -6.676 10.131 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.082 -5.422 10.394 1.00 0.00 C ATOM 0 H THR A 93 -5.302 -5.344 7.053 1.00 0.00 H new ATOM 0 HA THR A 93 -7.457 -7.169 7.669 1.00 0.00 H new ATOM 0 HB THR A 93 -6.195 -7.389 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.357 -5.891 10.668 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.085 -5.697 11.449 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.053 -5.342 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.584 -4.463 10.268 1.00 0.00 H new ATOM 1441 N THR A 94 -8.877 -5.327 6.933 1.00 0.00 N ATOM 1442 CA THR A 94 -9.939 -4.342 6.613 1.00 0.00 C ATOM 1443 C THR A 94 -11.147 -4.597 7.554 1.00 0.00 C ATOM 1444 O THR A 94 -11.689 -5.707 7.609 1.00 0.00 O ATOM 1445 CB THR A 94 -10.286 -4.370 5.098 1.00 0.00 C ATOM 1446 OG1 THR A 94 -11.312 -3.423 4.816 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.696 -5.741 4.525 1.00 0.00 C ATOM 0 H THR A 94 -9.061 -6.253 6.547 1.00 0.00 H new ATOM 0 HA THR A 94 -9.596 -3.324 6.797 1.00 0.00 H new ATOM 0 HB THR A 94 -9.350 -4.116 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.524 -3.445 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.915 -5.640 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.881 -6.451 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.583 -6.102 5.045 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.551 -3.550 8.290 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.619 -3.657 9.327 1.00 0.00 C ATOM 1457 C PHE A 95 -14.014 -3.423 8.677 1.00 0.00 C ATOM 1458 O PHE A 95 -14.737 -4.392 8.427 1.00 0.00 O ATOM 1459 CB PHE A 95 -12.377 -2.850 10.649 1.00 0.00 C ATOM 1460 CG PHE A 95 -11.004 -2.217 10.953 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.685 -0.966 10.417 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -10.090 -2.853 11.798 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.470 -0.357 10.723 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.876 -2.242 12.107 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.569 -0.994 11.572 1.00 0.00 C ATOM 0 H PHE A 95 -11.160 -2.613 8.195 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.583 -4.680 9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -13.112 -2.045 10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.611 -3.518 11.478 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.385 -0.469 9.762 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.325 -3.822 12.213 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.227 0.608 10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.174 -2.737 12.761 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.630 -0.519 11.816 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.353 -2.157 8.359 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.531 -1.800 7.530 1.00 0.00 C ATOM 1477 C LYS A 96 -15.026 -1.616 6.067 1.00 0.00 C ATOM 1478 O LYS A 96 -15.047 -2.589 5.306 1.00 0.00 O ATOM 1479 CB LYS A 96 -16.256 -0.616 8.216 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.563 -0.193 7.514 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.321 0.902 8.281 1.00 0.00 C ATOM 1482 CE LYS A 96 -19.225 0.373 9.412 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.916 1.473 10.108 1.00 0.00 N ATOM 0 H LYS A 96 -13.817 -1.347 8.670 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.304 -2.564 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.481 -0.888 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.581 0.239 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.332 0.165 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.208 -1.064 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.598 1.599 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.932 1.466 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.961 -0.317 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.625 -0.191 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.904 1.203 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.439 1.666 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.894 2.327 9.515 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.531 -0.417 5.695 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.705 -0.227 4.468 1.00 0.00 C ATOM 1499 C ASN A 97 -12.474 0.665 4.821 1.00 0.00 C ATOM 1500 O ASN A 97 -12.333 1.787 4.319 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.550 0.336 3.285 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.637 -0.607 2.728 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.340 -1.643 2.133 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -16.907 -0.277 2.910 1.00 0.00 N ATOM 0 H ASN A 97 -14.686 0.441 6.224 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.337 -1.192 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.029 1.259 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.873 0.599 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.647 -0.883 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.145 0.583 3.404 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.572 0.150 5.688 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.300 0.828 6.047 1.00 0.00 C ATOM 1513 C ILE A 98 -9.257 -0.326 6.119 1.00 0.00 C ATOM 1514 O ILE A 98 -9.116 -0.966 7.168 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.343 1.679 7.373 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.487 2.732 7.496 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.993 2.398 7.602 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.769 2.215 8.172 1.00 0.00 C ATOM 0 H ILE A 98 -11.703 -0.745 6.159 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.054 1.586 5.303 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.551 0.931 8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -11.115 3.588 8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.739 3.093 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.042 2.980 8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.196 1.659 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.788 3.062 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.507 3.016 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.171 1.380 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.538 1.883 9.184 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.503 -0.558 5.023 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.441 -1.597 4.995 1.00 0.00 C ATOM 1532 C LYS A 99 -6.173 -1.087 5.732 1.00 0.00 C ATOM 1533 O LYS A 99 -5.630 -0.022 5.424 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.127 -2.070 3.553 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.335 -3.401 3.524 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.959 -3.859 2.108 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.221 -5.210 2.106 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.832 -5.613 0.744 1.00 0.00 N ATOM 0 H LYS A 99 -8.606 -0.044 4.148 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.811 -2.474 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.060 -2.194 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.554 -1.299 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.425 -3.286 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.930 -4.179 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.862 -3.940 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.329 -3.103 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.332 -5.141 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.861 -5.976 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.337 -6.527 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.683 -5.703 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.201 -4.894 0.336 1.00 0.00 H new ATOM 1552 N SER A 100 -5.750 -1.887 6.717 1.00 0.00 N ATOM 1553 CA SER A 100 -4.689 -1.513 7.684 1.00 0.00 C ATOM 1554 C SER A 100 -3.492 -2.460 7.445 1.00 0.00 C ATOM 1555 O SER A 100 -3.486 -3.608 7.907 1.00 0.00 O ATOM 1556 CB SER A 100 -5.248 -1.607 9.123 1.00 0.00 C ATOM 1557 OG SER A 100 -6.311 -0.682 9.316 1.00 0.00 O ATOM 0 H SER A 100 -6.131 -2.820 6.874 1.00 0.00 H new ATOM 0 HA SER A 100 -4.354 -0.485 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.603 -2.620 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.452 -1.407 9.840 1.00 0.00 H new ATOM 0 HG SER A 100 -6.060 -0.034 10.007 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.494 -1.967 6.687 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.319 -2.782 6.268 1.00 0.00 C ATOM 1565 C VAL A 101 -0.169 -2.406 7.239 1.00 0.00 C ATOM 1566 O VAL A 101 0.532 -1.408 7.044 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.972 -2.581 4.754 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.286 -3.369 4.307 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.140 -3.000 3.836 1.00 0.00 C ATOM 0 H VAL A 101 -2.471 -1.006 6.347 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.522 -3.851 6.337 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.776 -1.513 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.472 -3.187 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.147 -3.040 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.124 -4.435 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.858 -2.845 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.369 -4.053 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.019 -2.398 4.068 1.00 0.00 H new ATOM 1579 N THR A 102 -0.004 -3.240 8.276 1.00 0.00 N ATOM 1580 CA THR A 102 1.000 -3.017 9.353 1.00 0.00 C ATOM 1581 C THR A 102 2.263 -3.844 8.983 1.00 0.00 C ATOM 1582 O THR A 102 2.356 -5.029 9.316 1.00 0.00 O ATOM 1583 CB THR A 102 0.381 -3.374 10.740 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.824 -2.650 10.965 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.304 -3.083 11.933 1.00 0.00 C ATOM 0 H THR A 102 -0.556 -4.089 8.401 1.00 0.00 H new ATOM 0 HA THR A 102 1.297 -1.971 9.436 1.00 0.00 H new ATOM 0 HB THR A 102 0.206 -4.449 10.687 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.193 -2.893 11.840 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.800 -3.359 12.859 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.222 -3.663 11.833 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.547 -2.021 11.955 1.00 0.00 H new ATOM 1593 N GLU A 103 3.211 -3.204 8.271 1.00 0.00 N ATOM 1594 CA GLU A 103 4.425 -3.876 7.744 1.00 0.00 C ATOM 1595 C GLU A 103 5.652 -3.394 8.555 1.00 0.00 C ATOM 1596 O GLU A 103 5.970 -2.201 8.582 1.00 0.00 O ATOM 1597 CB GLU A 103 4.558 -3.582 6.227 1.00 0.00 C ATOM 1598 CG GLU A 103 5.670 -4.385 5.516 1.00 0.00 C ATOM 1599 CD GLU A 103 5.741 -4.097 4.016 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.290 -3.041 3.631 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.249 -4.922 3.216 1.00 0.00 O ATOM 0 H GLU A 103 3.162 -2.211 8.043 1.00 0.00 H new ATOM 0 HA GLU A 103 4.356 -4.958 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.605 -3.797 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.752 -2.518 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.631 -4.149 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.497 -5.450 5.669 1.00 0.00 H new ATOM 1608 N LEU A 104 6.359 -4.355 9.171 1.00 0.00 N ATOM 1609 CA LEU A 104 7.614 -4.084 9.914 1.00 0.00 C ATOM 1610 C LEU A 104 8.789 -4.160 8.903 1.00 0.00 C ATOM 1611 O LEU A 104 9.104 -5.239 8.391 1.00 0.00 O ATOM 1612 CB LEU A 104 7.722 -5.104 11.081 1.00 0.00 C ATOM 1613 CG LEU A 104 8.666 -4.763 12.264 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.572 -5.886 13.312 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.142 -4.539 11.892 1.00 0.00 C ATOM 0 H LEU A 104 6.085 -5.337 9.172 1.00 0.00 H new ATOM 0 HA LEU A 104 7.636 -3.091 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.721 -5.255 11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.043 -6.057 10.662 1.00 0.00 H new ATOM 0 HG LEU A 104 8.320 -3.804 12.650 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.231 -5.658 14.149 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.545 -5.965 13.670 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.873 -6.831 12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.713 -4.307 12.791 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.542 -5.442 11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.218 -3.709 11.190 1.00 0.00 H new ATOM 1627 N ASN A 105 9.412 -3.002 8.616 1.00 0.00 N ATOM 1628 CA ASN A 105 10.514 -2.905 7.619 1.00 0.00 C ATOM 1629 C ASN A 105 11.881 -2.840 8.362 1.00 0.00 C ATOM 1630 O ASN A 105 12.477 -1.766 8.503 1.00 0.00 O ATOM 1631 CB ASN A 105 10.281 -1.693 6.671 1.00 0.00 C ATOM 1632 CG ASN A 105 9.088 -1.814 5.699 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.212 -2.327 4.587 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.919 -1.345 6.102 1.00 0.00 N ATOM 0 H ASN A 105 9.176 -2.114 9.058 1.00 0.00 H new ATOM 0 HA ASN A 105 10.528 -3.793 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.138 -0.802 7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.187 -1.536 6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.106 -1.406 5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.830 -0.922 7.026 1.00 0.00 H new ATOM 1641 N GLY A 106 12.363 -4.007 8.841 1.00 0.00 N ATOM 1642 CA GLY A 106 13.640 -4.104 9.591 1.00 0.00 C ATOM 1643 C GLY A 106 13.484 -3.782 11.091 1.00 0.00 C ATOM 1644 O GLY A 106 13.337 -4.685 11.917 1.00 0.00 O ATOM 0 H GLY A 106 11.886 -4.901 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.044 -5.110 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.366 -3.420 9.152 1.00 0.00 H new ATOM 1648 N ASP A 107 13.496 -2.477 11.399 1.00 0.00 N ATOM 1649 CA ASP A 107 13.064 -1.927 12.716 1.00 0.00 C ATOM 1650 C ASP A 107 11.768 -1.064 12.595 1.00 0.00 C ATOM 1651 O ASP A 107 10.870 -1.213 13.428 1.00 0.00 O ATOM 1652 CB ASP A 107 14.216 -1.110 13.363 1.00 0.00 C ATOM 1653 CG ASP A 107 15.358 -1.959 13.939 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.253 -2.401 15.105 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.358 -2.192 13.225 1.00 0.00 O ATOM 0 H ASP A 107 13.806 -1.759 10.744 1.00 0.00 H new ATOM 0 HA ASP A 107 12.824 -2.771 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.627 -0.432 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.802 -0.493 14.160 1.00 0.00 H new ATOM 1660 N ILE A 108 11.671 -0.151 11.600 1.00 0.00 N ATOM 1661 CA ILE A 108 10.619 0.900 11.540 1.00 0.00 C ATOM 1662 C ILE A 108 9.290 0.264 11.023 1.00 0.00 C ATOM 1663 O ILE A 108 9.218 -0.231 9.895 1.00 0.00 O ATOM 1664 CB ILE A 108 11.101 2.126 10.679 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.415 2.811 11.192 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.011 3.221 10.569 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.719 2.246 10.605 1.00 0.00 C ATOM 0 H ILE A 108 12.320 -0.120 10.813 1.00 0.00 H new ATOM 0 HA ILE A 108 10.426 1.298 12.536 1.00 0.00 H new ATOM 0 HB ILE A 108 11.310 1.684 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.364 3.876 10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.454 2.719 12.277 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.386 4.048 9.966 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.121 2.803 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.758 3.583 11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.569 2.786 11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.802 1.188 10.855 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.711 2.363 9.521 1.00 0.00 H new ATOM 1679 N ILE A 109 8.248 0.321 11.871 1.00 0.00 N ATOM 1680 CA ILE A 109 6.909 -0.256 11.579 1.00 0.00 C ATOM 1681 C ILE A 109 5.979 0.839 10.973 1.00 0.00 C ATOM 1682 O ILE A 109 5.790 1.909 11.557 1.00 0.00 O ATOM 1683 CB ILE A 109 6.345 -0.981 12.850 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.145 -1.901 12.487 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.026 -0.040 14.042 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.577 -2.695 13.665 1.00 0.00 C ATOM 0 H ILE A 109 8.304 0.770 12.785 1.00 0.00 H new ATOM 0 HA ILE A 109 6.978 -1.031 10.816 1.00 0.00 H new ATOM 0 HB ILE A 109 7.158 -1.609 13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.350 -1.289 12.060 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.460 -2.600 11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.641 -0.627 14.876 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.935 0.477 14.351 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.278 0.692 13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.744 -3.309 13.322 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.354 -3.337 14.080 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.227 -2.006 14.433 1.00 0.00 H new ATOM 1698 N THR A 110 5.409 0.542 9.796 1.00 0.00 N ATOM 1699 CA THR A 110 4.622 1.516 8.998 1.00 0.00 C ATOM 1700 C THR A 110 3.184 0.943 8.854 1.00 0.00 C ATOM 1701 O THR A 110 2.984 -0.043 8.136 1.00 0.00 O ATOM 1702 CB THR A 110 5.345 1.754 7.638 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.666 2.245 7.864 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.645 2.775 6.727 1.00 0.00 C ATOM 0 H THR A 110 5.476 -0.379 9.363 1.00 0.00 H new ATOM 0 HA THR A 110 4.545 2.492 9.477 1.00 0.00 H new ATOM 0 HB THR A 110 5.338 0.784 7.141 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.113 2.390 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.210 2.884 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.637 2.428 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.591 3.738 7.234 1.00 0.00 H new ATOM 1712 N ASN A 111 2.195 1.576 9.520 1.00 0.00 N ATOM 1713 CA ASN A 111 0.765 1.184 9.395 1.00 0.00 C ATOM 1714 C ASN A 111 0.074 2.183 8.432 1.00 0.00 C ATOM 1715 O ASN A 111 -0.209 3.332 8.786 1.00 0.00 O ATOM 1716 CB ASN A 111 0.120 1.037 10.806 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.417 0.900 10.907 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -2.067 1.618 11.664 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -2.032 -0.011 10.168 1.00 0.00 N ATOM 0 H ASN A 111 2.355 2.361 10.151 1.00 0.00 H new ATOM 0 HA ASN A 111 0.642 0.197 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.562 0.162 11.283 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.414 1.905 11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.045 -0.117 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.493 -0.607 9.540 1.00 0.00 H new ATOM 1726 N THR A 112 -0.205 1.689 7.214 1.00 0.00 N ATOM 1727 CA THR A 112 -0.874 2.469 6.148 1.00 0.00 C ATOM 1728 C THR A 112 -2.398 2.162 6.223 1.00 0.00 C ATOM 1729 O THR A 112 -2.871 1.163 5.672 1.00 0.00 O ATOM 1730 CB THR A 112 -0.208 2.140 4.779 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.185 2.441 4.823 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.794 2.943 3.609 1.00 0.00 C ATOM 0 H THR A 112 0.026 0.735 6.936 1.00 0.00 H new ATOM 0 HA THR A 112 -0.759 3.545 6.276 1.00 0.00 H new ATOM 0 HB THR A 112 -0.396 1.079 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.593 2.229 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.285 2.665 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.858 2.727 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.655 4.008 3.793 1.00 0.00 H new ATOM 1740 N MET A 113 -3.143 3.049 6.910 1.00 0.00 N ATOM 1741 CA MET A 113 -4.623 2.973 6.995 1.00 0.00 C ATOM 1742 C MET A 113 -5.225 3.867 5.887 1.00 0.00 C ATOM 1743 O MET A 113 -5.150 5.098 5.950 1.00 0.00 O ATOM 1744 CB MET A 113 -5.142 3.383 8.395 1.00 0.00 C ATOM 1745 CG MET A 113 -4.826 2.388 9.515 1.00 0.00 C ATOM 1746 SD MET A 113 -6.339 2.083 10.449 1.00 0.00 S ATOM 1747 CE MET A 113 -5.752 2.386 12.111 1.00 0.00 C ATOM 0 H MET A 113 -2.743 3.836 7.421 1.00 0.00 H new ATOM 0 HA MET A 113 -4.938 1.940 6.845 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.714 4.351 8.657 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.222 3.517 8.341 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.443 1.456 9.098 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.050 2.787 10.169 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.503 2.054 12.828 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.825 1.836 12.275 1.00 0.00 H new ATOM 0 HE3 MET A 113 -5.570 3.452 12.244 1.00 0.00 H new ATOM 1757 N THR A 114 -5.810 3.218 4.868 1.00 0.00 N ATOM 1758 CA THR A 114 -6.400 3.916 3.699 1.00 0.00 C ATOM 1759 C THR A 114 -7.944 3.824 3.834 1.00 0.00 C ATOM 1760 O THR A 114 -8.533 2.747 3.700 1.00 0.00 O ATOM 1761 CB THR A 114 -5.858 3.315 2.372 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.436 3.400 2.343 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.381 4.022 1.106 1.00 0.00 C ATOM 0 H THR A 114 -5.891 2.202 4.824 1.00 0.00 H new ATOM 0 HA THR A 114 -6.115 4.968 3.675 1.00 0.00 H new ATOM 0 HB THR A 114 -6.211 2.284 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.102 3.018 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.958 3.545 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.468 3.950 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.087 5.071 1.128 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.574 4.988 4.053 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.057 5.136 4.057 1.00 0.00 C ATOM 1773 C LEU A 115 -10.662 5.010 2.624 1.00 0.00 C ATOM 1774 O LEU A 115 -11.461 4.102 2.377 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.398 6.464 4.803 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.893 6.869 4.935 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.744 5.834 5.697 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -12.015 8.252 5.604 1.00 0.00 C ATOM 0 H LEU A 115 -8.078 5.861 4.234 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.532 4.317 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.981 6.398 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.877 7.275 4.294 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.290 6.911 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.776 6.181 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.710 4.878 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.349 5.710 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.067 8.523 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.567 8.217 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.497 8.996 4.999 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.262 5.905 1.707 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.672 5.862 0.290 1.00 0.00 C ATOM 1792 C GLY A 116 -9.621 6.609 -0.548 1.00 0.00 C ATOM 1793 O GLY A 116 -8.721 5.982 -1.114 1.00 0.00 O ATOM 0 H GLY A 116 -9.641 6.684 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.760 4.829 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.652 6.323 0.166 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.722 7.949 -0.573 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.648 8.836 -1.112 1.00 0.00 C ATOM 1799 C ASP A 117 -7.467 9.105 -0.121 1.00 0.00 C ATOM 1800 O ASP A 117 -6.331 9.256 -0.581 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.245 10.191 -1.590 1.00 0.00 C ATOM 1802 CG ASP A 117 -10.212 10.108 -2.781 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -9.745 9.942 -3.930 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -11.441 10.210 -2.572 1.00 0.00 O ATOM 0 H ASP A 117 -10.537 8.455 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.222 8.287 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.768 10.653 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.423 10.855 -1.858 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.719 9.199 1.206 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.714 9.640 2.213 1.00 0.00 C ATOM 1811 C ILE A 118 -5.850 8.405 2.615 1.00 0.00 C ATOM 1812 O ILE A 118 -6.373 7.411 3.129 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.430 10.326 3.435 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.229 11.610 3.038 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.434 10.688 4.568 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.294 12.060 4.050 1.00 0.00 C ATOM 0 H ILE A 118 -8.626 8.971 1.613 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.047 10.395 1.798 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.137 9.580 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.522 12.427 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.715 11.433 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.973 11.159 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.946 9.782 4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.682 11.378 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.790 12.958 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.030 11.266 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.819 12.276 5.007 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.527 8.518 2.397 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.549 7.438 2.709 1.00 0.00 C ATOM 1830 C VAL A 119 -2.767 7.911 3.975 1.00 0.00 C ATOM 1831 O VAL A 119 -1.820 8.700 3.874 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.645 7.121 1.464 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.604 6.014 1.749 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.436 6.698 0.200 1.00 0.00 C ATOM 0 H VAL A 119 -4.098 9.355 2.001 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.033 6.486 2.929 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.147 8.071 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.007 5.836 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.952 6.329 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.118 5.095 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.740 6.497 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.012 5.798 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.113 7.501 -0.091 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.175 7.408 5.156 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.522 7.730 6.453 1.00 0.00 C ATOM 1846 C PHE A 120 -1.383 6.709 6.740 1.00 0.00 C ATOM 1847 O PHE A 120 -1.613 5.633 7.295 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.605 7.772 7.572 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.158 7.943 9.046 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.048 8.722 9.409 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.882 7.287 10.048 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -1.674 8.840 10.742 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.505 7.408 11.382 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.399 8.180 11.727 1.00 0.00 C ATOM 0 H PHE A 120 -3.964 6.768 5.245 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.054 8.714 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.287 8.589 7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.180 6.848 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.480 9.234 8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.738 6.684 9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -0.821 9.444 11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.071 6.903 12.151 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.104 8.266 12.762 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.152 7.111 6.400 1.00 0.00 N ATOM 1865 CA LYS A 121 1.079 6.319 6.644 1.00 0.00 C ATOM 1866 C LYS A 121 1.713 6.788 7.989 1.00 0.00 C ATOM 1867 O LYS A 121 2.391 7.821 8.031 1.00 0.00 O ATOM 1868 CB LYS A 121 1.980 6.543 5.395 1.00 0.00 C ATOM 1869 CG LYS A 121 3.300 5.747 5.353 1.00 0.00 C ATOM 1870 CD LYS A 121 4.259 6.149 4.207 1.00 0.00 C ATOM 1871 CE LYS A 121 3.765 5.936 2.759 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.509 4.519 2.430 1.00 0.00 N ATOM 0 H LYS A 121 0.029 8.004 5.942 1.00 0.00 H new ATOM 0 HA LYS A 121 0.908 5.249 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.401 6.292 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.219 7.605 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.817 5.876 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.067 4.686 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.504 7.204 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.186 5.590 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.850 6.508 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.508 6.334 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.181 4.445 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.386 3.972 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.780 4.141 3.068 1.00 0.00 H new ATOM 1886 N ARG A 122 1.489 6.024 9.079 1.00 0.00 N ATOM 1887 CA ARG A 122 2.082 6.328 10.411 1.00 0.00 C ATOM 1888 C ARG A 122 3.414 5.547 10.586 1.00 0.00 C ATOM 1889 O ARG A 122 3.429 4.325 10.762 1.00 0.00 O ATOM 1890 CB ARG A 122 1.115 6.117 11.608 1.00 0.00 C ATOM 1891 CG ARG A 122 0.286 4.817 11.696 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.051 4.353 13.131 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.860 5.314 13.928 1.00 0.00 N ATOM 1894 CZ ARG A 122 -2.199 5.276 14.060 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -2.985 4.402 13.437 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.767 6.163 14.858 1.00 0.00 N ATOM 0 H ARG A 122 0.902 5.190 9.069 1.00 0.00 H new ATOM 0 HA ARG A 122 2.290 7.398 10.425 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.705 6.190 12.521 1.00 0.00 H new ATOM 0 HB3 ARG A 122 0.414 6.952 11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -0.646 4.960 11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.833 4.020 11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.590 3.407 13.074 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.881 4.158 13.662 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.361 6.060 14.412 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.578 3.704 12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.994 4.429 13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.193 6.847 15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.779 6.163 14.982 1.00 0.00 H new ATOM 1910 N ILE A 123 4.526 6.296 10.538 1.00 0.00 N ATOM 1911 CA ILE A 123 5.911 5.744 10.533 1.00 0.00 C ATOM 1912 C ILE A 123 6.390 5.761 12.018 1.00 0.00 C ATOM 1913 O ILE A 123 6.474 6.836 12.617 1.00 0.00 O ATOM 1914 CB ILE A 123 6.808 6.604 9.563 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.288 6.643 8.089 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.283 6.131 9.561 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.883 7.745 7.198 1.00 0.00 C ATOM 0 H ILE A 123 4.501 7.315 10.501 1.00 0.00 H new ATOM 0 HA ILE A 123 5.969 4.722 10.158 1.00 0.00 H new ATOM 0 HB ILE A 123 6.746 7.615 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.493 5.678 7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.205 6.764 8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.863 6.752 8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.694 6.216 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.331 5.092 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.452 7.678 6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.656 8.721 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.964 7.619 7.136 1.00 0.00 H new ATOM 1929 N SER A 124 6.684 4.581 12.596 1.00 0.00 N ATOM 1930 CA SER A 124 7.004 4.432 14.043 1.00 0.00 C ATOM 1931 C SER A 124 8.391 3.760 14.206 1.00 0.00 C ATOM 1932 O SER A 124 8.576 2.586 13.872 1.00 0.00 O ATOM 1933 CB SER A 124 5.893 3.614 14.749 1.00 0.00 C ATOM 1934 OG SER A 124 4.709 4.386 14.908 1.00 0.00 O ATOM 0 H SER A 124 6.708 3.701 12.081 1.00 0.00 H new ATOM 0 HA SER A 124 7.046 5.415 14.512 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.671 2.719 14.168 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.247 3.281 15.725 1.00 0.00 H new ATOM 0 HG SER A 124 4.024 3.846 15.354 1.00 0.00 H new ATOM 1940 N LYS A 125 9.357 4.517 14.753 1.00 0.00 N ATOM 1941 CA LYS A 125 10.733 4.029 15.046 1.00 0.00 C ATOM 1942 C LYS A 125 10.792 3.054 16.262 1.00 0.00 C ATOM 1943 O LYS A 125 10.112 3.271 17.270 1.00 0.00 O ATOM 1944 CB LYS A 125 11.682 5.251 15.223 1.00 0.00 C ATOM 1945 CG LYS A 125 11.423 6.189 16.437 1.00 0.00 C ATOM 1946 CD LYS A 125 12.295 7.459 16.498 1.00 0.00 C ATOM 1947 CE LYS A 125 13.791 7.204 16.768 1.00 0.00 C ATOM 1948 NZ LYS A 125 14.538 8.469 16.889 1.00 0.00 N ATOM 0 H LYS A 125 9.213 5.494 15.010 1.00 0.00 H new ATOM 0 HA LYS A 125 11.071 3.435 14.197 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.703 4.876 15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.629 5.852 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.375 6.490 16.423 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.579 5.619 17.353 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.197 7.996 15.554 1.00 0.00 H new ATOM 0 HD3 LYS A 125 11.906 8.113 17.278 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.903 6.624 17.684 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.212 6.607 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.541 8.264 17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.450 9.010 16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.151 9.027 17.677 1.00 0.00 H new ATOM 1962 N ARG A 126 11.637 2.008 16.172 1.00 0.00 N ATOM 1963 CA ARG A 126 11.833 1.028 17.278 1.00 0.00 C ATOM 1964 C ARG A 126 12.788 1.610 18.360 1.00 0.00 C ATOM 1965 O ARG A 126 13.882 2.093 18.044 1.00 0.00 O ATOM 1966 CB ARG A 126 12.360 -0.306 16.675 1.00 0.00 C ATOM 1967 CG ARG A 126 12.209 -1.584 17.533 1.00 0.00 C ATOM 1968 CD ARG A 126 13.361 -1.877 18.510 1.00 0.00 C ATOM 1969 NE ARG A 126 13.102 -3.135 19.253 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.907 -3.637 20.209 1.00 0.00 C ATOM 1971 NH1 ARG A 126 15.029 -3.049 20.622 1.00 0.00 N ATOM 1972 NH2 ARG A 126 13.564 -4.781 20.770 1.00 0.00 N ATOM 0 H ARG A 126 12.200 1.813 15.344 1.00 0.00 H new ATOM 0 HA ARG A 126 10.886 0.827 17.779 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.847 -0.474 15.728 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.418 -0.177 16.446 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.284 -1.507 18.105 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.100 -2.437 16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.300 -1.958 17.962 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.471 -1.049 19.211 1.00 0.00 H new ATOM 0 HE ARG A 126 12.255 -3.656 19.024 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.323 -2.164 20.209 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.594 -3.484 21.352 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.711 -5.258 20.476 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.152 -5.189 21.497 1.00 0.00 H new ATOM 1986 N ILE A 127 12.366 1.536 19.638 1.00 0.00 N ATOM 1987 CA ILE A 127 13.143 2.073 20.791 1.00 0.00 C ATOM 1988 C ILE A 127 14.226 1.021 21.129 1.00 0.00 C ATOM 1989 O ILE A 127 15.360 1.104 20.655 1.00 0.00 O ATOM 1990 CB ILE A 127 12.230 2.392 22.030 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.034 3.352 21.724 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.050 2.963 23.221 1.00 0.00 C ATOM 1993 CD1 ILE A 127 9.937 3.387 22.803 1.00 0.00 C ATOM 0 H ILE A 127 11.481 1.105 19.907 1.00 0.00 H new ATOM 0 HA ILE A 127 13.601 3.026 20.526 1.00 0.00 H new ATOM 0 HB ILE A 127 11.804 1.426 22.300 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.423 4.361 21.589 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.582 3.055 20.777 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.382 3.170 24.057 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.801 2.235 23.528 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.544 3.885 22.914 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.152 4.080 22.501 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.514 2.390 22.924 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.367 3.716 23.749 1.00 0.00 H new TER 2005 ILE A 127