USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot -113:sc= 1.27 USER MOD Set 1.3: A 111 ASN : amide:sc= 1.11 K(o=2.4,f=-3.8) USER MOD Set 1.4: A 113 MET CE :methyl -137:sc= 0 (180deg=0) USER MOD Set 2.1: A 94 THR OG1 : rot -109:sc= 1.01 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -172:sc= 1.88 (180deg=0.564) USER MOD Set 3.1: A 81 THR OG1 : rot -59:sc= 1.19 USER MOD Set 3.2: A 93 THR OG1 : rot 51:sc= 2.2 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0.42 K(o=0.84,f=-0.34) USER MOD Set 4.2: A 64 THR OG1 : rot -113:sc= 0.422 USER MOD Set 5.1: A 10 GLN : amide:sc= 0.968 K(o=2.1,f=-4.1) USER MOD Set 5.2: A 36 LYS NZ :NH3+ 179:sc= 1.13 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.702 USER MOD Single : A 4 SER OG : rot 180:sc= 0.109 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 7 TYR OH : rot -130:sc= -0.0162 USER MOD Single : A 8 GLN : amide:sc= 0.863 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.43 K(o=1.4,f=-4.7!) USER MOD Single : A 14 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 19 MET CE :methyl 152:sc= -0.0121 (180deg=-0.325) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 2.09 (180deg=1.29) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 1.23 (180deg=1.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.332!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 2.09 K(o=2.1,f=-3.6!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 1.31 (180deg=0.84) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.08 (180deg=-0.532!) USER MOD Single : A 51 THR OG1 : rot 136:sc= 0.995 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.14 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.08) USER MOD Single : A 60 GLN : amide:sc= 0.136 K(o=0.14,f=-1.2) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 CYS SG : rot 45:sc= 0.786 USER MOD Single : A 73 THR OG1 : rot -119:sc= 0.968 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.12) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 1.21 (180deg=-0.0207!) USER MOD Single : A 84 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.0078) USER MOD Single : A 89 ASN : amide:sc= 0.459 X(o=0.46,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= 1.13 (180deg=0.958) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.252) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 110 THR OG1 : rot 2:sc= 1.24 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00391 USER MOD Single : A 114 THR OG1 : rot -61:sc= 0.863 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0715 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.709 -10.525 -10.863 1.00 0.00 N ATOM 2 CA SER A 2 7.551 -11.047 -9.759 1.00 0.00 C ATOM 3 C SER A 2 7.566 -10.040 -8.575 1.00 0.00 C ATOM 4 O SER A 2 8.299 -9.046 -8.576 1.00 0.00 O ATOM 5 CB SER A 2 8.955 -11.342 -10.325 1.00 0.00 C ATOM 6 OG SER A 2 9.811 -11.900 -9.327 1.00 0.00 O ATOM 0 HA SER A 2 7.146 -11.976 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.873 -12.033 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.394 -10.422 -10.711 1.00 0.00 H new ATOM 0 HG SER A 2 10.693 -12.078 -9.715 1.00 0.00 H new ATOM 13 N PHE A 3 6.775 -10.335 -7.538 1.00 0.00 N ATOM 14 CA PHE A 3 6.600 -9.440 -6.353 1.00 0.00 C ATOM 15 C PHE A 3 7.589 -9.604 -5.151 1.00 0.00 C ATOM 16 O PHE A 3 7.476 -8.831 -4.199 1.00 0.00 O ATOM 17 CB PHE A 3 5.116 -9.555 -5.893 1.00 0.00 C ATOM 18 CG PHE A 3 4.105 -8.811 -6.779 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.799 -7.470 -6.523 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.462 -9.475 -7.830 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.864 -6.803 -7.311 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.512 -8.811 -8.596 1.00 0.00 C ATOM 23 CZ PHE A 3 2.212 -7.478 -8.335 1.00 0.00 C ATOM 0 H PHE A 3 6.232 -11.196 -7.481 1.00 0.00 H new ATOM 0 HA PHE A 3 6.862 -8.441 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.842 -10.609 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.036 -9.173 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.289 -6.951 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.705 -10.505 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.646 -5.762 -7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.005 -9.331 -9.396 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.470 -6.966 -8.930 1.00 0.00 H new ATOM 33 N SER A 4 8.558 -10.538 -5.154 1.00 0.00 N ATOM 34 CA SER A 4 9.516 -10.700 -4.022 1.00 0.00 C ATOM 35 C SER A 4 10.620 -9.587 -4.001 1.00 0.00 C ATOM 36 O SER A 4 11.397 -9.454 -4.955 1.00 0.00 O ATOM 37 CB SER A 4 10.109 -12.127 -4.059 1.00 0.00 C ATOM 38 OG SER A 4 9.107 -13.100 -3.749 1.00 0.00 O ATOM 0 H SER A 4 8.706 -11.194 -5.921 1.00 0.00 H new ATOM 0 HA SER A 4 8.973 -10.573 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.525 -12.328 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.930 -12.203 -3.346 1.00 0.00 H new ATOM 0 HG SER A 4 9.501 -13.997 -3.779 1.00 0.00 H new ATOM 44 N GLY A 5 10.677 -8.790 -2.919 1.00 0.00 N ATOM 45 CA GLY A 5 11.668 -7.691 -2.780 1.00 0.00 C ATOM 46 C GLY A 5 11.359 -6.671 -1.657 1.00 0.00 C ATOM 47 O GLY A 5 10.264 -6.622 -1.087 1.00 0.00 O ATOM 0 H GLY A 5 10.048 -8.882 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.649 -8.128 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.732 -7.157 -3.728 1.00 0.00 H new ATOM 51 N LYS A 6 12.361 -5.837 -1.362 1.00 0.00 N ATOM 52 CA LYS A 6 12.268 -4.723 -0.374 1.00 0.00 C ATOM 53 C LYS A 6 12.234 -3.390 -1.186 1.00 0.00 C ATOM 54 O LYS A 6 13.259 -2.752 -1.423 1.00 0.00 O ATOM 55 CB LYS A 6 13.494 -4.802 0.574 1.00 0.00 C ATOM 56 CG LYS A 6 13.513 -5.982 1.576 1.00 0.00 C ATOM 57 CD LYS A 6 14.840 -6.038 2.366 1.00 0.00 C ATOM 58 CE LYS A 6 14.992 -7.250 3.307 1.00 0.00 C ATOM 59 NZ LYS A 6 14.131 -7.129 4.516 1.00 0.00 N ATOM 0 H LYS A 6 13.279 -5.906 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 6 11.371 -4.784 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.395 -4.857 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.549 -3.872 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.679 -5.883 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.370 -6.919 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.667 -6.043 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.932 -5.126 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.734 -8.162 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.034 -7.344 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.264 -7.964 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.393 -6.273 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.134 -7.066 4.227 1.00 0.00 H new ATOM 73 N TYR A 7 11.046 -2.953 -1.614 1.00 0.00 N ATOM 74 CA TYR A 7 10.892 -1.826 -2.577 1.00 0.00 C ATOM 75 C TYR A 7 10.976 -0.431 -1.882 1.00 0.00 C ATOM 76 O TYR A 7 10.046 -0.042 -1.171 1.00 0.00 O ATOM 77 CB TYR A 7 9.541 -1.987 -3.355 1.00 0.00 C ATOM 78 CG TYR A 7 9.294 -3.268 -4.192 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.951 -4.471 -3.562 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.349 -3.229 -5.591 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.740 -5.626 -4.309 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.112 -4.381 -6.340 1.00 0.00 C ATOM 83 CZ TYR A 7 8.832 -5.583 -5.696 1.00 0.00 C ATOM 84 OH TYR A 7 8.702 -6.743 -6.410 1.00 0.00 O ATOM 0 H TYR A 7 10.160 -3.359 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 7 11.724 -1.867 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.733 -1.911 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.446 -1.134 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.849 -4.503 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.577 -2.300 -6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.505 -6.555 -3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.146 -4.341 -7.419 1.00 0.00 H new ATOM 0 HH TYR A 7 9.445 -6.822 -7.044 1.00 0.00 H new ATOM 94 N GLN A 8 12.065 0.339 -2.073 1.00 0.00 N ATOM 95 CA GLN A 8 12.193 1.688 -1.447 1.00 0.00 C ATOM 96 C GLN A 8 11.406 2.806 -2.210 1.00 0.00 C ATOM 97 O GLN A 8 11.478 2.929 -3.438 1.00 0.00 O ATOM 98 CB GLN A 8 13.681 2.054 -1.235 1.00 0.00 C ATOM 99 CG GLN A 8 13.879 3.207 -0.213 1.00 0.00 C ATOM 100 CD GLN A 8 15.314 3.665 0.032 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.291 3.222 -0.564 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.475 4.605 0.929 1.00 0.00 N ATOM 0 H GLN A 8 12.863 0.064 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 8 11.718 1.628 -0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.221 1.172 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.119 2.343 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.301 4.066 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.454 2.894 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.667 4.978 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.408 4.965 1.129 1.00 0.00 H new ATOM 111 N LEU A 9 10.698 3.652 -1.442 1.00 0.00 N ATOM 112 CA LEU A 9 9.861 4.755 -1.978 1.00 0.00 C ATOM 113 C LEU A 9 10.677 5.910 -2.635 1.00 0.00 C ATOM 114 O LEU A 9 11.658 6.412 -2.081 1.00 0.00 O ATOM 115 CB LEU A 9 8.939 5.235 -0.821 1.00 0.00 C ATOM 116 CG LEU A 9 7.932 6.378 -1.128 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.911 6.008 -2.218 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.190 6.774 0.156 1.00 0.00 C ATOM 0 H LEU A 9 10.686 3.595 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 9 9.261 4.383 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.372 4.375 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.575 5.560 0.002 1.00 0.00 H new ATOM 0 HG LEU A 9 8.515 7.217 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.237 6.848 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.436 5.774 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.336 5.139 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.485 7.576 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.649 5.911 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.909 7.117 0.901 1.00 0.00 H new ATOM 130 N GLN A 10 10.227 6.327 -3.825 1.00 0.00 N ATOM 131 CA GLN A 10 10.856 7.419 -4.613 1.00 0.00 C ATOM 132 C GLN A 10 9.910 8.653 -4.705 1.00 0.00 C ATOM 133 O GLN A 10 10.264 9.728 -4.216 1.00 0.00 O ATOM 134 CB GLN A 10 11.268 6.856 -6.000 1.00 0.00 C ATOM 135 CG GLN A 10 12.343 5.745 -5.975 1.00 0.00 C ATOM 136 CD GLN A 10 13.794 6.206 -5.756 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.099 7.295 -5.267 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.741 5.366 -6.096 1.00 0.00 N ATOM 0 H GLN A 10 9.410 5.919 -4.280 1.00 0.00 H new ATOM 0 HA GLN A 10 11.757 7.778 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.378 6.465 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.636 7.679 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.086 5.038 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.295 5.201 -6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.499 4.462 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.720 5.616 -5.955 1.00 0.00 H new ATOM 147 N SER A 11 8.733 8.503 -5.340 1.00 0.00 N ATOM 148 CA SER A 11 7.720 9.589 -5.458 1.00 0.00 C ATOM 149 C SER A 11 6.374 9.196 -4.764 1.00 0.00 C ATOM 150 O SER A 11 5.901 8.059 -4.864 1.00 0.00 O ATOM 151 CB SER A 11 7.558 9.920 -6.959 1.00 0.00 C ATOM 152 OG SER A 11 6.645 10.999 -7.165 1.00 0.00 O ATOM 0 H SER A 11 8.450 7.631 -5.787 1.00 0.00 H new ATOM 0 HA SER A 11 8.053 10.485 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.529 10.179 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.204 9.037 -7.491 1.00 0.00 H new ATOM 0 HG SER A 11 6.567 11.183 -8.124 1.00 0.00 H new ATOM 158 N GLN A 12 5.763 10.154 -4.045 1.00 0.00 N ATOM 159 CA GLN A 12 4.463 9.961 -3.342 1.00 0.00 C ATOM 160 C GLN A 12 3.513 11.121 -3.781 1.00 0.00 C ATOM 161 O GLN A 12 3.778 12.290 -3.484 1.00 0.00 O ATOM 162 CB GLN A 12 4.761 9.893 -1.818 1.00 0.00 C ATOM 163 CG GLN A 12 3.603 9.345 -0.948 1.00 0.00 C ATOM 164 CD GLN A 12 3.945 8.848 0.468 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.530 7.770 0.887 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.652 9.601 1.275 1.00 0.00 N ATOM 0 H GLN A 12 6.151 11.090 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 12 3.952 9.033 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.640 9.267 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.016 10.893 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.852 10.130 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.138 8.521 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.008 10.500 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.846 9.287 2.226 1.00 0.00 H new ATOM 175 N GLU A 13 2.421 10.797 -4.496 1.00 0.00 N ATOM 176 CA GLU A 13 1.529 11.808 -5.129 1.00 0.00 C ATOM 177 C GLU A 13 0.478 12.432 -4.145 1.00 0.00 C ATOM 178 O GLU A 13 0.836 13.292 -3.335 1.00 0.00 O ATOM 179 CB GLU A 13 0.995 11.095 -6.408 1.00 0.00 C ATOM 180 CG GLU A 13 0.245 11.967 -7.444 1.00 0.00 C ATOM 181 CD GLU A 13 -0.467 11.131 -8.499 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.192 10.662 -9.452 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.687 10.914 -8.356 1.00 0.00 O ATOM 0 H GLU A 13 2.125 9.834 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 13 2.043 12.725 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.841 10.626 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.326 10.294 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.483 12.594 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.953 12.637 -7.932 1.00 0.00 H new ATOM 190 N ASN A 14 -0.802 12.010 -4.170 1.00 0.00 N ATOM 191 CA ASN A 14 -1.877 12.623 -3.337 1.00 0.00 C ATOM 192 C ASN A 14 -1.932 12.114 -1.856 1.00 0.00 C ATOM 193 O ASN A 14 -2.931 11.550 -1.402 1.00 0.00 O ATOM 194 CB ASN A 14 -3.226 12.451 -4.091 1.00 0.00 C ATOM 195 CG ASN A 14 -3.458 13.369 -5.293 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.653 14.570 -5.146 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.474 12.857 -6.500 1.00 0.00 N ATOM 0 H ASN A 14 -1.126 11.243 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.649 13.682 -3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.297 11.418 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.037 12.609 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.648 13.457 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.313 11.859 -6.633 1.00 0.00 H new ATOM 204 N PHE A 15 -0.863 12.367 -1.082 1.00 0.00 N ATOM 205 CA PHE A 15 -0.821 12.046 0.377 1.00 0.00 C ATOM 206 C PHE A 15 -1.649 13.078 1.224 1.00 0.00 C ATOM 207 O PHE A 15 -2.588 12.680 1.919 1.00 0.00 O ATOM 208 CB PHE A 15 0.671 11.900 0.784 1.00 0.00 C ATOM 209 CG PHE A 15 0.922 11.244 2.151 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.942 12.020 3.311 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.213 9.879 2.241 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.265 11.443 4.536 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.556 9.308 3.463 1.00 0.00 C ATOM 214 CZ PHE A 15 1.577 10.090 4.612 1.00 0.00 C ATOM 0 H PHE A 15 -0.006 12.795 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.315 11.098 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.182 11.314 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.128 12.890 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.706 13.073 3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.171 9.263 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.273 12.048 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.806 8.259 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.835 9.647 5.563 1.00 0.00 H new ATOM 224 N GLU A 16 -1.333 14.388 1.131 1.00 0.00 N ATOM 225 CA GLU A 16 -2.102 15.493 1.785 1.00 0.00 C ATOM 226 C GLU A 16 -3.649 15.499 1.522 1.00 0.00 C ATOM 227 O GLU A 16 -4.437 15.561 2.472 1.00 0.00 O ATOM 228 CB GLU A 16 -1.428 16.839 1.366 1.00 0.00 C ATOM 229 CG GLU A 16 -0.296 17.343 2.300 1.00 0.00 C ATOM 230 CD GLU A 16 -0.814 18.080 3.521 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.245 19.245 3.386 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.873 17.496 4.621 1.00 0.00 O ATOM 0 H GLU A 16 -0.531 14.721 0.597 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.052 15.336 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.021 16.723 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.198 17.608 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.305 16.493 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.364 18.004 1.737 1.00 0.00 H new ATOM 239 N ALA A 17 -4.074 15.413 0.246 1.00 0.00 N ATOM 240 CA ALA A 17 -5.508 15.303 -0.130 1.00 0.00 C ATOM 241 C ALA A 17 -6.241 14.003 0.353 1.00 0.00 C ATOM 242 O ALA A 17 -7.391 14.089 0.788 1.00 0.00 O ATOM 243 CB ALA A 17 -5.565 15.488 -1.659 1.00 0.00 C ATOM 0 H ALA A 17 -3.441 15.417 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.069 16.076 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.599 15.417 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.164 16.467 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.972 14.711 -2.142 1.00 0.00 H new ATOM 249 N PHE A 18 -5.592 12.821 0.302 1.00 0.00 N ATOM 250 CA PHE A 18 -6.173 11.544 0.810 1.00 0.00 C ATOM 251 C PHE A 18 -6.284 11.475 2.360 1.00 0.00 C ATOM 252 O PHE A 18 -7.382 11.234 2.866 1.00 0.00 O ATOM 253 CB PHE A 18 -5.363 10.378 0.178 1.00 0.00 C ATOM 254 CG PHE A 18 -5.901 8.951 0.391 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.537 8.236 1.536 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.679 8.322 -0.589 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.927 6.910 1.694 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.068 6.994 -0.431 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.688 6.290 0.709 1.00 0.00 C ATOM 0 H PHE A 18 -4.656 12.717 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.215 11.468 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.295 10.557 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.348 10.419 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.949 8.717 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.979 8.869 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.639 6.363 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.664 6.511 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.985 5.259 0.828 1.00 0.00 H new ATOM 269 N MET A 19 -5.186 11.694 3.109 1.00 0.00 N ATOM 270 CA MET A 19 -5.197 11.663 4.598 1.00 0.00 C ATOM 271 C MET A 19 -6.149 12.718 5.261 1.00 0.00 C ATOM 272 O MET A 19 -6.856 12.364 6.209 1.00 0.00 O ATOM 273 CB MET A 19 -3.742 11.694 5.117 1.00 0.00 C ATOM 274 CG MET A 19 -2.900 10.417 4.893 1.00 0.00 C ATOM 275 SD MET A 19 -2.697 10.056 3.135 1.00 0.00 S ATOM 276 CE MET A 19 -2.267 8.313 3.172 1.00 0.00 C ATOM 0 H MET A 19 -4.269 11.897 2.710 1.00 0.00 H new ATOM 0 HA MET A 19 -5.648 10.723 4.916 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.228 12.529 4.641 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.766 11.903 6.187 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.921 10.540 5.355 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.381 9.572 5.386 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.588 7.839 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.188 8.207 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.765 7.833 4.015 1.00 0.00 H new ATOM 286 N LYS A 20 -6.226 13.973 4.760 1.00 0.00 N ATOM 287 CA LYS A 20 -7.291 14.932 5.183 1.00 0.00 C ATOM 288 C LYS A 20 -8.740 14.473 4.773 1.00 0.00 C ATOM 289 O LYS A 20 -9.637 14.572 5.614 1.00 0.00 O ATOM 290 CB LYS A 20 -6.961 16.376 4.714 1.00 0.00 C ATOM 291 CG LYS A 20 -5.981 17.140 5.641 1.00 0.00 C ATOM 292 CD LYS A 20 -5.803 18.631 5.261 1.00 0.00 C ATOM 293 CE LYS A 20 -4.667 18.926 4.260 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.368 19.039 4.971 1.00 0.00 N ATOM 0 H LYS A 20 -5.575 14.348 4.070 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.297 14.937 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.534 16.331 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.889 16.943 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.341 17.076 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.009 16.648 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.740 18.996 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.620 19.201 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.614 18.131 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.877 19.851 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.685 19.542 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.502 19.567 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.006 18.088 5.186 1.00 0.00 H new ATOM 308 N ALA A 21 -8.989 13.950 3.545 1.00 0.00 N ATOM 309 CA ALA A 21 -10.312 13.369 3.171 1.00 0.00 C ATOM 310 C ALA A 21 -10.795 12.148 4.032 1.00 0.00 C ATOM 311 O ALA A 21 -11.986 12.071 4.344 1.00 0.00 O ATOM 312 CB ALA A 21 -10.260 13.027 1.670 1.00 0.00 C ATOM 0 H ALA A 21 -8.296 13.917 2.797 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.069 14.123 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.214 12.599 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.067 13.934 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.463 12.306 1.488 1.00 0.00 H new ATOM 318 N ILE A 22 -9.902 11.217 4.431 1.00 0.00 N ATOM 319 CA ILE A 22 -10.256 10.082 5.351 1.00 0.00 C ATOM 320 C ILE A 22 -10.259 10.429 6.892 1.00 0.00 C ATOM 321 O ILE A 22 -10.633 9.569 7.696 1.00 0.00 O ATOM 322 CB ILE A 22 -9.445 8.774 5.020 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.914 8.864 5.285 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.722 8.264 3.583 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.181 7.517 5.380 1.00 0.00 C ATOM 0 H ILE A 22 -8.925 11.218 4.137 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.305 9.880 5.136 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.824 8.043 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.458 9.451 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.755 9.411 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.141 7.360 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.783 8.041 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.437 9.031 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.121 7.692 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.601 6.931 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.300 6.971 4.444 1.00 0.00 H new ATOM 337 N GLY A 23 -9.851 11.642 7.316 1.00 0.00 N ATOM 338 CA GLY A 23 -9.875 12.073 8.740 1.00 0.00 C ATOM 339 C GLY A 23 -8.605 11.868 9.592 1.00 0.00 C ATOM 340 O GLY A 23 -8.721 11.380 10.718 1.00 0.00 O ATOM 0 H GLY A 23 -9.493 12.357 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.121 13.135 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.693 11.547 9.232 1.00 0.00 H new ATOM 344 N LEU A 24 -7.421 12.275 9.101 1.00 0.00 N ATOM 345 CA LEU A 24 -6.141 12.168 9.863 1.00 0.00 C ATOM 346 C LEU A 24 -5.514 13.561 10.263 1.00 0.00 C ATOM 347 O LEU A 24 -5.809 14.574 9.616 1.00 0.00 O ATOM 348 CB LEU A 24 -5.150 11.247 9.085 1.00 0.00 C ATOM 349 CG LEU A 24 -5.046 9.803 9.649 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.204 8.910 9.177 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.700 9.171 9.279 1.00 0.00 C ATOM 0 H LEU A 24 -7.313 12.686 8.174 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.364 11.705 10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.462 11.196 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.160 11.703 9.100 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.115 9.879 10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.088 7.911 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.151 9.336 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.196 8.849 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.649 8.160 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.602 9.132 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.890 9.770 9.695 1.00 0.00 H new ATOM 363 N PRO A 25 -4.625 13.662 11.304 1.00 0.00 N ATOM 364 CA PRO A 25 -4.033 14.956 11.740 1.00 0.00 C ATOM 365 C PRO A 25 -2.880 15.505 10.859 1.00 0.00 C ATOM 366 O PRO A 25 -1.934 14.789 10.519 1.00 0.00 O ATOM 367 CB PRO A 25 -3.502 14.642 13.150 1.00 0.00 C ATOM 368 CG PRO A 25 -3.298 13.127 13.200 1.00 0.00 C ATOM 369 CD PRO A 25 -4.200 12.516 12.132 1.00 0.00 C ATOM 0 HA PRO A 25 -4.786 15.741 11.680 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.566 15.168 13.340 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.210 14.965 13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.255 12.873 13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.550 12.737 14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.665 11.775 11.538 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.056 12.010 12.578 1.00 0.00 H new ATOM 377 N GLU A 26 -2.912 16.818 10.599 1.00 0.00 N ATOM 378 CA GLU A 26 -1.870 17.526 9.810 1.00 0.00 C ATOM 379 C GLU A 26 -0.392 17.404 10.321 1.00 0.00 C ATOM 380 O GLU A 26 0.521 17.301 9.499 1.00 0.00 O ATOM 381 CB GLU A 26 -2.356 18.977 9.620 1.00 0.00 C ATOM 382 CG GLU A 26 -3.624 19.149 8.737 1.00 0.00 C ATOM 383 CD GLU A 26 -3.807 20.530 8.136 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.389 21.409 8.800 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.407 20.719 6.966 1.00 0.00 O ATOM 0 H GLU A 26 -3.659 17.430 10.926 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.773 17.019 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.558 19.405 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.546 19.558 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.586 18.420 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.502 18.912 9.339 1.00 0.00 H new ATOM 392 N GLU A 27 -0.172 17.368 11.650 1.00 0.00 N ATOM 393 CA GLU A 27 1.148 17.059 12.280 1.00 0.00 C ATOM 394 C GLU A 27 1.742 15.663 11.868 1.00 0.00 C ATOM 395 O GLU A 27 2.883 15.606 11.396 1.00 0.00 O ATOM 396 CB GLU A 27 0.942 17.275 13.809 1.00 0.00 C ATOM 397 CG GLU A 27 2.139 16.978 14.755 1.00 0.00 C ATOM 398 CD GLU A 27 2.236 15.555 15.299 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.227 15.027 15.808 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.338 14.969 15.255 1.00 0.00 O ATOM 0 H GLU A 27 -0.907 17.553 12.332 1.00 0.00 H new ATOM 0 HA GLU A 27 1.930 17.725 11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.644 18.312 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.105 16.653 14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.062 17.203 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.085 17.664 15.600 1.00 0.00 H new ATOM 407 N LEU A 28 0.975 14.556 11.986 1.00 0.00 N ATOM 408 CA LEU A 28 1.420 13.215 11.495 1.00 0.00 C ATOM 409 C LEU A 28 1.509 13.110 9.924 1.00 0.00 C ATOM 410 O LEU A 28 2.428 12.475 9.400 1.00 0.00 O ATOM 411 CB LEU A 28 0.557 12.072 12.106 1.00 0.00 C ATOM 412 CG LEU A 28 0.340 12.017 13.648 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.513 10.792 14.024 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.628 11.991 14.486 1.00 0.00 C ATOM 0 H LEU A 28 0.049 14.555 12.413 1.00 0.00 H new ATOM 0 HA LEU A 28 2.443 13.092 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.427 12.120 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.007 11.126 11.805 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.168 12.951 13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.657 10.766 15.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.483 10.859 13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.005 9.883 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.372 11.953 15.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.216 11.112 14.223 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.211 12.890 14.286 1.00 0.00 H new ATOM 426 N ILE A 29 0.591 13.757 9.172 1.00 0.00 N ATOM 427 CA ILE A 29 0.630 13.845 7.674 1.00 0.00 C ATOM 428 C ILE A 29 1.926 14.580 7.174 1.00 0.00 C ATOM 429 O ILE A 29 2.635 14.049 6.315 1.00 0.00 O ATOM 430 CB ILE A 29 -0.697 14.456 7.088 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.977 13.686 7.518 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.693 14.529 5.538 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.308 14.432 7.289 1.00 0.00 C ATOM 0 H ILE A 29 -0.209 14.241 9.580 1.00 0.00 H new ATOM 0 HA ILE A 29 0.687 12.829 7.282 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.724 15.461 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.012 12.742 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.895 13.442 8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.633 14.958 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.136 15.154 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.579 13.526 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.137 13.808 7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.305 15.364 7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.424 14.652 6.228 1.00 0.00 H new ATOM 445 N GLN A 30 2.252 15.765 7.731 1.00 0.00 N ATOM 446 CA GLN A 30 3.547 16.469 7.475 1.00 0.00 C ATOM 447 C GLN A 30 4.846 15.655 7.808 1.00 0.00 C ATOM 448 O GLN A 30 5.883 15.899 7.188 1.00 0.00 O ATOM 449 CB GLN A 30 3.502 17.858 8.182 1.00 0.00 C ATOM 450 CG GLN A 30 2.979 19.067 7.350 1.00 0.00 C ATOM 451 CD GLN A 30 1.868 18.847 6.313 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.116 18.857 5.112 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.646 18.613 6.724 1.00 0.00 N ATOM 0 H GLN A 30 1.635 16.267 8.369 1.00 0.00 H new ATOM 0 HA GLN A 30 3.633 16.596 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.877 17.764 9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.509 18.095 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.624 19.819 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.833 19.498 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.437 18.604 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.096 18.440 6.046 1.00 0.00 H new ATOM 462 N LYS A 31 4.790 14.690 8.746 1.00 0.00 N ATOM 463 CA LYS A 31 5.910 13.751 9.013 1.00 0.00 C ATOM 464 C LYS A 31 6.010 12.632 7.923 1.00 0.00 C ATOM 465 O LYS A 31 7.051 12.524 7.272 1.00 0.00 O ATOM 466 CB LYS A 31 5.727 13.186 10.444 1.00 0.00 C ATOM 467 CG LYS A 31 6.129 14.150 11.582 1.00 0.00 C ATOM 468 CD LYS A 31 5.709 13.575 12.943 1.00 0.00 C ATOM 469 CE LYS A 31 6.299 14.340 14.136 1.00 0.00 C ATOM 470 NZ LYS A 31 5.668 13.787 15.358 1.00 0.00 N ATOM 0 H LYS A 31 3.975 14.535 9.340 1.00 0.00 H new ATOM 0 HA LYS A 31 6.862 14.278 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.682 12.906 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.316 12.273 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.207 14.313 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.657 15.121 11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.621 13.588 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.020 12.532 13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.382 14.221 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.098 15.408 14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.364 13.771 16.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.860 14.383 15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.337 12.819 15.170 1.00 0.00 H new ATOM 484 N GLY A 32 4.954 11.819 7.701 1.00 0.00 N ATOM 485 CA GLY A 32 4.979 10.742 6.670 1.00 0.00 C ATOM 486 C GLY A 32 4.928 11.086 5.159 1.00 0.00 C ATOM 487 O GLY A 32 5.116 10.172 4.353 1.00 0.00 O ATOM 0 H GLY A 32 4.075 11.882 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.887 10.162 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.137 10.082 6.876 1.00 0.00 H new ATOM 491 N LYS A 33 4.686 12.347 4.757 1.00 0.00 N ATOM 492 CA LYS A 33 4.635 12.743 3.317 1.00 0.00 C ATOM 493 C LYS A 33 5.963 12.664 2.483 1.00 0.00 C ATOM 494 O LYS A 33 5.913 12.244 1.322 1.00 0.00 O ATOM 495 CB LYS A 33 3.945 14.131 3.194 1.00 0.00 C ATOM 496 CG LYS A 33 4.684 15.338 3.825 1.00 0.00 C ATOM 497 CD LYS A 33 4.041 16.706 3.539 1.00 0.00 C ATOM 498 CE LYS A 33 4.317 17.271 2.128 1.00 0.00 C ATOM 499 NZ LYS A 33 5.705 17.802 1.997 1.00 0.00 N ATOM 0 H LYS A 33 4.521 13.119 5.403 1.00 0.00 H new ATOM 0 HA LYS A 33 4.045 11.962 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.793 14.342 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.958 14.061 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.733 15.193 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.710 15.350 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.963 16.620 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.400 17.422 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.158 16.488 1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.603 18.066 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.057 17.620 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.703 18.826 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.324 17.330 2.687 1.00 0.00 H new ATOM 513 N ASP A 34 7.116 13.058 3.053 1.00 0.00 N ATOM 514 CA ASP A 34 8.426 13.113 2.324 1.00 0.00 C ATOM 515 C ASP A 34 9.479 11.995 2.683 1.00 0.00 C ATOM 516 O ASP A 34 10.562 11.967 2.089 1.00 0.00 O ATOM 517 CB ASP A 34 9.036 14.530 2.549 1.00 0.00 C ATOM 518 CG ASP A 34 8.202 15.736 2.102 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.889 15.878 0.903 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.807 16.547 2.967 1.00 0.00 O ATOM 0 H ASP A 34 7.181 13.349 4.028 1.00 0.00 H new ATOM 0 HA ASP A 34 8.199 12.914 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.246 14.641 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.993 14.571 2.029 1.00 0.00 H new ATOM 525 N ILE A 35 9.194 11.059 3.614 1.00 0.00 N ATOM 526 CA ILE A 35 10.160 10.006 4.059 1.00 0.00 C ATOM 527 C ILE A 35 10.275 8.868 2.985 1.00 0.00 C ATOM 528 O ILE A 35 9.317 8.123 2.752 1.00 0.00 O ATOM 529 CB ILE A 35 9.767 9.471 5.493 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.823 10.571 6.602 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.637 8.267 5.959 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.103 10.231 7.922 1.00 0.00 C ATOM 0 H ILE A 35 8.290 11.004 4.084 1.00 0.00 H new ATOM 0 HA ILE A 35 11.155 10.443 4.149 1.00 0.00 H new ATOM 0 HB ILE A 35 8.735 9.142 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.869 10.783 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.391 11.488 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.316 7.948 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.521 7.441 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.684 8.568 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.206 11.064 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.046 10.052 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.547 9.336 8.359 1.00 0.00 H new ATOM 544 N LYS A 36 11.472 8.687 2.386 1.00 0.00 N ATOM 545 CA LYS A 36 11.729 7.581 1.414 1.00 0.00 C ATOM 546 C LYS A 36 11.979 6.206 2.136 1.00 0.00 C ATOM 547 O LYS A 36 13.106 5.703 2.203 1.00 0.00 O ATOM 548 CB LYS A 36 12.910 7.964 0.476 1.00 0.00 C ATOM 549 CG LYS A 36 12.637 9.065 -0.578 1.00 0.00 C ATOM 550 CD LYS A 36 13.703 9.039 -1.697 1.00 0.00 C ATOM 551 CE LYS A 36 13.443 10.076 -2.802 1.00 0.00 C ATOM 552 NZ LYS A 36 14.327 9.798 -3.969 1.00 0.00 N ATOM 0 H LYS A 36 12.280 9.287 2.553 1.00 0.00 H new ATOM 0 HA LYS A 36 10.834 7.447 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.745 8.288 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.233 7.065 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.647 8.921 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.635 10.042 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.685 9.221 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.731 8.044 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.398 10.041 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.630 11.081 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.137 10.491 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.322 9.870 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.140 8.839 -4.326 1.00 0.00 H new ATOM 566 N GLY A 37 10.905 5.592 2.660 1.00 0.00 N ATOM 567 CA GLY A 37 10.994 4.298 3.385 1.00 0.00 C ATOM 568 C GLY A 37 10.900 3.021 2.518 1.00 0.00 C ATOM 569 O GLY A 37 10.660 3.059 1.310 1.00 0.00 O ATOM 0 H GLY A 37 9.958 5.967 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.939 4.274 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.198 4.267 4.129 1.00 0.00 H new ATOM 573 N VAL A 38 11.094 1.869 3.171 1.00 0.00 N ATOM 574 CA VAL A 38 11.029 0.529 2.508 1.00 0.00 C ATOM 575 C VAL A 38 9.565 -0.042 2.539 1.00 0.00 C ATOM 576 O VAL A 38 8.846 0.064 3.540 1.00 0.00 O ATOM 577 CB VAL A 38 12.091 -0.434 3.155 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.061 -1.878 2.599 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.553 0.057 2.984 1.00 0.00 C ATOM 0 H VAL A 38 11.300 1.822 4.169 1.00 0.00 H new ATOM 0 HA VAL A 38 11.286 0.626 1.453 1.00 0.00 H new ATOM 0 HB VAL A 38 11.796 -0.429 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.824 -2.476 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.080 -2.317 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.258 -1.859 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.233 -0.654 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.788 0.137 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.667 1.033 3.456 1.00 0.00 H new ATOM 589 N SER A 39 9.155 -0.664 1.424 1.00 0.00 N ATOM 590 CA SER A 39 7.858 -1.373 1.293 1.00 0.00 C ATOM 591 C SER A 39 8.166 -2.818 0.806 1.00 0.00 C ATOM 592 O SER A 39 8.362 -3.092 -0.383 1.00 0.00 O ATOM 593 CB SER A 39 6.938 -0.641 0.305 1.00 0.00 C ATOM 594 OG SER A 39 6.432 0.581 0.841 1.00 0.00 O ATOM 0 H SER A 39 9.716 -0.694 0.573 1.00 0.00 H new ATOM 0 HA SER A 39 7.337 -1.401 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.487 -0.433 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.105 -1.291 0.038 1.00 0.00 H new ATOM 0 HG SER A 39 5.853 1.014 0.179 1.00 0.00 H new ATOM 600 N GLU A 40 8.229 -3.745 1.759 1.00 0.00 N ATOM 601 CA GLU A 40 8.558 -5.169 1.493 1.00 0.00 C ATOM 602 C GLU A 40 7.344 -6.022 1.036 1.00 0.00 C ATOM 603 O GLU A 40 6.213 -5.796 1.472 1.00 0.00 O ATOM 604 CB GLU A 40 9.143 -5.730 2.812 1.00 0.00 C ATOM 605 CG GLU A 40 9.809 -7.128 2.751 1.00 0.00 C ATOM 606 CD GLU A 40 10.402 -7.561 4.078 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.639 -7.825 5.033 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.644 -7.627 4.175 1.00 0.00 O ATOM 0 H GLU A 40 8.055 -3.543 2.744 1.00 0.00 H new ATOM 0 HA GLU A 40 9.263 -5.222 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.881 -5.020 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.340 -5.770 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.070 -7.863 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.594 -7.118 1.995 1.00 0.00 H new ATOM 615 N ILE A 41 7.599 -7.024 0.181 1.00 0.00 N ATOM 616 CA ILE A 41 6.584 -8.046 -0.201 1.00 0.00 C ATOM 617 C ILE A 41 7.356 -9.404 -0.401 1.00 0.00 C ATOM 618 O ILE A 41 8.368 -9.455 -1.109 1.00 0.00 O ATOM 619 CB ILE A 41 5.742 -7.702 -1.489 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.091 -6.289 -1.531 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.634 -8.765 -1.743 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.593 -5.863 -2.924 1.00 0.00 C ATOM 0 H ILE A 41 8.505 -7.158 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 41 5.844 -8.094 0.598 1.00 0.00 H new ATOM 0 HB ILE A 41 6.493 -7.710 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.252 -6.267 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.817 -5.557 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.072 -8.498 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.094 -9.744 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.959 -8.799 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.154 -4.867 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.431 -5.849 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.842 -6.571 -3.274 1.00 0.00 H new ATOM 634 N VAL A 42 6.852 -10.508 0.182 1.00 0.00 N ATOM 635 CA VAL A 42 7.411 -11.883 -0.027 1.00 0.00 C ATOM 636 C VAL A 42 6.286 -12.713 -0.738 1.00 0.00 C ATOM 637 O VAL A 42 5.296 -13.092 -0.098 1.00 0.00 O ATOM 638 CB VAL A 42 7.890 -12.594 1.292 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.741 -13.851 0.993 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.688 -11.725 2.289 1.00 0.00 C ATOM 0 H VAL A 42 6.049 -10.486 0.811 1.00 0.00 H new ATOM 0 HA VAL A 42 8.315 -11.810 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 42 6.944 -12.845 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.051 -14.312 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.149 -14.563 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.623 -13.565 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.962 -12.325 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.591 -11.353 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.075 -10.883 2.610 1.00 0.00 H new ATOM 650 N GLN A 43 6.432 -13.015 -2.042 1.00 0.00 N ATOM 651 CA GLN A 43 5.407 -13.773 -2.816 1.00 0.00 C ATOM 652 C GLN A 43 5.486 -15.319 -2.572 1.00 0.00 C ATOM 653 O GLN A 43 6.384 -15.992 -3.085 1.00 0.00 O ATOM 654 CB GLN A 43 5.578 -13.374 -4.309 1.00 0.00 C ATOM 655 CG GLN A 43 4.510 -13.956 -5.275 1.00 0.00 C ATOM 656 CD GLN A 43 4.584 -13.486 -6.737 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.542 -12.876 -7.203 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.564 -13.777 -7.509 1.00 0.00 N ATOM 0 H GLN A 43 7.249 -12.749 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 43 4.404 -13.511 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.557 -12.287 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.563 -13.698 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.592 -15.043 -5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.523 -13.706 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.765 -14.284 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.570 -13.497 -8.490 1.00 0.00 H new ATOM 667 N ASN A 44 4.526 -15.879 -1.812 1.00 0.00 N ATOM 668 CA ASN A 44 4.460 -17.347 -1.525 1.00 0.00 C ATOM 669 C ASN A 44 3.167 -17.958 -2.174 1.00 0.00 C ATOM 670 O ASN A 44 2.239 -18.388 -1.477 1.00 0.00 O ATOM 671 CB ASN A 44 4.524 -17.585 0.015 1.00 0.00 C ATOM 672 CG ASN A 44 5.782 -17.120 0.757 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.756 -17.846 0.908 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.798 -15.912 1.267 1.00 0.00 N ATOM 0 H ASN A 44 3.775 -15.343 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 44 5.316 -17.856 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.665 -17.088 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.405 -18.654 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.616 -15.587 1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.993 -15.297 1.148 1.00 0.00 H new ATOM 681 N GLY A 45 3.100 -17.990 -3.524 1.00 0.00 N ATOM 682 CA GLY A 45 1.902 -18.476 -4.271 1.00 0.00 C ATOM 683 C GLY A 45 0.661 -17.566 -4.112 1.00 0.00 C ATOM 684 O GLY A 45 0.535 -16.549 -4.796 1.00 0.00 O ATOM 0 H GLY A 45 3.863 -17.684 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.151 -18.554 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.652 -19.480 -3.927 1.00 0.00 H new ATOM 688 N LYS A 46 -0.239 -17.947 -3.195 1.00 0.00 N ATOM 689 CA LYS A 46 -1.391 -17.095 -2.783 1.00 0.00 C ATOM 690 C LYS A 46 -1.045 -16.095 -1.620 1.00 0.00 C ATOM 691 O LYS A 46 -1.607 -14.999 -1.608 1.00 0.00 O ATOM 692 CB LYS A 46 -2.587 -18.004 -2.372 1.00 0.00 C ATOM 693 CG LYS A 46 -3.279 -18.790 -3.516 1.00 0.00 C ATOM 694 CD LYS A 46 -4.366 -19.790 -3.034 1.00 0.00 C ATOM 695 CE LYS A 46 -5.847 -19.375 -3.196 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.224 -18.245 -2.307 1.00 0.00 N ATOM 0 H LYS A 46 -0.200 -18.846 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.657 -16.481 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.233 -18.720 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.336 -17.382 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.735 -18.080 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.521 -19.337 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.220 -20.728 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.189 -19.995 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.030 -19.094 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.486 -20.231 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.176 -18.410 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.541 -18.175 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.220 -17.359 -2.851 1.00 0.00 H new ATOM 710 N HIS A 47 -0.172 -16.451 -0.650 1.00 0.00 N ATOM 711 CA HIS A 47 0.154 -15.595 0.528 1.00 0.00 C ATOM 712 C HIS A 47 1.325 -14.605 0.244 1.00 0.00 C ATOM 713 O HIS A 47 2.480 -14.996 0.052 1.00 0.00 O ATOM 714 CB HIS A 47 0.478 -16.506 1.746 1.00 0.00 C ATOM 715 CG HIS A 47 -0.738 -17.185 2.373 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.184 -18.448 2.038 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.604 -16.604 3.312 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.308 -18.519 2.819 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.666 -17.452 3.603 1.00 0.00 N ATOM 0 H HIS A 47 0.330 -17.339 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.717 -14.978 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.184 -17.274 1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.977 -15.907 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.464 -15.627 3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.912 -19.415 2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.471 -17.320 4.216 1.00 0.00 H new ATOM 727 N PHE A 48 1.013 -13.306 0.250 1.00 0.00 N ATOM 728 CA PHE A 48 1.992 -12.221 -0.012 1.00 0.00 C ATOM 729 C PHE A 48 2.294 -11.507 1.342 1.00 0.00 C ATOM 730 O PHE A 48 1.474 -10.728 1.841 1.00 0.00 O ATOM 731 CB PHE A 48 1.376 -11.264 -1.064 1.00 0.00 C ATOM 732 CG PHE A 48 1.386 -11.664 -2.556 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.794 -12.847 -3.021 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.874 -10.744 -3.489 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.713 -13.108 -4.387 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.775 -10.997 -4.852 1.00 0.00 C ATOM 737 CZ PHE A 48 1.197 -12.176 -5.301 1.00 0.00 C ATOM 0 H PHE A 48 0.070 -12.964 0.437 1.00 0.00 H new ATOM 0 HA PHE A 48 2.934 -12.597 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.338 -11.091 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.894 -10.309 -0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.398 -13.561 -2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.332 -9.828 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.276 -14.032 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.149 -10.275 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.123 -12.371 -6.361 1.00 0.00 H new ATOM 747 N LYS A 49 3.468 -11.779 1.938 1.00 0.00 N ATOM 748 CA LYS A 49 3.844 -11.218 3.272 1.00 0.00 C ATOM 749 C LYS A 49 4.518 -9.834 3.130 1.00 0.00 C ATOM 750 O LYS A 49 5.616 -9.739 2.575 1.00 0.00 O ATOM 751 CB LYS A 49 4.778 -12.191 4.040 1.00 0.00 C ATOM 752 CG LYS A 49 4.143 -13.549 4.392 1.00 0.00 C ATOM 753 CD LYS A 49 5.155 -14.569 4.954 1.00 0.00 C ATOM 754 CE LYS A 49 4.705 -16.040 4.868 1.00 0.00 C ATOM 755 NZ LYS A 49 3.522 -16.330 5.729 1.00 0.00 N ATOM 0 H LYS A 49 4.180 -12.382 1.527 1.00 0.00 H new ATOM 0 HA LYS A 49 2.925 -11.093 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.670 -12.367 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.105 -11.708 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.351 -13.393 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.675 -13.966 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.097 -14.460 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.354 -14.325 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.464 -16.282 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.531 -16.687 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.592 -17.299 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.496 -15.656 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.652 -16.237 5.167 1.00 0.00 H new ATOM 769 N PHE A 50 3.871 -8.775 3.636 1.00 0.00 N ATOM 770 CA PHE A 50 4.411 -7.391 3.531 1.00 0.00 C ATOM 771 C PHE A 50 4.978 -6.780 4.845 1.00 0.00 C ATOM 772 O PHE A 50 4.499 -7.062 5.948 1.00 0.00 O ATOM 773 CB PHE A 50 3.412 -6.453 2.785 1.00 0.00 C ATOM 774 CG PHE A 50 2.059 -5.995 3.387 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.933 -5.409 4.655 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.951 -5.987 2.537 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.726 -4.847 5.062 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.261 -5.443 2.945 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.373 -4.871 4.209 1.00 0.00 C ATOM 0 H PHE A 50 2.976 -8.838 4.122 1.00 0.00 H new ATOM 0 HA PHE A 50 5.308 -7.482 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.965 -5.545 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.178 -6.943 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.782 -5.394 5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.037 -6.410 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.643 -4.393 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.114 -5.464 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.313 -4.446 4.528 1.00 0.00 H new ATOM 789 N THR A 51 5.971 -5.887 4.686 1.00 0.00 N ATOM 790 CA THR A 51 6.524 -5.065 5.807 1.00 0.00 C ATOM 791 C THR A 51 6.539 -3.596 5.261 1.00 0.00 C ATOM 792 O THR A 51 7.476 -3.194 4.560 1.00 0.00 O ATOM 793 CB THR A 51 7.911 -5.582 6.311 1.00 0.00 C ATOM 794 OG1 THR A 51 7.932 -6.999 6.489 1.00 0.00 O ATOM 795 CG2 THR A 51 8.364 -4.971 7.637 1.00 0.00 C ATOM 0 H THR A 51 6.419 -5.706 3.787 1.00 0.00 H new ATOM 0 HA THR A 51 5.912 -5.131 6.707 1.00 0.00 H new ATOM 0 HB THR A 51 8.592 -5.272 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.764 -7.363 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.334 -5.383 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.446 -3.889 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.635 -5.204 8.413 1.00 0.00 H new ATOM 803 N ILE A 52 5.486 -2.801 5.543 1.00 0.00 N ATOM 804 CA ILE A 52 5.293 -1.449 4.923 1.00 0.00 C ATOM 805 C ILE A 52 5.635 -0.296 5.916 1.00 0.00 C ATOM 806 O ILE A 52 5.176 -0.259 7.059 1.00 0.00 O ATOM 807 CB ILE A 52 3.841 -1.315 4.326 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.436 -2.433 3.318 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.539 0.061 3.672 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.332 -2.622 2.082 1.00 0.00 C ATOM 0 H ILE A 52 4.748 -3.062 6.197 1.00 0.00 H new ATOM 0 HA ILE A 52 5.998 -1.354 4.097 1.00 0.00 H new ATOM 0 HB ILE A 52 3.232 -1.424 5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.402 -3.379 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.423 -2.226 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.519 0.065 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.650 0.850 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.236 0.235 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.937 -3.430 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.351 -1.700 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.344 -2.870 2.401 1.00 0.00 H new ATOM 822 N THR A 53 6.391 0.695 5.429 1.00 0.00 N ATOM 823 CA THR A 53 6.767 1.904 6.211 1.00 0.00 C ATOM 824 C THR A 53 5.754 3.067 5.954 1.00 0.00 C ATOM 825 O THR A 53 5.685 3.673 4.874 1.00 0.00 O ATOM 826 CB THR A 53 8.230 2.349 5.915 1.00 0.00 C ATOM 827 OG1 THR A 53 8.464 2.442 4.515 1.00 0.00 O ATOM 828 CG2 THR A 53 9.308 1.428 6.507 1.00 0.00 C ATOM 0 H THR A 53 6.766 0.692 4.480 1.00 0.00 H new ATOM 0 HA THR A 53 6.720 1.643 7.268 1.00 0.00 H new ATOM 0 HB THR A 53 8.317 3.321 6.400 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.826 1.592 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.295 1.813 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.201 1.393 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.193 0.424 6.098 1.00 0.00 H new ATOM 836 N ALA A 54 4.961 3.370 6.990 1.00 0.00 N ATOM 837 CA ALA A 54 4.038 4.535 7.013 1.00 0.00 C ATOM 838 C ALA A 54 4.699 5.726 7.775 1.00 0.00 C ATOM 839 O ALA A 54 4.308 6.092 8.888 1.00 0.00 O ATOM 840 CB ALA A 54 2.735 4.011 7.646 1.00 0.00 C ATOM 0 H ALA A 54 4.934 2.816 7.846 1.00 0.00 H new ATOM 0 HA ALA A 54 3.816 4.938 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.004 4.818 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.337 3.198 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.941 3.645 8.652 1.00 0.00 H new ATOM 846 N GLY A 55 5.735 6.319 7.147 1.00 0.00 N ATOM 847 CA GLY A 55 6.567 7.373 7.780 1.00 0.00 C ATOM 848 C GLY A 55 7.503 6.817 8.876 1.00 0.00 C ATOM 849 O GLY A 55 8.600 6.340 8.582 1.00 0.00 O ATOM 0 H GLY A 55 6.020 6.086 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.165 7.867 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.916 8.132 8.215 1.00 0.00 H new ATOM 853 N SER A 56 7.028 6.866 10.127 1.00 0.00 N ATOM 854 CA SER A 56 7.726 6.254 11.296 1.00 0.00 C ATOM 855 C SER A 56 7.230 4.806 11.654 1.00 0.00 C ATOM 856 O SER A 56 8.040 3.995 12.110 1.00 0.00 O ATOM 857 CB SER A 56 7.594 7.171 12.538 1.00 0.00 C ATOM 858 OG SER A 56 8.069 8.501 12.305 1.00 0.00 O ATOM 0 H SER A 56 6.152 7.327 10.371 1.00 0.00 H new ATOM 0 HA SER A 56 8.771 6.157 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.548 7.213 12.842 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.150 6.733 13.367 1.00 0.00 H new ATOM 0 HG SER A 56 7.960 9.035 13.120 1.00 0.00 H new ATOM 864 N LYS A 57 5.926 4.471 11.492 1.00 0.00 N ATOM 865 CA LYS A 57 5.379 3.137 11.865 1.00 0.00 C ATOM 866 C LYS A 57 5.635 2.026 10.791 1.00 0.00 C ATOM 867 O LYS A 57 5.342 2.192 9.602 1.00 0.00 O ATOM 868 CB LYS A 57 3.856 3.282 12.165 1.00 0.00 C ATOM 869 CG LYS A 57 3.231 2.045 12.866 1.00 0.00 C ATOM 870 CD LYS A 57 1.693 2.079 12.971 1.00 0.00 C ATOM 871 CE LYS A 57 1.155 0.805 13.655 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.327 0.764 13.598 1.00 0.00 N ATOM 0 H LYS A 57 5.229 5.107 11.104 1.00 0.00 H new ATOM 0 HA LYS A 57 5.913 2.803 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.702 4.160 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.327 3.463 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.526 1.148 12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.649 1.962 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.383 2.958 13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.259 2.172 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.567 -0.078 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.485 0.777 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.665 -0.139 13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.718 1.549 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.639 0.853 12.610 1.00 0.00 H new ATOM 886 N VAL A 58 6.115 0.860 11.255 1.00 0.00 N ATOM 887 CA VAL A 58 6.308 -0.345 10.396 1.00 0.00 C ATOM 888 C VAL A 58 5.000 -1.207 10.510 1.00 0.00 C ATOM 889 O VAL A 58 4.737 -1.829 11.545 1.00 0.00 O ATOM 890 CB VAL A 58 7.614 -1.112 10.800 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.847 -2.367 9.931 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.906 -0.262 10.698 1.00 0.00 C ATOM 0 H VAL A 58 6.382 0.715 12.229 1.00 0.00 H new ATOM 0 HA VAL A 58 6.457 -0.079 9.350 1.00 0.00 H new ATOM 0 HB VAL A 58 7.436 -1.377 11.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.763 -2.865 10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.005 -3.050 10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.937 -2.074 8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.763 -0.866 10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.039 0.076 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.826 0.602 11.357 1.00 0.00 H new ATOM 902 N ILE A 59 4.182 -1.224 9.445 1.00 0.00 N ATOM 903 CA ILE A 59 2.887 -1.967 9.401 1.00 0.00 C ATOM 904 C ILE A 59 3.143 -3.300 8.628 1.00 0.00 C ATOM 905 O ILE A 59 3.257 -3.308 7.396 1.00 0.00 O ATOM 906 CB ILE A 59 1.747 -1.081 8.770 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.510 0.257 9.535 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.403 -1.855 8.672 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.588 1.271 8.839 1.00 0.00 C ATOM 0 H ILE A 59 4.391 -0.724 8.581 1.00 0.00 H new ATOM 0 HA ILE A 59 2.531 -2.206 10.403 1.00 0.00 H new ATOM 0 HB ILE A 59 2.102 -0.836 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.090 0.025 10.514 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.476 0.731 9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.357 -1.210 8.232 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.536 -2.738 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.086 -2.161 9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.494 2.163 9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.011 1.544 7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.396 0.826 8.691 1.00 0.00 H new ATOM 921 N GLN A 60 3.216 -4.425 9.357 1.00 0.00 N ATOM 922 CA GLN A 60 3.479 -5.763 8.765 1.00 0.00 C ATOM 923 C GLN A 60 2.248 -6.716 8.893 1.00 0.00 C ATOM 924 O GLN A 60 1.766 -7.034 9.983 1.00 0.00 O ATOM 925 CB GLN A 60 4.820 -6.345 9.290 1.00 0.00 C ATOM 926 CG GLN A 60 4.948 -6.760 10.778 1.00 0.00 C ATOM 927 CD GLN A 60 4.955 -5.609 11.793 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.919 -5.128 12.240 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.104 -5.097 12.163 1.00 0.00 N ATOM 0 H GLN A 60 3.096 -4.442 10.370 1.00 0.00 H new ATOM 0 HA GLN A 60 3.613 -5.652 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.053 -7.222 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.596 -5.606 9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.123 -7.429 11.021 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.868 -7.332 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.975 -5.485 11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.127 -4.311 12.813 1.00 0.00 H new ATOM 938 N ASN A 61 1.734 -7.136 7.732 1.00 0.00 N ATOM 939 CA ASN A 61 0.563 -8.055 7.598 1.00 0.00 C ATOM 940 C ASN A 61 0.748 -8.914 6.292 1.00 0.00 C ATOM 941 O ASN A 61 1.562 -8.586 5.419 1.00 0.00 O ATOM 942 CB ASN A 61 -0.785 -7.266 7.549 1.00 0.00 C ATOM 943 CG ASN A 61 -1.292 -6.618 8.842 1.00 0.00 C ATOM 944 OD1 ASN A 61 -2.024 -7.211 9.628 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.971 -5.371 9.084 1.00 0.00 N ATOM 0 H ASN A 61 2.118 -6.849 6.831 1.00 0.00 H new ATOM 0 HA ASN A 61 0.519 -8.705 8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.684 -6.480 6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.557 -7.948 7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.329 -4.905 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.363 -4.866 8.439 1.00 0.00 H new ATOM 952 N GLU A 62 -0.004 -10.022 6.136 1.00 0.00 N ATOM 953 CA GLU A 62 0.065 -10.871 4.909 1.00 0.00 C ATOM 954 C GLU A 62 -1.311 -11.006 4.197 1.00 0.00 C ATOM 955 O GLU A 62 -2.327 -11.318 4.828 1.00 0.00 O ATOM 956 CB GLU A 62 0.787 -12.212 5.186 1.00 0.00 C ATOM 957 CG GLU A 62 0.065 -13.350 5.949 1.00 0.00 C ATOM 958 CD GLU A 62 0.944 -14.585 6.067 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.158 -15.289 5.055 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.513 -14.832 7.149 1.00 0.00 O ATOM 0 H GLU A 62 -0.666 -10.357 6.836 1.00 0.00 H new ATOM 0 HA GLU A 62 0.689 -10.354 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.096 -12.616 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.696 -11.979 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.213 -13.003 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.859 -13.608 5.432 1.00 0.00 H new ATOM 967 N PHE A 63 -1.335 -10.761 2.874 1.00 0.00 N ATOM 968 CA PHE A 63 -2.572 -10.867 2.056 1.00 0.00 C ATOM 969 C PHE A 63 -2.636 -12.162 1.205 1.00 0.00 C ATOM 970 O PHE A 63 -1.679 -12.558 0.533 1.00 0.00 O ATOM 971 CB PHE A 63 -2.869 -9.589 1.237 1.00 0.00 C ATOM 972 CG PHE A 63 -1.893 -9.178 0.122 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.784 -8.383 0.418 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.123 -9.571 -1.201 1.00 0.00 C ATOM 975 CE1 PHE A 63 0.073 -7.967 -0.598 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.278 -9.135 -2.218 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.185 -8.328 -1.914 1.00 0.00 C ATOM 0 H PHE A 63 -0.510 -10.486 2.340 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.387 -10.952 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.854 -9.708 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.938 -8.757 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.590 -8.089 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.958 -10.214 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.938 -7.364 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.470 -9.422 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.464 -7.982 -2.704 1.00 0.00 H new ATOM 987 N THR A 64 -3.817 -12.783 1.215 1.00 0.00 N ATOM 988 CA THR A 64 -4.087 -14.036 0.473 1.00 0.00 C ATOM 989 C THR A 64 -4.838 -13.667 -0.846 1.00 0.00 C ATOM 990 O THR A 64 -5.957 -13.147 -0.822 1.00 0.00 O ATOM 991 CB THR A 64 -4.879 -15.028 1.382 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.298 -15.140 2.678 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.935 -16.454 0.819 1.00 0.00 C ATOM 0 H THR A 64 -4.622 -12.437 1.737 1.00 0.00 H new ATOM 0 HA THR A 64 -3.164 -14.548 0.200 1.00 0.00 H new ATOM 0 HB THR A 64 -5.882 -14.603 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.934 -16.042 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.500 -17.092 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.423 -16.441 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.922 -16.843 0.713 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.230 -13.941 -2.011 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.857 -13.658 -3.342 1.00 0.00 C ATOM 1003 C VAL A 65 -5.951 -14.744 -3.612 1.00 0.00 C ATOM 1004 O VAL A 65 -5.647 -15.942 -3.681 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.758 -13.576 -4.454 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.273 -13.469 -5.909 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.776 -12.396 -4.252 1.00 0.00 C ATOM 0 H VAL A 65 -3.302 -14.360 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.350 -12.686 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.263 -14.539 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.425 -13.419 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.878 -14.344 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.879 -12.569 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.039 -12.394 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.329 -11.457 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.268 -12.505 -3.294 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.223 -14.328 -3.725 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.363 -15.280 -3.888 1.00 0.00 C ATOM 1019 C GLY A 66 -9.121 -15.774 -2.624 1.00 0.00 C ATOM 1020 O GLY A 66 -10.177 -16.379 -2.794 1.00 0.00 O ATOM 0 H GLY A 66 -7.499 -13.346 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.093 -14.809 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.985 -16.159 -4.409 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.602 -15.560 -1.399 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.329 -15.865 -0.126 1.00 0.00 C ATOM 1026 C GLU A 67 -9.167 -14.694 0.908 1.00 0.00 C ATOM 1027 O GLU A 67 -8.209 -13.918 0.853 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.839 -17.224 0.461 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.440 -18.496 -0.195 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.912 -18.798 0.076 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.609 -18.021 0.765 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.369 -19.848 -0.419 1.00 0.00 O ATOM 0 H GLU A 67 -7.670 -15.172 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.393 -15.957 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.754 -17.268 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.070 -17.243 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.306 -18.414 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.854 -19.354 0.135 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.108 -14.560 1.864 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.122 -13.445 2.860 1.00 0.00 C ATOM 1041 C GLU A 68 -8.803 -13.160 3.670 1.00 0.00 C ATOM 1042 O GLU A 68 -8.169 -14.071 4.212 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.358 -13.570 3.795 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.399 -14.803 4.738 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.940 -14.545 6.137 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.102 -14.120 6.294 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.181 -14.719 7.114 1.00 0.00 O ATOM 0 H GLU A 68 -10.882 -15.215 1.976 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.195 -12.553 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.412 -12.671 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.254 -13.587 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.008 -15.576 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.389 -15.203 4.827 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.408 -11.874 3.744 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.188 -11.438 4.474 1.00 0.00 C ATOM 1056 C CYS A 69 -7.377 -10.065 5.180 1.00 0.00 C ATOM 1057 O CYS A 69 -7.648 -9.034 4.556 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.964 -11.419 3.543 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.322 -10.677 1.910 1.00 0.00 S ATOM 0 H CYS A 69 -8.918 -11.108 3.304 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.010 -12.173 5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.159 -10.861 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.605 -12.439 3.402 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.016 -9.589 2.070 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.186 -10.086 6.505 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.315 -8.894 7.388 1.00 0.00 C ATOM 1067 C GLU A 70 -6.032 -8.000 7.409 1.00 0.00 C ATOM 1068 O GLU A 70 -4.961 -8.430 7.847 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.829 -9.303 8.794 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.016 -10.381 9.540 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.465 -10.636 10.965 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.599 -11.122 11.162 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.674 -10.355 11.892 1.00 0.00 O ATOM 0 H GLU A 70 -6.934 -10.935 7.011 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.076 -8.243 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.863 -8.410 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.854 -9.659 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.077 -11.315 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.967 -10.084 9.551 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.159 -6.743 6.948 1.00 0.00 N ATOM 1081 CA LEU A 71 -5.016 -5.787 6.843 1.00 0.00 C ATOM 1082 C LEU A 71 -5.333 -4.449 7.586 1.00 0.00 C ATOM 1083 O LEU A 71 -6.446 -3.919 7.490 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.701 -5.505 5.342 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.449 -6.710 4.391 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.212 -6.211 2.959 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.272 -7.603 4.821 1.00 0.00 C ATOM 0 H LEU A 71 -7.048 -6.352 6.636 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.145 -6.239 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.531 -4.929 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.820 -4.865 5.304 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.347 -7.326 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.037 -7.062 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.088 -5.662 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.342 -5.554 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.158 -8.421 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.356 -7.012 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.467 -8.009 5.814 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.355 -3.873 8.310 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.542 -2.574 9.027 1.00 0.00 C ATOM 1101 C GLU A 72 -4.702 -1.344 8.062 1.00 0.00 C ATOM 1102 O GLU A 72 -4.052 -1.211 7.020 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.335 -2.402 9.993 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.482 -1.255 11.029 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.221 -0.927 11.805 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.441 -0.057 11.357 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.016 -1.464 12.913 1.00 0.00 O ATOM 0 H GLU A 72 -3.425 -4.277 8.421 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.480 -2.603 9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.182 -3.338 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.437 -2.224 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.815 -0.357 10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.267 -1.523 11.737 1.00 0.00 H new ATOM 1114 N THR A 73 -5.609 -0.451 8.467 1.00 0.00 N ATOM 1115 CA THR A 73 -5.950 0.809 7.750 1.00 0.00 C ATOM 1116 C THR A 73 -5.528 2.069 8.574 1.00 0.00 C ATOM 1117 O THR A 73 -5.280 2.028 9.784 1.00 0.00 O ATOM 1118 CB THR A 73 -7.479 0.779 7.397 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.924 2.007 6.826 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.449 0.483 8.551 1.00 0.00 C ATOM 0 H THR A 73 -6.148 -0.575 9.324 1.00 0.00 H new ATOM 0 HA THR A 73 -5.386 0.879 6.820 1.00 0.00 H new ATOM 0 HB THR A 73 -7.516 -0.057 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.615 2.402 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.473 0.491 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.224 -0.496 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.339 1.245 9.323 1.00 0.00 H new ATOM 1128 N MET A 74 -5.481 3.218 7.880 1.00 0.00 N ATOM 1129 CA MET A 74 -5.268 4.549 8.533 1.00 0.00 C ATOM 1130 C MET A 74 -6.544 4.989 9.324 1.00 0.00 C ATOM 1131 O MET A 74 -6.475 5.166 10.543 1.00 0.00 O ATOM 1132 CB MET A 74 -4.794 5.600 7.490 1.00 0.00 C ATOM 1133 CG MET A 74 -3.314 5.505 7.089 1.00 0.00 C ATOM 1134 SD MET A 74 -2.264 5.804 8.527 1.00 0.00 S ATOM 1135 CE MET A 74 -1.508 4.183 8.725 1.00 0.00 C ATOM 0 H MET A 74 -5.586 3.267 6.867 1.00 0.00 H new ATOM 0 HA MET A 74 -4.469 4.465 9.269 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.404 5.498 6.592 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.982 6.596 7.891 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.104 4.519 6.674 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.093 6.233 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.828 4.200 9.576 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.285 3.438 8.896 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.953 3.928 7.822 1.00 0.00 H new ATOM 1145 N THR A 75 -7.698 5.138 8.645 1.00 0.00 N ATOM 1146 CA THR A 75 -9.009 5.352 9.317 1.00 0.00 C ATOM 1147 C THR A 75 -9.704 3.951 9.381 1.00 0.00 C ATOM 1148 O THR A 75 -9.927 3.293 8.352 1.00 0.00 O ATOM 1149 CB THR A 75 -9.879 6.407 8.577 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.165 7.631 8.438 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.189 6.767 9.296 1.00 0.00 C ATOM 0 H THR A 75 -7.756 5.115 7.627 1.00 0.00 H new ATOM 0 HA THR A 75 -8.870 5.759 10.319 1.00 0.00 H new ATOM 0 HB THR A 75 -10.115 5.938 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.782 8.384 8.547 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.733 7.509 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.801 5.872 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.963 7.176 10.281 1.00 0.00 H new ATOM 1159 N GLY A 76 -10.010 3.498 10.603 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.708 2.208 10.835 1.00 0.00 C ATOM 1161 C GLY A 76 -10.136 1.308 11.945 1.00 0.00 C ATOM 1162 O GLY A 76 -10.187 1.673 13.121 1.00 0.00 O ATOM 0 H GLY A 76 -9.787 4.005 11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.750 2.422 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.703 1.644 9.902 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.652 0.111 11.567 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.295 -0.975 12.518 1.00 0.00 C ATOM 1168 C GLU A 77 -8.441 -2.053 11.775 1.00 0.00 C ATOM 1169 O GLU A 77 -7.209 -2.054 11.848 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.539 -1.490 13.322 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.740 -2.176 12.608 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.363 -1.495 11.392 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.912 -1.746 10.251 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.310 -0.695 11.544 1.00 0.00 O ATOM 0 H GLU A 77 -9.494 -0.138 10.591 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.652 -0.595 13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.167 -2.196 14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.940 -0.636 13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.416 -3.170 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.528 -2.314 13.348 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.110 -2.951 11.038 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.486 -4.050 10.269 1.00 0.00 C ATOM 1183 C LYS A 78 -9.522 -4.538 9.213 1.00 0.00 C ATOM 1184 O LYS A 78 -10.561 -5.115 9.550 1.00 0.00 O ATOM 1185 CB LYS A 78 -8.005 -5.185 11.221 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.671 -5.798 10.767 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.208 -6.941 11.689 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.856 -7.537 11.259 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.612 -8.781 12.034 1.00 0.00 N ATOM 0 H LYS A 78 -10.126 -2.937 10.955 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.592 -3.706 9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.896 -4.788 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.765 -5.965 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.775 -6.175 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.907 -5.021 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.129 -6.569 12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.963 -7.728 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.862 -7.753 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.054 -6.820 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.634 -9.100 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.759 -8.594 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.272 -9.521 11.720 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.234 -4.291 7.928 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.172 -4.583 6.811 1.00 0.00 C ATOM 1205 C VAL A 79 -9.897 -5.957 6.123 1.00 0.00 C ATOM 1206 O VAL A 79 -8.764 -6.242 5.719 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.145 -3.357 5.835 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.846 -3.133 5.030 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.325 -3.356 4.847 1.00 0.00 C ATOM 0 H VAL A 79 -8.349 -3.884 7.623 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.185 -4.704 7.195 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.219 -2.528 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.959 -2.255 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.014 -2.979 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.647 -4.007 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.254 -2.484 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.295 -4.263 4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.263 -3.320 5.401 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.944 -6.793 5.958 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.830 -8.072 5.195 1.00 0.00 C ATOM 1221 C LYS A 80 -11.000 -7.779 3.668 1.00 0.00 C ATOM 1222 O LYS A 80 -12.099 -7.795 3.109 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.768 -9.166 5.773 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.225 -9.786 7.084 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.962 -11.057 7.538 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.300 -11.703 8.774 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.889 -13.050 8.989 1.00 0.00 N ATOM 0 H LYS A 80 -11.874 -6.615 6.336 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.834 -8.500 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.751 -8.734 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.901 -9.954 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.169 -10.021 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.288 -9.041 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.998 -10.811 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.980 -11.777 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.223 -11.782 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.456 -11.079 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.840 -13.293 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.882 -13.048 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.357 -13.753 8.437 1.00 0.00 H new ATOM 1241 N THR A 81 -9.860 -7.483 3.026 1.00 0.00 N ATOM 1242 CA THR A 81 -9.773 -7.032 1.611 1.00 0.00 C ATOM 1243 C THR A 81 -9.061 -8.122 0.754 1.00 0.00 C ATOM 1244 O THR A 81 -7.837 -8.281 0.822 1.00 0.00 O ATOM 1245 CB THR A 81 -9.069 -5.632 1.610 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.096 -5.027 0.325 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.607 -5.598 2.096 1.00 0.00 C ATOM 0 H THR A 81 -8.948 -7.549 3.478 1.00 0.00 H new ATOM 0 HA THR A 81 -10.752 -6.906 1.148 1.00 0.00 H new ATOM 0 HB THR A 81 -9.664 -5.081 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.649 -5.612 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.232 -4.576 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.557 -5.956 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.997 -6.238 1.459 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.811 -8.887 -0.061 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.190 -9.917 -0.954 1.00 0.00 C ATOM 1257 C VAL A 82 -8.623 -9.248 -2.247 1.00 0.00 C ATOM 1258 O VAL A 82 -9.232 -8.347 -2.838 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.072 -11.185 -1.184 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.267 -11.066 -2.141 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.238 -12.341 -1.752 1.00 0.00 C ATOM 0 H VAL A 82 -10.827 -8.824 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.334 -10.339 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.464 -11.347 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.783 -12.024 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.955 -10.305 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.913 -10.784 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.877 -13.211 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.803 -12.041 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.441 -12.593 -1.052 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.423 -9.679 -2.649 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.684 -9.072 -3.787 1.00 0.00 C ATOM 1273 C VAL A 83 -6.732 -10.032 -5.020 1.00 0.00 C ATOM 1274 O VAL A 83 -6.477 -11.233 -4.896 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.228 -8.689 -3.332 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.543 -7.768 -4.359 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.092 -7.979 -1.955 1.00 0.00 C ATOM 0 H VAL A 83 -6.929 -10.453 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.158 -8.143 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.754 -9.667 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.539 -7.522 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.482 -8.277 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.123 -6.852 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.041 -7.768 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.653 -7.045 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.487 -8.626 -1.172 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.076 -9.506 -6.208 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.087 -10.288 -7.481 1.00 0.00 C ATOM 1289 C GLN A 84 -5.846 -9.896 -8.343 1.00 0.00 C ATOM 1290 O GLN A 84 -5.499 -8.717 -8.476 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.416 -10.061 -8.252 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.628 -10.943 -7.848 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.129 -10.826 -6.402 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.730 -9.840 -5.991 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.912 -11.833 -5.590 1.00 0.00 N ATOM 0 H GLN A 84 -7.355 -8.532 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.025 -11.352 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.703 -9.016 -8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.222 -10.218 -9.313 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.457 -10.703 -8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.364 -11.985 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.413 -12.658 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.242 -11.791 -4.626 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.199 -10.906 -8.944 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.949 -10.733 -9.722 1.00 0.00 C ATOM 1306 C LEU A 85 -4.135 -10.987 -11.254 1.00 0.00 C ATOM 1307 O LEU A 85 -4.590 -12.060 -11.662 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.918 -11.707 -9.076 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.507 -11.755 -9.710 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.793 -10.392 -9.706 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.632 -12.799 -8.997 1.00 0.00 C ATOM 0 H LEU A 85 -5.524 -11.872 -8.908 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.605 -9.700 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.809 -11.437 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.337 -12.713 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.652 -12.038 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.191 -10.495 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.383 -9.671 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.680 -10.043 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.357 -12.819 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.538 -12.536 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.094 -13.782 -9.086 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.718 -10.015 -12.085 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.677 -10.167 -13.568 1.00 0.00 C ATOM 1325 C GLU A 86 -2.182 -10.179 -14.047 1.00 0.00 C ATOM 1326 O GLU A 86 -1.379 -9.297 -13.711 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.487 -9.031 -14.238 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.757 -9.184 -15.758 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.324 -7.929 -16.408 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.543 -7.689 -16.292 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.549 -7.179 -17.043 1.00 0.00 O ATOM 0 H GLU A 86 -3.399 -9.103 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.135 -11.112 -13.861 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.446 -8.947 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.957 -8.092 -14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.827 -9.453 -16.258 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.452 -10.009 -15.913 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.828 -11.217 -14.823 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.473 -11.378 -15.443 1.00 0.00 C ATOM 1340 C GLY A 87 0.833 -11.329 -14.615 1.00 0.00 C ATOM 1341 O GLY A 87 1.881 -10.960 -15.146 1.00 0.00 O ATOM 0 H GLY A 87 -2.467 -11.980 -15.048 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.479 -12.338 -15.959 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.386 -10.606 -16.207 1.00 0.00 H new ATOM 1345 N ASP A 88 0.752 -11.700 -13.335 1.00 0.00 N ATOM 1346 CA ASP A 88 1.865 -11.544 -12.341 1.00 0.00 C ATOM 1347 C ASP A 88 2.392 -10.067 -12.113 1.00 0.00 C ATOM 1348 O ASP A 88 3.531 -9.854 -11.687 1.00 0.00 O ATOM 1349 CB ASP A 88 2.950 -12.647 -12.526 1.00 0.00 C ATOM 1350 CG ASP A 88 3.824 -12.940 -11.297 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.297 -12.976 -10.161 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.042 -13.159 -11.466 1.00 0.00 O ATOM 0 H ASP A 88 -0.086 -12.123 -12.937 1.00 0.00 H new ATOM 0 HA ASP A 88 1.424 -11.729 -11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.454 -13.571 -12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.601 -12.355 -13.350 1.00 0.00 H new ATOM 1357 N ASN A 89 1.546 -9.036 -12.340 1.00 0.00 N ATOM 1358 CA ASN A 89 1.925 -7.607 -12.146 1.00 0.00 C ATOM 1359 C ASN A 89 0.804 -6.647 -11.630 1.00 0.00 C ATOM 1360 O ASN A 89 1.154 -5.667 -10.972 1.00 0.00 O ATOM 1361 CB ASN A 89 2.699 -7.054 -13.376 1.00 0.00 C ATOM 1362 CG ASN A 89 1.901 -6.510 -14.572 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.945 -7.100 -15.063 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.264 -5.350 -15.067 1.00 0.00 N ATOM 0 H ASN A 89 0.586 -9.164 -12.661 1.00 0.00 H new ATOM 0 HA ASN A 89 2.606 -7.623 -11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.350 -6.254 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.344 -7.851 -13.745 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.752 -4.948 -15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.058 -4.850 -14.666 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.494 -6.864 -11.918 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.588 -5.947 -11.479 1.00 0.00 C ATOM 1373 C LYS A 90 -2.392 -6.567 -10.293 1.00 0.00 C ATOM 1374 O LYS A 90 -3.139 -7.532 -10.480 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.543 -5.675 -12.673 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.965 -4.953 -13.912 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.898 -5.113 -15.132 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.335 -4.616 -16.474 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.329 -3.129 -16.553 1.00 0.00 N ATOM 0 H LYS A 90 -0.821 -7.667 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.143 -5.011 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.948 -6.632 -13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.381 -5.085 -12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.829 -3.895 -13.690 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.981 -5.358 -14.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.153 -6.168 -15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.826 -4.579 -14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.320 -4.991 -16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.932 -5.021 -17.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.292 -2.834 -17.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.194 -2.755 -16.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.497 -2.758 -16.051 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.262 -5.994 -9.089 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.003 -6.447 -7.877 1.00 0.00 C ATOM 1395 C LEU A 91 -4.167 -5.455 -7.559 1.00 0.00 C ATOM 1396 O LEU A 91 -3.925 -4.294 -7.212 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.003 -6.535 -6.693 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.063 -7.763 -6.631 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.029 -7.528 -5.523 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.788 -9.092 -6.352 1.00 0.00 C ATOM 0 H LEU A 91 -1.643 -5.202 -8.915 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.444 -7.429 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.382 -5.639 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.577 -6.506 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.603 -7.858 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.643 -8.384 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.547 -6.630 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.540 -7.403 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.061 -9.904 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.302 -9.032 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.515 -9.283 -7.142 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.428 -5.911 -7.649 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.629 -5.039 -7.436 1.00 0.00 C ATOM 1414 C VAL A 92 -7.469 -5.491 -6.192 1.00 0.00 C ATOM 1415 O VAL A 92 -7.816 -6.671 -6.073 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.491 -4.909 -8.744 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.729 -4.241 -9.913 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.138 -6.213 -9.269 1.00 0.00 C ATOM 0 H VAL A 92 -5.658 -6.880 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.268 -4.036 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.302 -4.266 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.380 -4.182 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.422 -3.237 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.847 -4.833 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.707 -5.998 -10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.359 -6.941 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.805 -6.620 -8.509 1.00 0.00 H new ATOM 1428 N THR A 93 -7.821 -4.562 -5.272 1.00 0.00 N ATOM 1429 CA THR A 93 -8.659 -4.889 -4.071 1.00 0.00 C ATOM 1430 C THR A 93 -9.702 -3.774 -3.707 1.00 0.00 C ATOM 1431 O THR A 93 -9.700 -2.654 -4.238 1.00 0.00 O ATOM 1432 CB THR A 93 -7.769 -5.372 -2.876 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.560 -6.099 -1.940 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.995 -4.304 -2.084 1.00 0.00 C ATOM 0 H THR A 93 -7.544 -3.582 -5.329 1.00 0.00 H new ATOM 0 HA THR A 93 -9.291 -5.737 -4.337 1.00 0.00 H new ATOM 0 HB THR A 93 -7.010 -5.974 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.075 -6.787 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.424 -4.783 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.314 -3.777 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.698 -3.594 -1.648 1.00 0.00 H new ATOM 1442 N THR A 94 -10.653 -4.137 -2.831 1.00 0.00 N ATOM 1443 CA THR A 94 -11.712 -3.222 -2.304 1.00 0.00 C ATOM 1444 C THR A 94 -11.431 -3.041 -0.776 1.00 0.00 C ATOM 1445 O THR A 94 -11.738 -3.925 0.031 1.00 0.00 O ATOM 1446 CB THR A 94 -13.130 -3.810 -2.593 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.330 -4.061 -3.982 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.287 -2.888 -2.173 1.00 0.00 C ATOM 0 H THR A 94 -10.720 -5.083 -2.456 1.00 0.00 H new ATOM 0 HA THR A 94 -11.690 -2.249 -2.794 1.00 0.00 H new ATOM 0 HB THR A 94 -13.147 -4.726 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.969 -3.412 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.238 -3.368 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.230 -2.698 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.214 -1.944 -2.713 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.850 -1.895 -0.389 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.417 -1.628 1.014 1.00 0.00 C ATOM 1458 C PHE A 95 -11.581 -0.982 1.864 1.00 0.00 C ATOM 1459 O PHE A 95 -12.725 -1.443 1.793 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.102 -0.801 0.810 1.00 0.00 C ATOM 1461 CG PHE A 95 -8.053 -0.850 1.923 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.174 -1.933 1.966 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.906 0.190 2.847 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.216 -2.022 2.972 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.932 0.111 3.839 1.00 0.00 C ATOM 1466 CZ PHE A 95 -6.104 -1.006 3.917 1.00 0.00 C ATOM 0 H PHE A 95 -10.662 -1.123 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.200 -2.502 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.630 -1.143 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.381 0.242 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.237 -2.706 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.549 1.056 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.560 -2.879 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.819 0.917 4.549 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.375 -1.084 4.710 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.332 0.064 2.682 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.407 0.798 3.428 1.00 0.00 C ATOM 1478 C LYS A 96 -13.042 1.860 2.463 1.00 0.00 C ATOM 1479 O LYS A 96 -12.688 3.043 2.496 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.813 1.474 4.702 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.188 0.588 5.805 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.147 -0.214 6.716 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.977 0.627 7.705 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.569 -0.268 8.740 1.00 0.00 N ATOM 0 H LYS A 96 -10.395 0.429 2.850 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.181 0.105 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.048 2.177 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.608 2.060 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.513 -0.120 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.577 1.228 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.831 -0.781 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.562 -0.938 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.347 1.380 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.766 1.159 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.848 0.296 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.406 -0.746 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.867 -0.979 9.027 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.945 1.427 1.556 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.510 2.277 0.463 1.00 0.00 C ATOM 1500 C ASN A 97 -13.458 2.934 -0.522 1.00 0.00 C ATOM 1501 O ASN A 97 -13.679 4.017 -1.069 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.570 3.254 1.040 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.772 2.633 1.768 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.738 2.360 2.963 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.865 2.383 1.088 1.00 0.00 N ATOM 0 H ASN A 97 -14.310 0.474 1.554 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.022 1.600 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.067 3.928 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.949 3.864 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.672 1.967 1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.909 2.604 0.093 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.331 2.239 -0.773 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.195 2.727 -1.611 1.00 0.00 C ATOM 1514 C ILE A 98 -10.832 1.562 -2.592 1.00 0.00 C ATOM 1515 O ILE A 98 -10.595 0.422 -2.164 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.958 3.116 -0.712 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.215 4.197 0.385 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.715 3.556 -1.532 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.501 3.914 1.719 1.00 0.00 C ATOM 0 H ILE A 98 -12.172 1.304 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.473 3.626 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.766 2.173 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.890 5.167 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.287 4.269 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.902 3.809 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.402 2.741 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.967 4.427 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.728 4.709 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.844 2.960 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.424 3.872 1.554 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.743 1.843 -3.905 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.292 0.831 -4.898 1.00 0.00 C ATOM 1533 C LYS A 99 -8.738 0.935 -5.055 1.00 0.00 C ATOM 1534 O LYS A 99 -8.219 1.848 -5.713 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.104 1.004 -6.208 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.862 -0.100 -7.277 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.106 -0.934 -7.664 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.770 -1.765 -6.546 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.910 -2.890 -6.089 1.00 0.00 N ATOM 0 H LYS A 99 -10.973 2.751 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.489 -0.189 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.165 1.024 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.860 1.972 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.467 0.370 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.092 -0.777 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.855 -0.255 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.821 -1.614 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.995 -1.116 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.720 -2.160 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.449 -3.497 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.604 -3.449 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.075 -2.511 -5.598 1.00 0.00 H new ATOM 1553 N SER A 100 -8.011 0.000 -4.415 1.00 0.00 N ATOM 1554 CA SER A 100 -6.525 -0.026 -4.433 1.00 0.00 C ATOM 1555 C SER A 100 -5.987 -0.869 -5.624 1.00 0.00 C ATOM 1556 O SER A 100 -6.218 -2.080 -5.702 1.00 0.00 O ATOM 1557 CB SER A 100 -6.034 -0.544 -3.063 1.00 0.00 C ATOM 1558 OG SER A 100 -4.611 -0.458 -2.956 1.00 0.00 O ATOM 0 H SER A 100 -8.428 -0.757 -3.873 1.00 0.00 H new ATOM 0 HA SER A 100 -6.132 0.979 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.497 0.037 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.349 -1.579 -2.929 1.00 0.00 H new ATOM 0 HG SER A 100 -4.328 -0.791 -2.079 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.269 -0.203 -6.538 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.691 -0.826 -7.762 1.00 0.00 C ATOM 1566 C VAL A 101 -3.136 -0.758 -7.622 1.00 0.00 C ATOM 1567 O VAL A 101 -2.544 0.319 -7.758 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.228 -0.071 -9.033 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.568 -0.539 -10.351 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.763 -0.154 -9.222 1.00 0.00 C ATOM 0 H VAL A 101 -5.065 0.793 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.985 -1.869 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.952 0.963 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.985 0.023 -11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.493 -0.369 -10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.760 -1.602 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.049 0.392 -10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.061 -1.198 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.260 0.285 -8.357 1.00 0.00 H new ATOM 1580 N THR A 102 -2.467 -1.895 -7.374 1.00 0.00 N ATOM 1581 CA THR A 102 -0.983 -1.939 -7.221 1.00 0.00 C ATOM 1582 C THR A 102 -0.348 -2.575 -8.502 1.00 0.00 C ATOM 1583 O THR A 102 -0.521 -3.779 -8.724 1.00 0.00 O ATOM 1584 CB THR A 102 -0.569 -2.655 -5.897 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.348 -2.227 -4.780 1.00 0.00 O ATOM 1586 CG2 THR A 102 0.906 -2.437 -5.534 1.00 0.00 C ATOM 0 H THR A 102 -2.920 -2.803 -7.273 1.00 0.00 H new ATOM 0 HA THR A 102 -0.591 -0.926 -7.132 1.00 0.00 H new ATOM 0 HB THR A 102 -0.745 -3.712 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.776 -1.743 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.133 -2.959 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.538 -2.826 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.096 -1.371 -5.407 1.00 0.00 H new ATOM 1594 N GLU A 103 0.371 -1.796 -9.345 1.00 0.00 N ATOM 1595 CA GLU A 103 0.976 -2.330 -10.600 1.00 0.00 C ATOM 1596 C GLU A 103 2.532 -2.401 -10.538 1.00 0.00 C ATOM 1597 O GLU A 103 3.210 -1.455 -10.126 1.00 0.00 O ATOM 1598 CB GLU A 103 0.520 -1.495 -11.824 1.00 0.00 C ATOM 1599 CG GLU A 103 0.766 -2.200 -13.186 1.00 0.00 C ATOM 1600 CD GLU A 103 0.260 -1.444 -14.396 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.940 -0.496 -14.839 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.803 -1.822 -14.933 1.00 0.00 O ATOM 0 H GLU A 103 0.548 -0.804 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 103 0.617 -3.353 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.543 -1.273 -11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.047 -0.541 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.836 -2.369 -13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.289 -3.180 -13.163 1.00 0.00 H new ATOM 1609 N LEU A 104 3.086 -3.518 -11.026 1.00 0.00 N ATOM 1610 CA LEU A 104 4.551 -3.733 -11.121 1.00 0.00 C ATOM 1611 C LEU A 104 5.011 -3.538 -12.603 1.00 0.00 C ATOM 1612 O LEU A 104 4.617 -4.294 -13.498 1.00 0.00 O ATOM 1613 CB LEU A 104 4.897 -5.142 -10.551 1.00 0.00 C ATOM 1614 CG LEU A 104 6.162 -5.225 -9.663 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.371 -6.678 -9.224 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.446 -4.732 -10.349 1.00 0.00 C ATOM 0 H LEU A 104 2.536 -4.306 -11.369 1.00 0.00 H new ATOM 0 HA LEU A 104 5.095 -3.001 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.046 -5.495 -9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.019 -5.830 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 104 5.984 -4.562 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.261 -6.745 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.503 -7.016 -8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.498 -7.309 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.285 -4.824 -9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.638 -5.334 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.326 -3.688 -10.638 1.00 0.00 H new ATOM 1628 N ASN A 105 5.837 -2.516 -12.876 1.00 0.00 N ATOM 1629 CA ASN A 105 6.358 -2.241 -14.248 1.00 0.00 C ATOM 1630 C ASN A 105 7.867 -2.640 -14.314 1.00 0.00 C ATOM 1631 O ASN A 105 8.763 -1.812 -14.118 1.00 0.00 O ATOM 1632 CB ASN A 105 6.055 -0.757 -14.603 1.00 0.00 C ATOM 1633 CG ASN A 105 4.608 -0.484 -15.040 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.280 -0.549 -16.219 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.709 -0.190 -14.130 1.00 0.00 N ATOM 0 H ASN A 105 6.166 -1.857 -12.170 1.00 0.00 H new ATOM 0 HA ASN A 105 5.863 -2.844 -15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.281 -0.137 -13.736 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.727 -0.444 -15.403 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.742 -0.017 -14.405 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.977 -0.135 -13.147 1.00 0.00 H new ATOM 1642 N GLY A 106 8.143 -3.935 -14.574 1.00 0.00 N ATOM 1643 CA GLY A 106 9.532 -4.479 -14.593 1.00 0.00 C ATOM 1644 C GLY A 106 10.088 -4.716 -13.174 1.00 0.00 C ATOM 1645 O GLY A 106 9.790 -5.740 -12.556 1.00 0.00 O ATOM 0 H GLY A 106 7.425 -4.631 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.545 -5.418 -15.147 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.184 -3.786 -15.125 1.00 0.00 H new ATOM 1649 N ASP A 107 10.869 -3.749 -12.673 1.00 0.00 N ATOM 1650 CA ASP A 107 11.362 -3.746 -11.259 1.00 0.00 C ATOM 1651 C ASP A 107 11.010 -2.421 -10.471 1.00 0.00 C ATOM 1652 O ASP A 107 11.730 -2.004 -9.555 1.00 0.00 O ATOM 1653 CB ASP A 107 12.870 -4.123 -11.246 1.00 0.00 C ATOM 1654 CG ASP A 107 13.186 -5.597 -11.524 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.614 -6.486 -10.851 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.028 -5.870 -12.402 1.00 0.00 O ATOM 0 H ASP A 107 11.183 -2.946 -13.219 1.00 0.00 H new ATOM 0 HA ASP A 107 10.824 -4.509 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.385 -3.513 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.284 -3.858 -10.273 1.00 0.00 H new ATOM 1661 N ILE A 108 9.868 -1.774 -10.786 1.00 0.00 N ATOM 1662 CA ILE A 108 9.343 -0.581 -10.066 1.00 0.00 C ATOM 1663 C ILE A 108 7.831 -0.842 -9.777 1.00 0.00 C ATOM 1664 O ILE A 108 7.057 -1.163 -10.688 1.00 0.00 O ATOM 1665 CB ILE A 108 9.642 0.798 -10.735 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.859 1.103 -12.034 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.150 1.073 -10.941 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.571 1.905 -11.792 1.00 0.00 C ATOM 0 H ILE A 108 9.271 -2.066 -11.560 1.00 0.00 H new ATOM 0 HA ILE A 108 9.890 -0.471 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 108 9.261 1.495 -9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.502 1.659 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.607 0.164 -12.527 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.281 2.048 -11.410 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.657 1.063 -9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.576 0.302 -11.582 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.070 2.085 -12.743 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.909 1.341 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.818 2.859 -11.326 1.00 0.00 H new ATOM 1680 N ILE A 109 7.401 -0.702 -8.517 1.00 0.00 N ATOM 1681 CA ILE A 109 5.986 -0.931 -8.109 1.00 0.00 C ATOM 1682 C ILE A 109 5.245 0.411 -7.829 1.00 0.00 C ATOM 1683 O ILE A 109 5.765 1.293 -7.136 1.00 0.00 O ATOM 1684 CB ILE A 109 5.940 -1.949 -6.911 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.527 -2.569 -6.729 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.457 -1.372 -5.563 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.499 -3.827 -5.845 1.00 0.00 C ATOM 0 H ILE A 109 8.011 -0.429 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 109 5.437 -1.385 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 109 6.637 -2.738 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.867 -1.819 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.123 -2.819 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.391 -2.138 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.495 -1.058 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.848 -0.515 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.476 -4.196 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.131 -4.597 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.870 -3.581 -4.850 1.00 0.00 H new ATOM 1699 N THR A 110 4.016 0.554 -8.353 1.00 0.00 N ATOM 1700 CA THR A 110 3.148 1.728 -8.057 1.00 0.00 C ATOM 1701 C THR A 110 1.898 1.289 -7.250 1.00 0.00 C ATOM 1702 O THR A 110 1.194 0.374 -7.673 1.00 0.00 O ATOM 1703 CB THR A 110 2.800 2.551 -9.334 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.456 3.892 -8.977 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.670 2.032 -10.232 1.00 0.00 C ATOM 0 H THR A 110 3.592 -0.125 -8.986 1.00 0.00 H new ATOM 0 HA THR A 110 3.713 2.415 -7.427 1.00 0.00 H new ATOM 0 HB THR A 110 3.715 2.464 -9.921 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.539 4.004 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.541 2.705 -11.080 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.922 1.035 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.743 1.986 -9.661 1.00 0.00 H new ATOM 1713 N ASN A 111 1.597 1.950 -6.124 1.00 0.00 N ATOM 1714 CA ASN A 111 0.382 1.645 -5.317 1.00 0.00 C ATOM 1715 C ASN A 111 -0.632 2.810 -5.502 1.00 0.00 C ATOM 1716 O ASN A 111 -0.451 3.884 -4.922 1.00 0.00 O ATOM 1717 CB ASN A 111 0.803 1.390 -3.849 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.280 0.700 -3.022 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.490 -0.502 -3.125 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.024 1.423 -2.224 1.00 0.00 N ATOM 0 H ASN A 111 2.171 2.701 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.120 0.736 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.705 0.778 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.058 2.341 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.775 0.985 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.853 2.425 -2.135 1.00 0.00 H new ATOM 1727 N THR A 112 -1.677 2.593 -6.320 1.00 0.00 N ATOM 1728 CA THR A 112 -2.678 3.644 -6.662 1.00 0.00 C ATOM 1729 C THR A 112 -4.008 3.417 -5.874 1.00 0.00 C ATOM 1730 O THR A 112 -4.856 2.601 -6.251 1.00 0.00 O ATOM 1731 CB THR A 112 -2.868 3.667 -8.211 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.612 3.698 -8.887 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.644 4.883 -8.726 1.00 0.00 C ATOM 0 H THR A 112 -1.859 1.694 -6.765 1.00 0.00 H new ATOM 0 HA THR A 112 -2.323 4.628 -6.357 1.00 0.00 H new ATOM 0 HB THR A 112 -3.431 2.757 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.762 3.710 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.733 4.825 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.639 4.895 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.113 5.795 -8.454 1.00 0.00 H new ATOM 1741 N MET A 113 -4.186 4.160 -4.772 1.00 0.00 N ATOM 1742 CA MET A 113 -5.408 4.100 -3.922 1.00 0.00 C ATOM 1743 C MET A 113 -6.442 5.160 -4.401 1.00 0.00 C ATOM 1744 O MET A 113 -6.330 6.360 -4.128 1.00 0.00 O ATOM 1745 CB MET A 113 -5.002 4.271 -2.438 1.00 0.00 C ATOM 1746 CG MET A 113 -4.494 2.978 -1.781 1.00 0.00 C ATOM 1747 SD MET A 113 -3.900 3.327 -0.121 1.00 0.00 S ATOM 1748 CE MET A 113 -3.695 1.640 0.465 1.00 0.00 C ATOM 0 H MET A 113 -3.490 4.825 -4.435 1.00 0.00 H new ATOM 0 HA MET A 113 -5.896 3.130 -4.016 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.225 5.032 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.860 4.640 -1.876 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.296 2.240 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.692 2.546 -2.380 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.076 1.560 1.483 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.247 0.960 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.638 1.376 0.451 1.00 0.00 H new ATOM 1758 N THR A 114 -7.457 4.675 -5.127 1.00 0.00 N ATOM 1759 CA THR A 114 -8.500 5.534 -5.753 1.00 0.00 C ATOM 1760 C THR A 114 -9.759 5.661 -4.837 1.00 0.00 C ATOM 1761 O THR A 114 -10.504 4.698 -4.619 1.00 0.00 O ATOM 1762 CB THR A 114 -8.846 5.042 -7.195 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.384 3.725 -7.199 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.678 5.042 -8.193 1.00 0.00 C ATOM 0 H THR A 114 -7.589 3.679 -5.304 1.00 0.00 H new ATOM 0 HA THR A 114 -8.094 6.540 -5.857 1.00 0.00 H new ATOM 0 HB THR A 114 -9.577 5.782 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.725 3.101 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 114 -8.027 4.683 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.290 6.055 -8.299 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.887 4.387 -7.827 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.973 6.867 -4.287 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.156 7.197 -3.442 1.00 0.00 C ATOM 1774 C LEU A 115 -12.042 8.229 -4.214 1.00 0.00 C ATOM 1775 O LEU A 115 -11.996 9.437 -3.954 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.599 7.664 -2.065 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.601 8.201 -1.008 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.662 7.169 -0.587 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.832 8.685 0.232 1.00 0.00 C ATOM 0 H LEU A 115 -9.333 7.652 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.821 6.357 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.066 6.824 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.863 8.446 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.137 9.026 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.328 7.613 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.240 6.865 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.170 6.297 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.537 9.062 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.268 7.855 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.145 9.482 -0.054 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.836 7.738 -5.192 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.689 8.604 -6.057 1.00 0.00 C ATOM 1793 C GLY A 116 -12.894 9.520 -7.015 1.00 0.00 C ATOM 1794 O GLY A 116 -12.476 9.100 -8.095 1.00 0.00 O ATOM 0 H GLY A 116 -12.908 6.744 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.352 7.970 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.321 9.223 -5.421 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.691 10.762 -6.568 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.843 11.769 -7.276 1.00 0.00 C ATOM 1800 C ASP A 117 -10.344 11.790 -6.791 1.00 0.00 C ATOM 1801 O ASP A 117 -9.453 12.176 -7.553 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.483 13.174 -7.101 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.831 13.380 -7.793 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.848 13.595 -9.023 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.873 13.333 -7.104 1.00 0.00 O ATOM 0 H ASP A 117 -13.104 11.114 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.810 11.482 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.610 13.365 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.784 13.921 -7.478 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.054 11.390 -5.534 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.687 11.385 -4.949 1.00 0.00 C ATOM 1812 C ILE A 118 -7.891 10.130 -5.454 1.00 0.00 C ATOM 1813 O ILE A 118 -8.297 8.987 -5.214 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.775 11.388 -3.380 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.715 12.420 -2.680 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.366 11.451 -2.738 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.285 13.896 -2.686 1.00 0.00 C ATOM 0 H ILE A 118 -10.768 11.057 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.158 12.283 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.270 10.435 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.696 12.354 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.839 12.111 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.461 11.452 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.784 10.584 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.860 12.362 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.032 14.495 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.324 13.997 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.194 14.244 -3.715 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.726 10.348 -6.084 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.870 9.240 -6.609 1.00 0.00 C ATOM 1831 C VAL A 119 -4.524 9.237 -5.808 1.00 0.00 C ATOM 1832 O VAL A 119 -3.553 9.881 -6.215 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.720 9.379 -8.169 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.833 8.280 -8.793 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.064 9.351 -8.943 1.00 0.00 C ATOM 0 H VAL A 119 -6.343 11.279 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.323 8.260 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.256 10.360 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.769 8.432 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.834 8.329 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.269 7.302 -8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.871 9.452 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.573 8.406 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.694 10.175 -8.608 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.443 8.523 -4.664 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.186 8.430 -3.861 1.00 0.00 C ATOM 1847 C PHE A 120 -2.190 7.423 -4.515 1.00 0.00 C ATOM 1848 O PHE A 120 -2.331 6.207 -4.360 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.534 8.136 -2.372 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.366 7.779 -1.421 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.158 8.488 -1.460 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.469 6.663 -0.583 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.061 8.050 -0.731 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.369 6.230 0.156 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.164 6.922 0.077 1.00 0.00 C ATOM 0 H PHE A 120 -5.226 8.001 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.659 9.384 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.042 9.011 -1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.249 7.313 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.080 9.382 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.407 6.133 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.875 8.586 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.452 5.359 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.691 6.583 0.643 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.172 7.951 -5.215 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.210 7.110 -5.973 1.00 0.00 C ATOM 1867 C LYS A 121 1.243 7.124 -5.404 1.00 0.00 C ATOM 1868 O LYS A 121 1.954 8.129 -5.484 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.284 7.556 -7.457 1.00 0.00 C ATOM 1870 CG LYS A 121 0.417 6.604 -8.450 1.00 0.00 C ATOM 1871 CD LYS A 121 0.274 7.105 -9.898 1.00 0.00 C ATOM 1872 CE LYS A 121 0.952 6.159 -10.902 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.788 6.718 -12.270 1.00 0.00 N ATOM 0 H LYS A 121 -0.988 8.952 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.496 6.063 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.332 7.650 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.162 8.547 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.473 6.521 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.011 5.605 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.783 7.201 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.713 8.099 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.010 6.050 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.508 5.165 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.243 6.087 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.225 6.801 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.231 7.658 -12.316 1.00 0.00 H new ATOM 1887 N ARG A 122 1.699 5.980 -4.869 1.00 0.00 N ATOM 1888 CA ARG A 122 3.138 5.774 -4.530 1.00 0.00 C ATOM 1889 C ARG A 122 3.909 5.197 -5.770 1.00 0.00 C ATOM 1890 O ARG A 122 3.335 4.519 -6.631 1.00 0.00 O ATOM 1891 CB ARG A 122 3.289 4.808 -3.323 1.00 0.00 C ATOM 1892 CG ARG A 122 3.162 5.430 -1.911 1.00 0.00 C ATOM 1893 CD ARG A 122 3.617 4.419 -0.842 1.00 0.00 C ATOM 1894 NE ARG A 122 3.745 5.028 0.506 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.331 4.440 1.552 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.784 3.209 1.546 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.476 5.132 2.644 1.00 0.00 N ATOM 0 H ARG A 122 1.103 5.179 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 122 3.564 6.740 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.537 4.025 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.263 4.324 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.767 6.334 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.129 5.725 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.903 3.597 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.576 3.993 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 122 3.358 5.962 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.699 2.638 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.222 2.823 2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.146 6.096 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.920 4.710 3.460 1.00 0.00 H new ATOM 1911 N ILE A 123 5.220 5.475 -5.851 1.00 0.00 N ATOM 1912 CA ILE A 123 6.125 4.923 -6.903 1.00 0.00 C ATOM 1913 C ILE A 123 7.406 4.460 -6.124 1.00 0.00 C ATOM 1914 O ILE A 123 8.201 5.294 -5.672 1.00 0.00 O ATOM 1915 CB ILE A 123 6.413 5.932 -8.079 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.158 6.434 -8.866 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.388 5.310 -9.115 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.462 7.686 -8.297 1.00 0.00 C ATOM 0 H ILE A 123 5.696 6.091 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 123 5.666 4.089 -7.434 1.00 0.00 H new ATOM 0 HB ILE A 123 6.841 6.795 -7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.457 6.644 -9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.430 5.624 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.571 6.025 -9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.330 5.064 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.948 4.404 -9.531 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.607 7.942 -8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.122 7.483 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.165 8.519 -8.285 1.00 0.00 H new ATOM 1930 N SER A 124 7.608 3.136 -5.984 1.00 0.00 N ATOM 1931 CA SER A 124 8.735 2.546 -5.203 1.00 0.00 C ATOM 1932 C SER A 124 9.591 1.567 -6.069 1.00 0.00 C ATOM 1933 O SER A 124 9.053 0.743 -6.813 1.00 0.00 O ATOM 1934 CB SER A 124 8.130 1.824 -3.969 1.00 0.00 C ATOM 1935 OG SER A 124 7.435 2.728 -3.102 1.00 0.00 O ATOM 0 H SER A 124 6.998 2.436 -6.407 1.00 0.00 H new ATOM 0 HA SER A 124 9.413 3.337 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.445 1.046 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.926 1.329 -3.413 1.00 0.00 H new ATOM 0 HG SER A 124 7.068 2.233 -2.340 1.00 0.00 H new ATOM 1941 N LYS A 125 10.934 1.633 -5.980 1.00 0.00 N ATOM 1942 CA LYS A 125 11.839 0.767 -6.788 1.00 0.00 C ATOM 1943 C LYS A 125 12.355 -0.485 -6.010 1.00 0.00 C ATOM 1944 O LYS A 125 12.777 -0.383 -4.856 1.00 0.00 O ATOM 1945 CB LYS A 125 12.984 1.672 -7.310 1.00 0.00 C ATOM 1946 CG LYS A 125 13.956 0.938 -8.262 1.00 0.00 C ATOM 1947 CD LYS A 125 14.744 1.877 -9.196 1.00 0.00 C ATOM 1948 CE LYS A 125 15.293 1.181 -10.458 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.353 0.183 -10.131 1.00 0.00 N ATOM 0 H LYS A 125 11.424 2.276 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 125 11.290 0.335 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.553 2.528 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.544 2.064 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.661 0.357 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.390 0.230 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.097 2.700 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.575 2.312 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.477 0.684 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.698 1.930 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.694 -0.261 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.144 0.661 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.960 -0.547 -9.503 1.00 0.00 H new ATOM 1963 N ARG A 126 12.396 -1.650 -6.687 1.00 0.00 N ATOM 1964 CA ARG A 126 12.842 -2.938 -6.095 1.00 0.00 C ATOM 1965 C ARG A 126 14.322 -2.966 -5.600 1.00 0.00 C ATOM 1966 O ARG A 126 15.262 -2.700 -6.358 1.00 0.00 O ATOM 1967 CB ARG A 126 12.603 -4.013 -7.184 1.00 0.00 C ATOM 1968 CG ARG A 126 12.562 -5.471 -6.677 1.00 0.00 C ATOM 1969 CD ARG A 126 12.383 -6.427 -7.864 1.00 0.00 C ATOM 1970 NE ARG A 126 11.995 -7.795 -7.442 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.592 -8.750 -8.279 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.597 -8.641 -9.590 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.167 -9.861 -7.758 1.00 0.00 N ATOM 0 H ARG A 126 12.120 -1.730 -7.666 1.00 0.00 H new ATOM 0 HA ARG A 126 12.269 -3.117 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.661 -3.794 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.390 -3.929 -7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.483 -5.707 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.743 -5.597 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.622 -6.028 -8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.313 -6.476 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 126 12.040 -8.019 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.925 -7.781 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.273 -9.417 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.151 -9.976 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.849 -10.619 -8.362 1.00 0.00 H new ATOM 1987 N ILE A 127 14.482 -3.282 -4.312 1.00 0.00 N ATOM 1988 CA ILE A 127 15.795 -3.383 -3.621 1.00 0.00 C ATOM 1989 C ILE A 127 15.821 -4.729 -2.805 1.00 0.00 C ATOM 1990 O ILE A 127 16.927 -5.115 -2.364 1.00 0.00 O ATOM 1991 CB ILE A 127 16.050 -2.017 -2.857 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.540 -0.903 -3.833 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.979 -2.123 -1.627 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.672 0.520 -3.266 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.786 -5.424 -2.623 1.00 0.00 O ATOM 0 H ILE A 127 13.693 -3.481 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 127 16.660 -3.474 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 127 15.076 -1.738 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.512 -1.202 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.852 -0.868 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.093 -1.139 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.545 -2.811 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.955 -2.494 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.021 1.193 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.702 0.858 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.387 0.519 -2.444 1.00 0.00 H new