USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -2.26! K(o=-3!,f=-3.9) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 148:sc= -0.71! (180deg=-1.88!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.96 X(o=-2.9,f=-2.6!) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.0171 USER MOD Set 3.1: A 10 TYR OH : rot 155:sc= 1.28 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.81 K(o=2.1,f=-4.6) USER MOD Set 4.1: A 25 CYS SG : rot -10:sc= 0.531 USER MOD Set 4.2: A 32 GLN : amide:sc= 0.546 K(o=1.1,f=-0.47) USER MOD Set 5.1: A 8 SER OG : rot -39:sc= 2.36 USER MOD Set 5.2: A 80 SER OG : rot 110:sc= 1.24 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.375 (180deg=-0.975) USER MOD Single : A 5 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.22) USER MOD Single : A 6 SER OG : rot -2:sc= 0.437 USER MOD Single : A 11 THR OG1 : rot -73:sc= 0.377 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= 0.961 (180deg=-1.76!) USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= 0.531 (180deg=-3.91!) USER MOD Single : A 24 ASN : amide:sc= 0.989 K(o=0.99,f=-0.034) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0.73 (180deg=0.449) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.777 (180deg=0.58) USER MOD Single : A 35 ASN : amide:sc= -7.43! C(o=-7.4!,f=-8.5!) USER MOD Single : A 41 SER OG : rot 143:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 149:sc= 1.2 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.7!) USER MOD Single : A 62 SER OG : rot 48:sc= 0.75 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 1.24 (180deg=-0.00276) USER MOD Single : A 77 ASN : amide:sc= 0.554 K(o=0.55,f=-0.0047) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.389) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 2.2 (180deg=2.1) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.537 5.246 -0.940 1.00 0.00 N ATOM 34 CA LEU A 3 11.224 4.996 -1.471 1.00 0.00 C ATOM 35 C LEU A 3 10.446 6.310 -1.653 1.00 0.00 C ATOM 36 O LEU A 3 10.893 7.383 -1.239 1.00 0.00 O ATOM 37 CB LEU A 3 10.465 3.981 -0.592 1.00 0.00 C ATOM 38 CG LEU A 3 11.049 2.552 -0.586 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.311 1.683 0.435 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.954 1.882 -1.964 1.00 0.00 C ATOM 0 HA LEU A 3 11.327 4.550 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.447 4.353 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.430 3.932 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 3 12.102 2.642 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.732 0.678 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.421 2.117 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.254 1.635 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.377 0.879 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.909 1.819 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.509 2.471 -2.694 1.00 0.00 H new ATOM 52 N LYS A 4 9.269 6.244 -2.282 1.00 0.00 N ATOM 53 CA LYS A 4 8.425 7.410 -2.504 1.00 0.00 C ATOM 54 C LYS A 4 8.059 8.021 -1.156 1.00 0.00 C ATOM 55 O LYS A 4 7.636 7.321 -0.243 1.00 0.00 O ATOM 56 CB LYS A 4 7.200 7.096 -3.377 1.00 0.00 C ATOM 57 CG LYS A 4 7.394 6.125 -4.560 1.00 0.00 C ATOM 58 CD LYS A 4 7.893 6.702 -5.893 1.00 0.00 C ATOM 59 CE LYS A 4 9.314 7.274 -5.902 1.00 0.00 C ATOM 60 NZ LYS A 4 9.349 8.738 -5.684 1.00 0.00 N ATOM 0 H LYS A 4 8.879 5.377 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 4 8.985 8.149 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.423 6.687 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.821 8.038 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.097 5.353 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.440 5.631 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.837 5.917 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.206 7.490 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.903 6.783 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.787 7.043 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.300 9.099 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.655 9.198 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.117 8.947 -4.692 1.00 0.00 H new ATOM 74 N ASN A 5 8.243 9.334 -1.033 1.00 0.00 N ATOM 75 CA ASN A 5 8.086 10.055 0.226 1.00 0.00 C ATOM 76 C ASN A 5 6.612 10.255 0.598 1.00 0.00 C ATOM 77 O ASN A 5 6.302 10.752 1.677 1.00 0.00 O ATOM 78 CB ASN A 5 8.824 11.401 0.122 1.00 0.00 C ATOM 79 CG ASN A 5 8.796 12.221 1.411 1.00 0.00 C ATOM 80 OD1 ASN A 5 8.481 13.403 1.388 1.00 0.00 O ATOM 81 ND2 ASN A 5 9.169 11.647 2.544 1.00 0.00 N ATOM 0 H ASN A 5 8.508 9.933 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 5 8.522 9.459 1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.861 11.215 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.378 11.988 -0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.195 12.191 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.430 10.661 2.554 1.00 0.00 H new ATOM 88 N SER A 6 5.669 9.922 -0.283 1.00 0.00 N ATOM 89 CA SER A 6 4.246 10.025 -0.022 1.00 0.00 C ATOM 90 C SER A 6 3.478 9.089 -0.934 1.00 0.00 C ATOM 91 O SER A 6 3.956 8.756 -2.016 1.00 0.00 O ATOM 92 CB SER A 6 3.803 11.441 -0.333 1.00 0.00 C ATOM 93 OG SER A 6 4.458 12.423 0.440 1.00 0.00 O ATOM 0 H SER A 6 5.884 9.567 -1.215 1.00 0.00 H new ATOM 0 HA SER A 6 4.054 9.766 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.981 11.644 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.728 11.520 -0.170 1.00 0.00 H new ATOM 0 HG SER A 6 5.069 11.989 1.071 1.00 0.00 H new ATOM 99 N ILE A 7 2.222 8.815 -0.586 1.00 0.00 N ATOM 100 CA ILE A 7 1.256 8.213 -1.493 1.00 0.00 C ATOM 101 C ILE A 7 1.180 9.003 -2.797 1.00 0.00 C ATOM 102 O ILE A 7 1.053 8.409 -3.852 1.00 0.00 O ATOM 103 CB ILE A 7 -0.104 8.088 -0.774 1.00 0.00 C ATOM 104 CG1 ILE A 7 -0.243 6.720 -0.106 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.350 8.371 -1.624 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.441 5.518 -1.023 1.00 0.00 C ATOM 0 H ILE A 7 1.846 9.008 0.343 1.00 0.00 H new ATOM 0 HA ILE A 7 1.572 7.207 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.076 8.888 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.649 6.544 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.087 6.763 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.243 8.252 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.306 9.391 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.387 7.672 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.525 4.612 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.352 5.652 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.412 5.429 -1.696 1.00 0.00 H new ATOM 118 N SER A 8 1.291 10.328 -2.789 1.00 0.00 N ATOM 119 CA SER A 8 1.179 11.119 -3.979 1.00 0.00 C ATOM 120 C SER A 8 2.520 11.283 -4.702 1.00 0.00 C ATOM 121 O SER A 8 2.561 11.707 -5.861 1.00 0.00 O ATOM 122 CB SER A 8 0.613 12.418 -3.431 1.00 0.00 C ATOM 123 OG SER A 8 -0.610 12.194 -2.737 1.00 0.00 O ATOM 0 H SER A 8 1.462 10.873 -1.944 1.00 0.00 H new ATOM 0 HA SER A 8 0.553 10.677 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.337 12.878 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.447 13.119 -4.249 1.00 0.00 H new ATOM 0 HG SER A 8 -1.137 11.518 -3.212 1.00 0.00 H new ATOM 129 N ASP A 9 3.620 10.904 -4.051 1.00 0.00 N ATOM 130 CA ASP A 9 4.882 10.649 -4.726 1.00 0.00 C ATOM 131 C ASP A 9 4.811 9.279 -5.414 1.00 0.00 C ATOM 132 O ASP A 9 5.347 9.131 -6.510 1.00 0.00 O ATOM 133 CB ASP A 9 6.042 10.734 -3.731 1.00 0.00 C ATOM 134 CG ASP A 9 7.412 10.654 -4.403 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.541 10.849 -5.632 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.372 10.288 -3.692 1.00 0.00 O ATOM 0 H ASP A 9 3.656 10.767 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 9 5.061 11.407 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.970 11.669 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.951 9.925 -3.006 1.00 0.00 H new ATOM 141 N TYR A 10 4.054 8.323 -4.861 1.00 0.00 N ATOM 142 CA TYR A 10 3.694 7.085 -5.528 1.00 0.00 C ATOM 143 C TYR A 10 2.800 7.393 -6.744 1.00 0.00 C ATOM 144 O TYR A 10 2.232 8.480 -6.919 1.00 0.00 O ATOM 145 CB TYR A 10 3.011 6.113 -4.525 1.00 0.00 C ATOM 146 CG TYR A 10 3.918 5.194 -3.743 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.453 4.078 -4.394 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.222 5.417 -2.385 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.400 3.256 -3.766 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.182 4.600 -1.759 1.00 0.00 C ATOM 151 CZ TYR A 10 5.808 3.547 -2.454 1.00 0.00 C ATOM 152 OH TYR A 10 6.818 2.838 -1.889 1.00 0.00 O ATOM 0 H TYR A 10 3.672 8.399 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 10 4.592 6.587 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.435 6.707 -3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.300 5.499 -5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.131 3.845 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.726 6.202 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.813 2.405 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.443 4.784 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 10 7.244 3.376 -1.189 1.00 0.00 H new ATOM 162 N THR A 11 2.647 6.381 -7.579 1.00 0.00 N ATOM 163 CA THR A 11 1.652 6.141 -8.581 1.00 0.00 C ATOM 164 C THR A 11 0.940 4.883 -8.115 1.00 0.00 C ATOM 165 O THR A 11 1.439 4.118 -7.284 1.00 0.00 O ATOM 166 CB THR A 11 2.309 5.911 -9.951 1.00 0.00 C ATOM 167 OG1 THR A 11 3.140 4.791 -9.889 1.00 0.00 O ATOM 168 CG2 THR A 11 3.177 7.067 -10.429 1.00 0.00 C ATOM 0 H THR A 11 3.315 5.611 -7.557 1.00 0.00 H new ATOM 0 HA THR A 11 0.972 6.984 -8.701 1.00 0.00 H new ATOM 0 HB THR A 11 1.481 5.791 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.949 5.012 -9.383 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.603 6.824 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.569 7.968 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.981 7.238 -9.714 1.00 0.00 H new ATOM 176 N GLU A 12 -0.225 4.663 -8.690 1.00 0.00 N ATOM 177 CA GLU A 12 -1.090 3.577 -8.349 1.00 0.00 C ATOM 178 C GLU A 12 -0.455 2.201 -8.609 1.00 0.00 C ATOM 179 O GLU A 12 -0.728 1.242 -7.891 1.00 0.00 O ATOM 180 CB GLU A 12 -2.355 3.892 -9.132 1.00 0.00 C ATOM 181 CG GLU A 12 -3.509 3.047 -8.659 1.00 0.00 C ATOM 182 CD GLU A 12 -4.875 3.727 -8.825 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.099 4.809 -8.233 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.787 3.158 -9.464 1.00 0.00 O ATOM 0 H GLU A 12 -0.598 5.259 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.305 3.494 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.603 4.947 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.183 3.716 -10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.511 2.107 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.361 2.799 -7.608 1.00 0.00 H new ATOM 191 N THR A 13 0.452 2.101 -9.583 1.00 0.00 N ATOM 192 CA THR A 13 1.060 0.828 -9.964 1.00 0.00 C ATOM 193 C THR A 13 2.442 0.653 -9.306 1.00 0.00 C ATOM 194 O THR A 13 2.827 -0.478 -9.029 1.00 0.00 O ATOM 195 CB THR A 13 1.144 0.752 -11.501 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.002 1.336 -12.103 1.00 0.00 O ATOM 197 CG2 THR A 13 1.260 -0.688 -12.005 1.00 0.00 C ATOM 0 H THR A 13 0.784 2.898 -10.127 1.00 0.00 H new ATOM 0 HA THR A 13 0.439 0.007 -9.605 1.00 0.00 H new ATOM 0 HB THR A 13 2.043 1.302 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.075 1.277 -13.078 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.316 -0.689 -13.094 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.160 -1.146 -11.595 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.386 -1.257 -11.686 1.00 0.00 H new ATOM 205 N GLU A 14 3.184 1.721 -8.978 1.00 0.00 N ATOM 206 CA GLU A 14 4.331 1.609 -8.086 1.00 0.00 C ATOM 207 C GLU A 14 3.870 1.156 -6.712 1.00 0.00 C ATOM 208 O GLU A 14 4.533 0.319 -6.096 1.00 0.00 O ATOM 209 CB GLU A 14 5.019 2.962 -7.937 1.00 0.00 C ATOM 210 CG GLU A 14 5.741 3.368 -9.216 1.00 0.00 C ATOM 211 CD GLU A 14 6.305 4.781 -9.053 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.448 5.688 -8.929 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.541 4.959 -9.020 1.00 0.00 O ATOM 0 H GLU A 14 3.006 2.666 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 14 5.027 0.885 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.280 3.720 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.732 2.920 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.546 2.665 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.054 3.334 -10.061 1.00 0.00 H new ATOM 220 N PHE A 15 2.731 1.684 -6.240 1.00 0.00 N ATOM 221 CA PHE A 15 2.203 1.198 -4.987 1.00 0.00 C ATOM 222 C PHE A 15 1.819 -0.260 -5.138 1.00 0.00 C ATOM 223 O PHE A 15 2.160 -1.032 -4.254 1.00 0.00 O ATOM 224 CB PHE A 15 1.053 2.053 -4.460 1.00 0.00 C ATOM 225 CG PHE A 15 0.911 1.928 -2.956 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.992 2.299 -2.136 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.264 1.428 -2.363 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.875 2.238 -0.744 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.396 1.435 -0.962 1.00 0.00 C ATOM 230 CZ PHE A 15 0.656 1.899 -0.152 1.00 0.00 C ATOM 0 H PHE A 15 2.187 2.417 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 15 2.983 1.278 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.223 3.097 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.123 1.750 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.917 2.632 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.061 1.041 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.732 2.454 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.310 1.082 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.523 1.992 0.916 1.00 0.00 H new ATOM 240 N LYS A 16 1.255 -0.704 -6.272 1.00 0.00 N ATOM 241 CA LYS A 16 1.172 -2.128 -6.478 1.00 0.00 C ATOM 242 C LYS A 16 2.511 -2.798 -6.335 1.00 0.00 C ATOM 243 O LYS A 16 2.521 -3.775 -5.629 1.00 0.00 O ATOM 244 CB LYS A 16 0.698 -2.428 -7.885 1.00 0.00 C ATOM 245 CG LYS A 16 -0.193 -3.648 -7.792 1.00 0.00 C ATOM 246 CD LYS A 16 -1.627 -3.135 -7.805 1.00 0.00 C ATOM 247 CE LYS A 16 -1.971 -3.028 -9.273 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.282 -4.379 -9.811 1.00 0.00 N ATOM 0 H LYS A 16 0.872 -0.120 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 16 0.480 -2.504 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.152 -1.580 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.544 -2.616 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.015 -4.324 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.011 -4.209 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.299 -3.819 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.709 -2.170 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.826 -2.365 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.137 -2.590 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.577 -4.636 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.257 -5.075 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.229 -4.372 -10.240 1.00 0.00 H new ATOM 262 N LYS A 17 3.621 -2.354 -6.935 1.00 0.00 N ATOM 263 CA LYS A 17 4.843 -3.125 -6.811 1.00 0.00 C ATOM 264 C LYS A 17 5.173 -3.363 -5.345 1.00 0.00 C ATOM 265 O LYS A 17 5.690 -4.428 -5.072 1.00 0.00 O ATOM 266 CB LYS A 17 6.001 -2.425 -7.533 1.00 0.00 C ATOM 267 CG LYS A 17 6.995 -3.373 -8.229 1.00 0.00 C ATOM 268 CD LYS A 17 7.652 -4.538 -7.450 1.00 0.00 C ATOM 269 CE LYS A 17 8.478 -4.146 -6.209 1.00 0.00 C ATOM 270 NZ LYS A 17 9.056 -5.335 -5.537 1.00 0.00 N ATOM 0 H LYS A 17 3.691 -1.500 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 17 4.692 -4.094 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.588 -1.744 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.546 -1.816 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.478 -3.810 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.802 -2.757 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.867 -5.226 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.300 -5.085 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.280 -3.469 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.845 -3.603 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.054 -5.187 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.487 -6.175 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.033 -5.478 -5.864 1.00 0.00 H new ATOM 284 N ILE A 18 4.878 -2.447 -4.416 1.00 0.00 N ATOM 285 CA ILE A 18 5.123 -2.734 -2.997 1.00 0.00 C ATOM 286 C ILE A 18 4.125 -3.740 -2.423 1.00 0.00 C ATOM 287 O ILE A 18 4.477 -4.682 -1.721 1.00 0.00 O ATOM 288 CB ILE A 18 5.222 -1.424 -2.194 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.432 -1.656 -1.267 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.974 -0.858 -1.489 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.621 -0.622 -0.180 1.00 0.00 C ATOM 0 H ILE A 18 4.481 -1.528 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 18 6.089 -3.231 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 18 5.339 -0.597 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.328 -2.635 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.335 -1.688 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.235 0.067 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.199 -0.656 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.605 -1.584 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.498 -0.876 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.762 0.360 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.740 -0.603 0.461 1.00 0.00 H new ATOM 303 N ILE A 19 2.867 -3.519 -2.752 1.00 0.00 N ATOM 304 CA ILE A 19 1.719 -4.283 -2.271 1.00 0.00 C ATOM 305 C ILE A 19 1.676 -5.724 -2.859 1.00 0.00 C ATOM 306 O ILE A 19 1.242 -6.691 -2.226 1.00 0.00 O ATOM 307 CB ILE A 19 0.466 -3.430 -2.592 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.432 -2.091 -1.828 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.873 -4.112 -2.354 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.485 -2.192 -0.311 1.00 0.00 C ATOM 0 H ILE A 19 2.599 -2.770 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 19 1.778 -4.457 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 19 0.583 -3.267 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.272 -1.482 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.478 -1.559 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.681 -3.427 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.943 -5.004 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.956 -4.394 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.455 -1.192 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.370 -2.767 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.407 -2.689 -0.011 1.00 0.00 H new ATOM 322 N GLU A 20 2.143 -5.897 -4.086 1.00 0.00 N ATOM 323 CA GLU A 20 2.207 -7.152 -4.804 1.00 0.00 C ATOM 324 C GLU A 20 3.464 -7.904 -4.367 1.00 0.00 C ATOM 325 O GLU A 20 3.385 -9.107 -4.150 1.00 0.00 O ATOM 326 CB GLU A 20 2.039 -6.949 -6.310 1.00 0.00 C ATOM 327 CG GLU A 20 0.671 -7.406 -6.858 1.00 0.00 C ATOM 328 CD GLU A 20 0.307 -6.838 -8.249 1.00 0.00 C ATOM 329 OE1 GLU A 20 1.216 -6.663 -9.090 1.00 0.00 O ATOM 330 OE2 GLU A 20 -0.888 -6.512 -8.480 1.00 0.00 O ATOM 0 H GLU A 20 2.507 -5.118 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 20 1.364 -7.793 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.176 -5.893 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.827 -7.494 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.662 -8.495 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.104 -7.116 -6.149 1.00 0.00 H new ATOM 337 N ASP A 21 4.593 -7.207 -4.166 1.00 0.00 N ATOM 338 CA ASP A 21 5.859 -7.711 -3.603 1.00 0.00 C ATOM 339 C ASP A 21 5.587 -8.537 -2.361 1.00 0.00 C ATOM 340 O ASP A 21 5.925 -9.722 -2.322 1.00 0.00 O ATOM 341 CB ASP A 21 6.761 -6.490 -3.361 1.00 0.00 C ATOM 342 CG ASP A 21 7.956 -6.491 -2.405 1.00 0.00 C ATOM 343 OD1 ASP A 21 7.857 -6.914 -1.234 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.927 -5.772 -2.764 1.00 0.00 O ATOM 0 H ASP A 21 4.652 -6.217 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 21 6.375 -8.388 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.151 -6.200 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.104 -5.686 -3.028 1.00 0.00 H new ATOM 349 N ILE A 22 4.869 -7.957 -1.405 1.00 0.00 N ATOM 350 CA ILE A 22 4.470 -8.645 -0.194 1.00 0.00 C ATOM 351 C ILE A 22 3.581 -9.850 -0.446 1.00 0.00 C ATOM 352 O ILE A 22 3.919 -10.939 0.010 1.00 0.00 O ATOM 353 CB ILE A 22 3.811 -7.674 0.794 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.675 -6.799 0.254 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.920 -6.788 1.356 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.159 -5.666 1.134 1.00 0.00 C ATOM 0 H ILE A 22 4.548 -6.990 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 22 5.386 -9.034 0.249 1.00 0.00 H new ATOM 0 HB ILE A 22 3.317 -8.292 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.009 -6.364 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.833 -7.451 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.495 -6.079 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.660 -7.408 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.398 -6.243 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.358 -5.139 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.778 -6.076 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.972 -4.972 1.347 1.00 0.00 H new ATOM 368 N ILE A 23 2.432 -9.633 -1.080 1.00 0.00 N ATOM 369 CA ILE A 23 1.418 -10.676 -1.265 1.00 0.00 C ATOM 370 C ILE A 23 1.971 -11.903 -2.015 1.00 0.00 C ATOM 371 O ILE A 23 1.618 -13.029 -1.666 1.00 0.00 O ATOM 372 CB ILE A 23 0.168 -10.042 -1.918 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.592 -9.244 -0.822 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.803 -11.067 -2.531 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.662 -8.263 -1.310 1.00 0.00 C ATOM 0 H ILE A 23 2.174 -8.731 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 23 1.119 -11.078 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 23 0.517 -9.411 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.065 -9.957 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.139 -8.687 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.654 -10.545 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.289 -11.637 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.155 -11.745 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.120 -7.768 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.203 -7.516 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.426 -8.805 -1.867 1.00 0.00 H new ATOM 387 N ASN A 24 2.831 -11.731 -3.024 1.00 0.00 N ATOM 388 CA ASN A 24 3.545 -12.783 -3.697 1.00 0.00 C ATOM 389 C ASN A 24 4.511 -13.453 -2.738 1.00 0.00 C ATOM 390 O ASN A 24 4.525 -14.675 -2.614 1.00 0.00 O ATOM 391 CB ASN A 24 4.385 -12.071 -4.741 1.00 0.00 C ATOM 392 CG ASN A 24 3.749 -11.948 -6.082 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.616 -12.885 -6.859 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.432 -10.720 -6.371 1.00 0.00 N ATOM 0 H ASN A 24 3.047 -10.807 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 24 2.862 -13.530 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.623 -11.072 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.330 -12.604 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.049 -10.495 -7.289 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.567 -9.982 -5.680 1.00 0.00 H new ATOM 401 N CYS A 25 5.351 -12.597 -2.153 1.00 0.00 N ATOM 402 CA CYS A 25 6.437 -12.811 -1.194 1.00 0.00 C ATOM 403 C CYS A 25 7.786 -12.698 -1.920 1.00 0.00 C ATOM 404 O CYS A 25 8.611 -13.611 -1.892 1.00 0.00 O ATOM 405 CB CYS A 25 6.338 -14.123 -0.391 1.00 0.00 C ATOM 406 SG CYS A 25 4.785 -14.251 0.548 1.00 0.00 S ATOM 0 H CYS A 25 5.274 -11.604 -2.371 1.00 0.00 H new ATOM 0 HA CYS A 25 6.347 -12.028 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.417 -14.969 -1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.181 -14.188 0.297 1.00 0.00 H new ATOM 0 HG CYS A 25 4.167 -13.107 0.523 1.00 0.00 H new ATOM 411 N GLU A 26 8.024 -11.567 -2.582 1.00 0.00 N ATOM 412 CA GLU A 26 9.250 -11.119 -3.184 1.00 0.00 C ATOM 413 C GLU A 26 10.268 -10.772 -2.082 1.00 0.00 C ATOM 414 O GLU A 26 10.690 -9.624 -1.945 1.00 0.00 O ATOM 415 CB GLU A 26 8.882 -9.927 -4.093 1.00 0.00 C ATOM 416 CG GLU A 26 9.982 -9.555 -5.092 1.00 0.00 C ATOM 417 CD GLU A 26 9.688 -8.240 -5.837 1.00 0.00 C ATOM 418 OE1 GLU A 26 8.503 -7.912 -6.081 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.631 -7.472 -6.148 1.00 0.00 O ATOM 0 H GLU A 26 7.279 -10.883 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 26 9.730 -11.885 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.971 -10.167 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.661 -9.061 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.931 -9.464 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.096 -10.361 -5.817 1.00 0.00 H new ATOM 426 N GLY A 27 10.621 -11.737 -1.228 1.00 0.00 N ATOM 427 CA GLY A 27 11.188 -11.390 0.063 1.00 0.00 C ATOM 428 C GLY A 27 11.905 -12.488 0.833 1.00 0.00 C ATOM 429 O GLY A 27 12.313 -13.515 0.301 1.00 0.00 O ATOM 0 H GLY A 27 10.525 -12.737 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.891 -10.571 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.384 -11.008 0.692 1.00 0.00 H new ATOM 433 N ASP A 28 12.121 -12.145 2.103 1.00 0.00 N ATOM 434 CA ASP A 28 13.067 -12.701 3.083 1.00 0.00 C ATOM 435 C ASP A 28 12.429 -12.644 4.487 1.00 0.00 C ATOM 436 O ASP A 28 13.094 -12.591 5.512 1.00 0.00 O ATOM 437 CB ASP A 28 14.333 -11.822 2.983 1.00 0.00 C ATOM 438 CG ASP A 28 15.487 -12.173 3.933 1.00 0.00 C ATOM 439 OD1 ASP A 28 16.011 -13.303 3.826 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.915 -11.243 4.659 1.00 0.00 O ATOM 0 H ASP A 28 11.580 -11.388 2.520 1.00 0.00 H new ATOM 0 HA ASP A 28 13.318 -13.745 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.705 -11.875 1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.045 -10.787 3.164 1.00 0.00 H new ATOM 445 N GLU A 29 11.100 -12.478 4.504 1.00 0.00 N ATOM 446 CA GLU A 29 10.175 -11.980 5.533 1.00 0.00 C ATOM 447 C GLU A 29 10.479 -10.507 5.758 1.00 0.00 C ATOM 448 O GLU A 29 9.602 -9.649 5.764 1.00 0.00 O ATOM 449 CB GLU A 29 10.227 -12.780 6.852 1.00 0.00 C ATOM 450 CG GLU A 29 9.779 -14.246 6.723 1.00 0.00 C ATOM 451 CD GLU A 29 9.851 -15.020 8.054 1.00 0.00 C ATOM 452 OE1 GLU A 29 9.654 -14.395 9.123 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.083 -16.250 7.998 1.00 0.00 O ATOM 0 H GLU A 29 10.570 -12.728 3.669 1.00 0.00 H new ATOM 0 HA GLU A 29 9.154 -12.112 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.246 -12.757 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.596 -12.283 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.756 -14.275 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.404 -14.747 5.984 1.00 0.00 H new ATOM 460 N LYS A 30 11.757 -10.175 5.830 1.00 0.00 N ATOM 461 CA LYS A 30 12.256 -8.866 6.172 1.00 0.00 C ATOM 462 C LYS A 30 11.998 -7.809 5.136 1.00 0.00 C ATOM 463 O LYS A 30 11.846 -6.658 5.519 1.00 0.00 O ATOM 464 CB LYS A 30 13.752 -9.001 6.434 1.00 0.00 C ATOM 465 CG LYS A 30 13.977 -9.742 7.753 1.00 0.00 C ATOM 466 CD LYS A 30 14.177 -8.779 8.934 1.00 0.00 C ATOM 467 CE LYS A 30 12.925 -7.933 9.239 1.00 0.00 C ATOM 468 NZ LYS A 30 12.840 -6.647 8.495 1.00 0.00 N ATOM 0 H LYS A 30 12.503 -10.845 5.642 1.00 0.00 H new ATOM 0 HA LYS A 30 11.715 -8.524 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.227 -9.542 5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.215 -8.015 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.123 -10.389 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.851 -10.387 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.447 -9.352 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.014 -8.115 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.039 -8.526 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.900 -7.720 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.110 -6.044 8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.759 -6.161 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.592 -6.836 7.503 1.00 0.00 H new ATOM 482 N LYS A 31 11.959 -8.195 3.871 1.00 0.00 N ATOM 483 CA LYS A 31 11.531 -7.407 2.745 1.00 0.00 C ATOM 484 C LYS A 31 10.044 -7.047 2.881 1.00 0.00 C ATOM 485 O LYS A 31 9.599 -5.989 2.457 1.00 0.00 O ATOM 486 CB LYS A 31 11.830 -8.281 1.516 1.00 0.00 C ATOM 487 CG LYS A 31 12.273 -7.550 0.251 1.00 0.00 C ATOM 488 CD LYS A 31 11.137 -6.840 -0.491 1.00 0.00 C ATOM 489 CE LYS A 31 11.025 -5.377 -0.061 1.00 0.00 C ATOM 490 NZ LYS A 31 9.643 -4.888 -0.163 1.00 0.00 N ATOM 0 H LYS A 31 12.247 -9.133 3.593 1.00 0.00 H new ATOM 0 HA LYS A 31 12.048 -6.450 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.607 -8.996 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.935 -8.857 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.034 -6.816 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.742 -8.266 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.312 -6.894 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.195 -7.352 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.374 -5.271 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.676 -4.763 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.588 -3.921 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.348 -4.887 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.014 -5.510 0.383 1.00 0.00 H new ATOM 504 N GLN A 32 9.257 -7.937 3.467 1.00 0.00 N ATOM 505 CA GLN A 32 7.820 -7.811 3.575 1.00 0.00 C ATOM 506 C GLN A 32 7.489 -6.964 4.805 1.00 0.00 C ATOM 507 O GLN A 32 6.636 -6.089 4.719 1.00 0.00 O ATOM 508 CB GLN A 32 7.200 -9.225 3.586 1.00 0.00 C ATOM 509 CG GLN A 32 7.867 -10.126 2.521 1.00 0.00 C ATOM 510 CD GLN A 32 7.355 -11.556 2.484 1.00 0.00 C ATOM 511 OE1 GLN A 32 8.125 -12.474 2.740 1.00 0.00 O ATOM 512 NE2 GLN A 32 6.099 -11.778 2.146 1.00 0.00 N ATOM 0 H GLN A 32 9.617 -8.792 3.892 1.00 0.00 H new ATOM 0 HA GLN A 32 7.385 -7.291 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.320 -9.672 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.129 -9.159 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.717 -9.676 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.942 -10.144 2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.481 -10.994 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.747 -12.734 2.093 1.00 0.00 H new ATOM 521 N ASP A 33 8.230 -7.143 5.903 1.00 0.00 N ATOM 522 CA ASP A 33 8.281 -6.208 7.042 1.00 0.00 C ATOM 523 C ASP A 33 8.682 -4.802 6.610 1.00 0.00 C ATOM 524 O ASP A 33 8.113 -3.816 7.068 1.00 0.00 O ATOM 525 CB ASP A 33 9.340 -6.716 8.018 1.00 0.00 C ATOM 526 CG ASP A 33 9.497 -5.884 9.291 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.527 -5.789 10.065 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.664 -5.485 9.538 1.00 0.00 O ATOM 0 H ASP A 33 8.827 -7.960 6.032 1.00 0.00 H new ATOM 0 HA ASP A 33 7.289 -6.160 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.092 -7.740 8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.300 -6.750 7.503 1.00 0.00 H new ATOM 533 N ASP A 34 9.648 -4.727 5.694 1.00 0.00 N ATOM 534 CA ASP A 34 10.175 -3.474 5.156 1.00 0.00 C ATOM 535 C ASP A 34 9.065 -2.707 4.450 1.00 0.00 C ATOM 536 O ASP A 34 8.802 -1.544 4.759 1.00 0.00 O ATOM 537 CB ASP A 34 11.373 -3.740 4.216 1.00 0.00 C ATOM 538 CG ASP A 34 11.482 -2.837 2.970 1.00 0.00 C ATOM 539 OD1 ASP A 34 10.845 -3.170 1.938 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.314 -1.905 3.004 1.00 0.00 O ATOM 0 H ASP A 34 10.095 -5.554 5.297 1.00 0.00 H new ATOM 0 HA ASP A 34 10.542 -2.860 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.291 -3.636 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.322 -4.777 3.883 1.00 0.00 H new ATOM 545 N ASN A 35 8.342 -3.407 3.572 1.00 0.00 N ATOM 546 CA ASN A 35 7.097 -2.894 3.030 1.00 0.00 C ATOM 547 C ASN A 35 6.155 -2.497 4.150 1.00 0.00 C ATOM 548 O ASN A 35 5.479 -1.501 3.995 1.00 0.00 O ATOM 549 CB ASN A 35 6.378 -3.918 2.142 1.00 0.00 C ATOM 550 CG ASN A 35 4.898 -3.544 1.973 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.522 -2.855 1.042 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.024 -3.956 2.883 1.00 0.00 N ATOM 0 H ASN A 35 8.604 -4.330 3.226 1.00 0.00 H new ATOM 0 HA ASN A 35 7.362 -2.029 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.861 -3.963 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.459 -4.911 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.041 -3.695 2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.335 -4.533 3.664 1.00 0.00 H new ATOM 559 N LEU A 36 5.975 -3.314 5.184 1.00 0.00 N ATOM 560 CA LEU A 36 4.844 -3.212 6.081 1.00 0.00 C ATOM 561 C LEU A 36 4.850 -1.910 6.877 1.00 0.00 C ATOM 562 O LEU A 36 3.822 -1.237 6.949 1.00 0.00 O ATOM 563 CB LEU A 36 4.753 -4.541 6.858 1.00 0.00 C ATOM 564 CG LEU A 36 3.811 -5.540 6.172 1.00 0.00 C ATOM 565 CD1 LEU A 36 4.037 -6.960 6.702 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.334 -5.191 6.346 1.00 0.00 C ATOM 0 H LEU A 36 6.619 -4.069 5.419 1.00 0.00 H new ATOM 0 HA LEU A 36 3.897 -3.109 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.747 -4.980 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.401 -4.346 7.871 1.00 0.00 H new ATOM 0 HG LEU A 36 4.052 -5.485 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.357 -7.648 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.067 -7.261 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.848 -6.982 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.722 -5.936 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.085 -5.180 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.140 -4.208 5.917 1.00 0.00 H new ATOM 578 N GLU A 37 6.022 -1.484 7.327 1.00 0.00 N ATOM 579 CA GLU A 37 6.248 -0.116 7.818 1.00 0.00 C ATOM 580 C GLU A 37 5.857 0.865 6.732 1.00 0.00 C ATOM 581 O GLU A 37 5.043 1.750 6.973 1.00 0.00 O ATOM 582 CB GLU A 37 7.727 0.087 8.216 1.00 0.00 C ATOM 583 CG GLU A 37 8.038 1.454 8.877 1.00 0.00 C ATOM 584 CD GLU A 37 7.972 2.709 7.976 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.450 2.672 6.820 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.471 3.753 8.459 1.00 0.00 O ATOM 0 H GLU A 37 6.853 -2.075 7.365 1.00 0.00 H new ATOM 0 HA GLU A 37 5.638 0.053 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.017 -0.708 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.347 -0.020 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.342 1.595 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.038 1.401 9.308 1.00 0.00 H new ATOM 593 N HIS A 38 6.406 0.705 5.536 1.00 0.00 N ATOM 594 CA HIS A 38 6.224 1.665 4.474 1.00 0.00 C ATOM 595 C HIS A 38 4.742 1.823 4.082 1.00 0.00 C ATOM 596 O HIS A 38 4.270 2.931 3.845 1.00 0.00 O ATOM 597 CB HIS A 38 7.116 1.244 3.314 1.00 0.00 C ATOM 598 CG HIS A 38 7.350 2.395 2.401 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.108 3.504 2.689 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.738 2.578 1.202 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.981 4.343 1.649 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.189 3.804 0.702 1.00 0.00 N ATOM 0 H HIS A 38 6.987 -0.094 5.282 1.00 0.00 H new ATOM 0 HA HIS A 38 6.520 2.660 4.806 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.068 0.873 3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.650 0.425 2.766 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.661 3.660 3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.038 1.906 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.448 5.314 1.581 1.00 0.00 H new ATOM 610 N PHE A 39 3.994 0.725 4.058 1.00 0.00 N ATOM 611 CA PHE A 39 2.557 0.588 3.881 1.00 0.00 C ATOM 612 C PHE A 39 1.760 1.258 5.005 1.00 0.00 C ATOM 613 O PHE A 39 0.607 1.626 4.779 1.00 0.00 O ATOM 614 CB PHE A 39 2.215 -0.907 3.792 1.00 0.00 C ATOM 615 CG PHE A 39 0.742 -1.192 3.601 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.090 -0.647 2.486 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.031 -2.018 4.489 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.247 -0.965 2.205 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.319 -2.313 4.225 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.958 -1.783 3.097 1.00 0.00 C ATOM 0 H PHE A 39 4.430 -0.189 4.175 1.00 0.00 H new ATOM 0 HA PHE A 39 2.274 1.098 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.770 -1.347 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.555 -1.402 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.625 0.028 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.516 -2.422 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.723 -0.585 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.868 -2.954 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.999 -2.004 2.913 1.00 0.00 H new ATOM 630 N ILE A 40 2.321 1.469 6.193 1.00 0.00 N ATOM 631 CA ILE A 40 1.772 2.489 7.091 1.00 0.00 C ATOM 632 C ILE A 40 2.178 3.855 6.542 1.00 0.00 C ATOM 633 O ILE A 40 1.331 4.731 6.337 1.00 0.00 O ATOM 634 CB ILE A 40 2.243 2.300 8.569 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.369 1.260 9.291 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.146 3.591 9.410 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.760 -0.138 8.850 1.00 0.00 C ATOM 0 H ILE A 40 3.132 0.965 6.552 1.00 0.00 H new ATOM 0 HA ILE A 40 0.686 2.400 7.121 1.00 0.00 H new ATOM 0 HB ILE A 40 3.284 1.986 8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.489 1.357 10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.317 1.440 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.488 3.390 10.425 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.771 4.364 8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.111 3.931 9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.137 -0.869 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.617 -0.233 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.807 -0.317 9.094 1.00 0.00 H new ATOM 649 N SER A 41 3.477 4.014 6.319 1.00 0.00 N ATOM 650 CA SER A 41 4.162 5.270 6.238 1.00 0.00 C ATOM 651 C SER A 41 3.622 6.218 5.154 1.00 0.00 C ATOM 652 O SER A 41 3.148 7.309 5.478 1.00 0.00 O ATOM 653 CB SER A 41 5.673 5.015 6.134 1.00 0.00 C ATOM 654 OG SER A 41 6.394 5.717 7.123 1.00 0.00 O ATOM 0 H SER A 41 4.102 3.219 6.185 1.00 0.00 H new ATOM 0 HA SER A 41 3.963 5.818 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.869 3.947 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.025 5.315 5.147 1.00 0.00 H new ATOM 0 HG SER A 41 7.139 5.164 7.439 1.00 0.00 H new ATOM 660 N VAL A 42 3.671 5.856 3.861 1.00 0.00 N ATOM 661 CA VAL A 42 3.152 6.643 2.781 1.00 0.00 C ATOM 662 C VAL A 42 1.646 6.831 2.900 1.00 0.00 C ATOM 663 O VAL A 42 1.125 7.883 2.507 1.00 0.00 O ATOM 664 CB VAL A 42 3.571 5.976 1.492 1.00 0.00 C ATOM 665 CG1 VAL A 42 4.910 6.553 1.037 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.584 4.462 1.375 1.00 0.00 C ATOM 0 H VAL A 42 4.089 4.978 3.552 1.00 0.00 H new ATOM 0 HA VAL A 42 3.560 7.654 2.806 1.00 0.00 H new ATOM 0 HB VAL A 42 2.736 6.220 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.215 6.074 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.808 7.626 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.664 6.371 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.913 4.177 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.268 4.046 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.580 4.075 1.551 1.00 0.00 H new ATOM 676 N THR A 43 0.950 5.798 3.364 1.00 0.00 N ATOM 677 CA THR A 43 -0.473 5.677 3.297 1.00 0.00 C ATOM 678 C THR A 43 -1.141 6.584 4.309 1.00 0.00 C ATOM 679 O THR A 43 -2.198 7.131 4.007 1.00 0.00 O ATOM 680 CB THR A 43 -0.830 4.202 3.428 1.00 0.00 C ATOM 681 OG1 THR A 43 0.240 3.385 3.003 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.973 3.837 2.512 1.00 0.00 C ATOM 0 H THR A 43 1.396 4.998 3.813 1.00 0.00 H new ATOM 0 HA THR A 43 -0.857 6.019 2.336 1.00 0.00 H new ATOM 0 HB THR A 43 -1.078 4.046 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.237 2.550 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.207 2.779 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.849 4.432 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.689 4.037 1.479 1.00 0.00 H new ATOM 690 N GLU A 44 -0.551 6.760 5.491 1.00 0.00 N ATOM 691 CA GLU A 44 -1.196 7.331 6.669 1.00 0.00 C ATOM 692 C GLU A 44 -2.430 6.502 7.075 1.00 0.00 C ATOM 693 O GLU A 44 -3.121 6.897 8.008 1.00 0.00 O ATOM 694 CB GLU A 44 -1.555 8.825 6.467 1.00 0.00 C ATOM 695 CG GLU A 44 -0.388 9.742 6.060 1.00 0.00 C ATOM 696 CD GLU A 44 -0.898 11.140 5.689 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.429 11.869 6.557 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.880 11.516 4.486 1.00 0.00 O ATOM 0 H GLU A 44 0.421 6.500 5.658 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.478 7.289 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.330 8.894 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.985 9.205 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.325 9.816 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.144 9.307 5.214 1.00 0.00 H new ATOM 705 N HIS A 45 -2.721 5.385 6.383 1.00 0.00 N ATOM 706 CA HIS A 45 -3.914 4.570 6.577 1.00 0.00 C ATOM 707 C HIS A 45 -3.739 3.890 7.948 1.00 0.00 C ATOM 708 O HIS A 45 -2.910 2.989 8.056 1.00 0.00 O ATOM 709 CB HIS A 45 -4.165 3.574 5.410 1.00 0.00 C ATOM 710 CG HIS A 45 -5.462 2.789 5.581 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.772 2.081 6.724 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.550 2.682 4.731 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.034 1.645 6.624 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.546 1.995 5.438 1.00 0.00 N ATOM 0 H HIS A 45 -2.108 5.022 5.653 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.816 5.182 6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.198 4.123 4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.329 2.878 5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.618 3.055 3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.561 1.092 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.491 1.797 5.108 1.00 0.00 H new ATOM 722 N PRO A 46 -4.492 4.282 8.991 1.00 0.00 N ATOM 723 CA PRO A 46 -4.204 3.986 10.390 1.00 0.00 C ATOM 724 C PRO A 46 -4.157 2.490 10.679 1.00 0.00 C ATOM 725 O PRO A 46 -3.317 2.041 11.451 1.00 0.00 O ATOM 726 CB PRO A 46 -5.294 4.697 11.208 1.00 0.00 C ATOM 727 CG PRO A 46 -6.366 5.113 10.194 1.00 0.00 C ATOM 728 CD PRO A 46 -5.608 5.183 8.891 1.00 0.00 C ATOM 0 HA PRO A 46 -3.210 4.344 10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.709 4.034 11.967 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.890 5.565 11.729 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.178 4.387 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.811 6.074 10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.252 4.904 8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.264 6.200 8.702 1.00 0.00 H new ATOM 736 N SER A 47 -5.056 1.730 10.058 1.00 0.00 N ATOM 737 CA SER A 47 -5.137 0.289 10.202 1.00 0.00 C ATOM 738 C SER A 47 -3.908 -0.434 9.618 1.00 0.00 C ATOM 739 O SER A 47 -3.593 -1.542 10.046 1.00 0.00 O ATOM 740 CB SER A 47 -6.434 -0.157 9.516 1.00 0.00 C ATOM 741 OG SER A 47 -7.509 0.739 9.762 1.00 0.00 O ATOM 0 H SER A 47 -5.761 2.113 9.428 1.00 0.00 H new ATOM 0 HA SER A 47 -5.146 0.022 11.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.266 -0.234 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.705 -1.152 9.868 1.00 0.00 H new ATOM 0 HG SER A 47 -8.314 0.417 9.305 1.00 0.00 H new ATOM 747 N GLY A 48 -3.190 0.187 8.670 1.00 0.00 N ATOM 748 CA GLY A 48 -2.063 -0.408 7.969 1.00 0.00 C ATOM 749 C GLY A 48 -2.376 -1.824 7.504 1.00 0.00 C ATOM 750 O GLY A 48 -3.341 -2.078 6.781 1.00 0.00 O ATOM 0 H GLY A 48 -3.389 1.141 8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.802 0.209 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.193 -0.424 8.625 1.00 0.00 H new ATOM 754 N SER A 49 -1.538 -2.732 7.980 1.00 0.00 N ATOM 755 CA SER A 49 -1.489 -4.167 7.744 1.00 0.00 C ATOM 756 C SER A 49 -2.804 -4.910 8.010 1.00 0.00 C ATOM 757 O SER A 49 -2.962 -6.046 7.573 1.00 0.00 O ATOM 758 CB SER A 49 -0.392 -4.737 8.659 1.00 0.00 C ATOM 759 OG SER A 49 0.665 -3.803 8.861 1.00 0.00 O ATOM 0 H SER A 49 -0.791 -2.448 8.613 1.00 0.00 H new ATOM 0 HA SER A 49 -1.286 -4.316 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.826 -5.009 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.009 -5.651 8.220 1.00 0.00 H new ATOM 0 HG SER A 49 1.343 -4.198 9.448 1.00 0.00 H new ATOM 765 N ASP A 50 -3.755 -4.291 8.698 1.00 0.00 N ATOM 766 CA ASP A 50 -5.129 -4.759 8.865 1.00 0.00 C ATOM 767 C ASP A 50 -5.777 -5.063 7.513 1.00 0.00 C ATOM 768 O ASP A 50 -6.392 -6.109 7.349 1.00 0.00 O ATOM 769 CB ASP A 50 -5.848 -3.630 9.600 1.00 0.00 C ATOM 770 CG ASP A 50 -7.318 -3.852 9.935 1.00 0.00 C ATOM 771 OD1 ASP A 50 -7.566 -4.673 10.843 1.00 0.00 O ATOM 772 OD2 ASP A 50 -8.135 -3.057 9.416 1.00 0.00 O ATOM 0 H ASP A 50 -3.583 -3.408 9.178 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.179 -5.693 9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.314 -3.436 10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.771 -2.727 8.994 1.00 0.00 H new ATOM 777 N LEU A 51 -5.516 -4.251 6.482 1.00 0.00 N ATOM 778 CA LEU A 51 -6.037 -4.467 5.136 1.00 0.00 C ATOM 779 C LEU A 51 -5.439 -5.696 4.452 1.00 0.00 C ATOM 780 O LEU A 51 -5.965 -6.140 3.432 1.00 0.00 O ATOM 781 CB LEU A 51 -5.683 -3.235 4.306 1.00 0.00 C ATOM 782 CG LEU A 51 -6.354 -1.930 4.759 1.00 0.00 C ATOM 783 CD1 LEU A 51 -5.828 -0.826 3.848 1.00 0.00 C ATOM 784 CD2 LEU A 51 -7.883 -1.997 4.676 1.00 0.00 C ATOM 0 H LEU A 51 -4.931 -3.419 6.564 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.112 -4.632 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.602 -3.097 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.956 -3.425 3.268 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.115 -1.743 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.278 0.125 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.745 -0.759 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.085 -1.055 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.307 -1.049 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.183 -2.189 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.247 -2.801 5.316 1.00 0.00 H new ATOM 796 N ILE A 52 -4.327 -6.205 4.975 1.00 0.00 N ATOM 797 CA ILE A 52 -3.544 -7.293 4.410 1.00 0.00 C ATOM 798 C ILE A 52 -3.855 -8.582 5.187 1.00 0.00 C ATOM 799 O ILE A 52 -3.824 -9.659 4.596 1.00 0.00 O ATOM 800 CB ILE A 52 -2.064 -6.868 4.415 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.845 -5.796 3.322 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.997 -7.974 4.302 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.434 -5.209 3.334 1.00 0.00 C ATOM 0 H ILE A 52 -3.931 -5.851 5.846 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.799 -7.507 3.372 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.901 -6.482 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.041 -6.237 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.568 -4.992 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.004 -7.525 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.098 -8.664 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.134 -8.517 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.343 -4.463 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.243 -4.740 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.292 -6.004 3.167 1.00 0.00 H new ATOM 815 N TYR A 53 -4.167 -8.493 6.490 1.00 0.00 N ATOM 816 CA TYR A 53 -4.278 -9.643 7.369 1.00 0.00 C ATOM 817 C TYR A 53 -5.669 -9.846 7.975 1.00 0.00 C ATOM 818 O TYR A 53 -5.999 -10.984 8.314 1.00 0.00 O ATOM 819 CB TYR A 53 -3.231 -9.466 8.469 1.00 0.00 C ATOM 820 CG TYR A 53 -1.791 -9.610 8.001 1.00 0.00 C ATOM 821 CD1 TYR A 53 -1.370 -10.793 7.360 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.873 -8.560 8.195 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.049 -10.923 6.901 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.453 -8.682 7.741 1.00 0.00 C ATOM 825 CZ TYR A 53 0.868 -9.864 7.088 1.00 0.00 C ATOM 826 OH TYR A 53 2.149 -9.974 6.643 1.00 0.00 O ATOM 0 H TYR A 53 -4.349 -7.605 6.957 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.107 -10.542 6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.357 -8.480 8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.419 -10.199 9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.068 -11.605 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.189 -7.656 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.265 -11.830 6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.153 -7.873 7.891 1.00 0.00 H new ATOM 0 HH TYR A 53 2.172 -10.554 5.854 1.00 0.00 H new ATOM 836 N TYR A 54 -6.488 -8.800 8.105 1.00 0.00 N ATOM 837 CA TYR A 54 -7.828 -8.845 8.690 1.00 0.00 C ATOM 838 C TYR A 54 -8.811 -8.113 7.750 1.00 0.00 C ATOM 839 O TYR A 54 -9.443 -7.140 8.155 1.00 0.00 O ATOM 840 CB TYR A 54 -7.792 -8.233 10.110 1.00 0.00 C ATOM 841 CG TYR A 54 -6.631 -8.653 11.004 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.321 -10.013 11.197 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.833 -7.667 11.618 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.189 -10.388 11.942 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.709 -8.031 12.381 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.374 -9.394 12.530 1.00 0.00 C ATOM 847 OH TYR A 54 -3.260 -9.747 13.230 1.00 0.00 O ATOM 0 H TYR A 54 -6.226 -7.865 7.794 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.174 -9.873 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.772 -7.148 10.013 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.722 -8.491 10.616 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.957 -10.774 10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.087 -6.624 11.502 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.943 -11.432 12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.104 -7.270 12.851 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.815 -8.941 13.565 1.00 0.00 H new ATOM 857 N PRO A 55 -8.913 -8.524 6.472 1.00 0.00 N ATOM 858 CA PRO A 55 -9.464 -7.673 5.428 1.00 0.00 C ATOM 859 C PRO A 55 -10.981 -7.445 5.535 1.00 0.00 C ATOM 860 O PRO A 55 -11.712 -8.168 6.212 1.00 0.00 O ATOM 861 CB PRO A 55 -9.087 -8.378 4.126 1.00 0.00 C ATOM 862 CG PRO A 55 -9.002 -9.838 4.493 1.00 0.00 C ATOM 863 CD PRO A 55 -8.414 -9.769 5.900 1.00 0.00 C ATOM 0 HA PRO A 55 -9.058 -6.664 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.835 -8.207 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.137 -8.011 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.979 -10.321 4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.362 -10.396 3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.724 -10.627 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.324 -9.778 5.871 1.00 0.00 H new ATOM 871 N GLU A 56 -11.433 -6.434 4.784 1.00 0.00 N ATOM 872 CA GLU A 56 -12.824 -6.114 4.483 1.00 0.00 C ATOM 873 C GLU A 56 -13.506 -7.225 3.680 1.00 0.00 C ATOM 874 O GLU A 56 -12.955 -8.285 3.405 1.00 0.00 O ATOM 875 CB GLU A 56 -12.877 -4.793 3.678 1.00 0.00 C ATOM 876 CG GLU A 56 -13.662 -3.645 4.327 1.00 0.00 C ATOM 877 CD GLU A 56 -15.182 -3.787 4.163 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.599 -4.268 3.082 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.919 -3.460 5.116 1.00 0.00 O ATOM 0 H GLU A 56 -10.790 -5.777 4.343 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.358 -6.011 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.856 -4.456 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.316 -5.002 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.420 -3.602 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.342 -2.700 3.888 1.00 0.00 H new ATOM 886 N GLY A 57 -14.709 -6.890 3.235 1.00 0.00 N ATOM 887 CA GLY A 57 -15.572 -7.673 2.352 1.00 0.00 C ATOM 888 C GLY A 57 -15.606 -7.135 0.924 1.00 0.00 C ATOM 889 O GLY A 57 -16.002 -7.833 -0.008 1.00 0.00 O ATOM 0 H GLY A 57 -15.140 -6.004 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.226 -8.707 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.584 -7.681 2.756 1.00 0.00 H new ATOM 893 N ASN A 58 -15.156 -5.897 0.743 1.00 0.00 N ATOM 894 CA ASN A 58 -14.691 -5.360 -0.536 1.00 0.00 C ATOM 895 C ASN A 58 -13.371 -6.038 -0.953 1.00 0.00 C ATOM 896 O ASN A 58 -12.926 -5.890 -2.093 1.00 0.00 O ATOM 897 CB ASN A 58 -14.504 -3.838 -0.388 1.00 0.00 C ATOM 898 CG ASN A 58 -14.082 -3.136 -1.679 1.00 0.00 C ATOM 899 OD1 ASN A 58 -14.893 -2.518 -2.368 1.00 0.00 O ATOM 900 ND2 ASN A 58 -12.814 -3.139 -2.045 1.00 0.00 N ATOM 0 H ASN A 58 -15.102 -5.219 1.503 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.426 -5.562 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.438 -3.400 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.754 -3.647 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.524 -2.636 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.124 -3.644 -1.489 1.00 0.00 H new ATOM 907 N ASN A 59 -12.724 -6.750 -0.030 1.00 0.00 N ATOM 908 CA ASN A 59 -11.356 -7.230 -0.074 1.00 0.00 C ATOM 909 C ASN A 59 -11.336 -8.750 0.106 1.00 0.00 C ATOM 910 O ASN A 59 -12.365 -9.313 0.466 1.00 0.00 O ATOM 911 CB ASN A 59 -10.646 -6.463 1.047 1.00 0.00 C ATOM 912 CG ASN A 59 -9.135 -6.601 1.102 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.494 -7.103 0.187 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.572 -6.145 2.210 1.00 0.00 N ATOM 0 H ASN A 59 -13.188 -7.025 0.836 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.851 -7.055 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.890 -5.405 0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.055 -6.795 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.561 -6.204 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.149 -5.735 2.944 1.00 0.00 H new ATOM 921 N ASP A 60 -10.195 -9.381 -0.203 1.00 0.00 N ATOM 922 CA ASP A 60 -9.861 -10.821 -0.304 1.00 0.00 C ATOM 923 C ASP A 60 -9.324 -11.091 -1.706 1.00 0.00 C ATOM 924 O ASP A 60 -8.217 -11.588 -1.893 1.00 0.00 O ATOM 925 CB ASP A 60 -11.041 -11.789 -0.048 1.00 0.00 C ATOM 926 CG ASP A 60 -10.744 -13.235 -0.478 1.00 0.00 C ATOM 927 OD1 ASP A 60 -10.186 -13.993 0.345 1.00 0.00 O ATOM 928 OD2 ASP A 60 -11.135 -13.584 -1.619 1.00 0.00 O ATOM 0 H ASP A 60 -9.369 -8.823 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.132 -11.015 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.289 -11.776 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.919 -11.431 -0.585 1.00 0.00 H new ATOM 933 N GLY A 61 -10.103 -10.670 -2.703 1.00 0.00 N ATOM 934 CA GLY A 61 -10.005 -11.220 -4.046 1.00 0.00 C ATOM 935 C GLY A 61 -8.736 -10.863 -4.810 1.00 0.00 C ATOM 936 O GLY A 61 -8.424 -11.523 -5.806 1.00 0.00 O ATOM 0 H GLY A 61 -10.812 -9.944 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.076 -12.306 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.864 -10.878 -4.623 1.00 0.00 H new ATOM 940 N SER A 62 -8.035 -9.781 -4.456 1.00 0.00 N ATOM 941 CA SER A 62 -6.891 -9.309 -5.174 1.00 0.00 C ATOM 942 C SER A 62 -6.159 -8.231 -4.361 1.00 0.00 C ATOM 943 O SER A 62 -6.814 -7.522 -3.599 1.00 0.00 O ATOM 944 CB SER A 62 -7.488 -8.674 -6.420 1.00 0.00 C ATOM 945 OG SER A 62 -7.400 -9.564 -7.509 1.00 0.00 O ATOM 0 H SER A 62 -8.268 -9.211 -3.643 1.00 0.00 H new ATOM 0 HA SER A 62 -6.173 -10.101 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.530 -8.411 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.961 -7.749 -6.654 1.00 0.00 H new ATOM 0 HG SER A 62 -7.714 -10.450 -7.233 1.00 0.00 H new ATOM 951 N PRO A 63 -4.868 -7.964 -4.644 1.00 0.00 N ATOM 952 CA PRO A 63 -4.113 -6.841 -4.068 1.00 0.00 C ATOM 953 C PRO A 63 -4.713 -5.477 -4.449 1.00 0.00 C ATOM 954 O PRO A 63 -4.492 -4.462 -3.794 1.00 0.00 O ATOM 955 CB PRO A 63 -2.696 -6.987 -4.642 1.00 0.00 C ATOM 956 CG PRO A 63 -2.908 -7.719 -5.965 1.00 0.00 C ATOM 957 CD PRO A 63 -4.068 -8.653 -5.648 1.00 0.00 C ATOM 0 HA PRO A 63 -4.134 -6.871 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.225 -6.016 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.050 -7.553 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.152 -7.031 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.018 -8.268 -6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.657 -8.863 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.708 -9.610 -5.272 1.00 0.00 H new ATOM 965 N GLU A 64 -5.515 -5.468 -5.507 1.00 0.00 N ATOM 966 CA GLU A 64 -6.240 -4.351 -6.071 1.00 0.00 C ATOM 967 C GLU A 64 -7.189 -3.781 -5.033 1.00 0.00 C ATOM 968 O GLU A 64 -7.309 -2.569 -4.898 1.00 0.00 O ATOM 969 CB GLU A 64 -7.072 -4.868 -7.250 1.00 0.00 C ATOM 970 CG GLU A 64 -6.281 -5.504 -8.409 1.00 0.00 C ATOM 971 CD GLU A 64 -5.329 -4.575 -9.174 1.00 0.00 C ATOM 972 OE1 GLU A 64 -4.877 -3.541 -8.642 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.900 -4.956 -10.285 1.00 0.00 O ATOM 0 H GLU A 64 -5.685 -6.324 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.539 -3.580 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.781 -5.605 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.656 -4.038 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.700 -6.336 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.993 -5.924 -9.119 1.00 0.00 H new ATOM 980 N ALA A 65 -7.845 -4.670 -4.291 1.00 0.00 N ATOM 981 CA ALA A 65 -8.700 -4.326 -3.172 1.00 0.00 C ATOM 982 C ALA A 65 -7.949 -3.570 -2.070 1.00 0.00 C ATOM 983 O ALA A 65 -8.580 -2.781 -1.379 1.00 0.00 O ATOM 984 CB ALA A 65 -9.363 -5.573 -2.603 1.00 0.00 C ATOM 0 H ALA A 65 -7.791 -5.674 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.468 -3.654 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.001 -5.295 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.967 -6.049 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.597 -6.269 -2.261 1.00 0.00 H new ATOM 990 N VAL A 66 -6.626 -3.708 -1.928 1.00 0.00 N ATOM 991 CA VAL A 66 -5.908 -2.804 -1.014 1.00 0.00 C ATOM 992 C VAL A 66 -5.711 -1.454 -1.705 1.00 0.00 C ATOM 993 O VAL A 66 -5.829 -0.421 -1.059 1.00 0.00 O ATOM 994 CB VAL A 66 -4.561 -3.396 -0.555 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.822 -2.450 0.384 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.700 -4.771 0.133 1.00 0.00 C ATOM 0 H VAL A 66 -6.051 -4.401 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.507 -2.670 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.986 -3.533 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.877 -2.902 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.626 -1.508 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.433 -2.263 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.715 -5.130 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.333 -4.674 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.151 -5.481 -0.561 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.415 -1.406 -3.006 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.166 -0.127 -3.693 1.00 0.00 C ATOM 1008 C ILE A 67 -6.418 0.705 -3.680 1.00 0.00 C ATOM 1009 O ILE A 67 -6.352 1.904 -3.421 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.642 -0.351 -5.137 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.112 -0.374 -5.118 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -5.049 0.692 -6.191 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.657 -1.398 -4.096 1.00 0.00 C ATOM 0 H ILE A 67 -5.341 -2.228 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.385 0.413 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.105 -1.291 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.725 -0.627 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.722 0.612 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.620 0.421 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.136 0.722 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.681 1.674 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.568 -1.427 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.036 -1.123 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.040 -2.381 -4.371 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.534 0.035 -3.921 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.859 0.484 -3.581 1.00 0.00 C ATOM 1027 C LYS A 68 -8.831 1.087 -2.227 1.00 0.00 C ATOM 1028 O LYS A 68 -8.956 2.288 -2.157 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.842 -0.666 -3.595 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.348 -0.902 -4.997 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.819 -1.361 -5.000 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.792 -0.295 -4.454 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.082 -0.354 -2.996 1.00 0.00 N ATOM 0 H LYS A 68 -7.532 -0.876 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.179 1.219 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.362 -1.569 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.678 -0.447 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.251 0.015 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.730 -1.656 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.109 -1.621 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.911 -2.267 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.384 0.690 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.735 -0.383 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.254 0.607 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.925 -0.941 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.270 -0.770 -2.497 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.640 0.316 -1.181 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.913 0.751 0.149 1.00 0.00 C ATOM 1049 C GLU A 69 -7.976 1.878 0.572 1.00 0.00 C ATOM 1050 O GLU A 69 -8.318 2.665 1.446 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.764 -0.515 0.975 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.133 -1.063 1.430 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.043 -1.547 0.274 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.481 -0.740 -0.589 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.378 -2.752 0.248 1.00 0.00 O ATOM 0 H GLU A 69 -8.287 -0.639 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.904 1.189 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.245 -1.273 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.146 -0.309 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.969 -1.892 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.656 -0.285 1.987 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.835 2.034 -0.097 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.911 3.104 0.085 1.00 0.00 C ATOM 1064 C ILE A 70 -6.578 4.310 -0.563 1.00 0.00 C ATOM 1065 O ILE A 70 -6.834 5.291 0.124 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.573 2.763 -0.531 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.822 1.716 0.307 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.715 4.019 -0.678 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.408 0.994 1.526 1.00 0.00 C ATOM 0 H ILE A 70 -6.533 1.373 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.691 3.305 1.134 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.763 2.341 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.518 0.934 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.912 2.205 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.756 3.754 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.227 4.736 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.549 4.463 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.667 0.306 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.679 1.726 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.295 0.436 1.227 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.852 4.251 -1.879 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.576 5.314 -2.593 1.00 0.00 C ATOM 1083 C LYS A 71 -8.807 5.724 -1.801 1.00 0.00 C ATOM 1084 O LYS A 71 -9.011 6.923 -1.608 1.00 0.00 O ATOM 1085 CB LYS A 71 -8.053 4.887 -3.995 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.940 4.543 -4.990 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.399 3.477 -6.001 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.424 3.996 -7.014 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.759 4.509 -8.230 1.00 0.00 N ATOM 0 H LYS A 71 -6.579 3.468 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.869 6.137 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.705 4.020 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.657 5.691 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.635 5.444 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.066 4.181 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.529 3.099 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.830 2.635 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.112 3.194 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.019 4.788 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.418 5.119 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.919 5.059 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.472 3.711 -8.832 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.611 4.761 -1.359 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.891 5.007 -0.791 1.00 0.00 C ATOM 1105 C GLU A 72 -10.748 5.650 0.582 1.00 0.00 C ATOM 1106 O GLU A 72 -11.333 6.706 0.822 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.578 3.646 -0.750 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.923 3.665 -1.445 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.809 3.422 -2.955 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.201 4.262 -3.657 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.344 2.379 -3.403 1.00 0.00 O ATOM 0 H GLU A 72 -9.365 3.772 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.487 5.712 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.937 2.902 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.711 3.339 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.566 2.902 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.405 4.627 -1.271 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.929 5.068 1.464 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.597 5.650 2.752 1.00 0.00 C ATOM 1120 C TRP A 73 -9.070 7.054 2.582 1.00 0.00 C ATOM 1121 O TRP A 73 -9.559 7.957 3.262 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.608 4.786 3.500 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.312 5.331 4.850 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.015 5.071 5.970 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.283 6.282 5.217 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.490 5.804 7.015 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.452 6.610 6.589 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.225 6.895 4.519 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.623 7.535 7.235 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.367 7.798 5.162 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.576 8.133 6.502 1.00 0.00 C ATOM 0 H TRP A 73 -9.477 4.170 1.294 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.509 5.700 3.346 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.006 3.776 3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.684 4.712 2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.856 4.396 6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.825 5.757 7.977 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.072 6.667 3.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.782 7.786 8.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.542 8.236 4.620 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.931 8.855 6.981 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.087 7.257 1.701 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.510 8.560 1.479 1.00 0.00 C ATOM 1144 C ARG A 74 -8.613 9.516 1.071 1.00 0.00 C ATOM 1145 O ARG A 74 -8.745 10.541 1.729 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.401 8.451 0.430 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.221 7.609 0.931 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.287 8.350 1.879 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.481 9.356 1.179 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.428 10.000 1.683 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.899 9.636 2.839 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.932 11.039 1.021 1.00 0.00 N ATOM 0 H ARG A 74 -7.679 6.517 1.130 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.052 8.950 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.804 8.006 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.050 9.449 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.608 6.725 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.648 7.259 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.873 8.834 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.628 7.635 2.371 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.750 9.583 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.297 8.853 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.093 10.138 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.356 11.333 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.127 11.543 1.392 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.404 9.214 0.041 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.362 10.166 -0.460 1.00 0.00 C ATOM 1168 C ALA A 75 -11.473 10.441 0.554 1.00 0.00 C ATOM 1169 O ALA A 75 -11.898 11.589 0.670 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.935 9.687 -1.797 1.00 0.00 C ATOM 0 H ALA A 75 -9.392 8.321 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.844 11.111 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.658 10.415 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.128 9.579 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.428 8.725 -1.658 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.912 9.429 1.310 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.874 9.591 2.392 1.00 0.00 C ATOM 1178 C ALA A 76 -12.306 10.544 3.443 1.00 0.00 C ATOM 1179 O ALA A 76 -12.985 11.479 3.861 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.216 8.227 3.004 1.00 0.00 C ATOM 0 H ALA A 76 -11.602 8.466 1.182 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.796 10.021 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.936 8.361 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.646 7.582 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.310 7.768 3.398 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.046 10.344 3.839 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.313 11.238 4.714 1.00 0.00 C ATOM 1188 C ASN A 77 -9.886 12.558 4.042 1.00 0.00 C ATOM 1189 O ASN A 77 -9.158 13.340 4.654 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.114 10.454 5.249 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.525 9.525 6.379 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.457 9.875 7.551 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.003 8.341 6.046 1.00 0.00 N ATOM 0 H ASN A 77 -10.501 9.532 3.548 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.966 11.559 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.666 9.874 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.352 11.148 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.324 7.699 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.051 8.068 5.064 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.306 12.840 2.803 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.004 14.079 2.092 1.00 0.00 C ATOM 1202 C GLY A 78 -8.530 14.223 1.705 1.00 0.00 C ATOM 1203 O GLY A 78 -8.055 15.339 1.487 1.00 0.00 O ATOM 0 H GLY A 78 -10.878 12.195 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.614 14.128 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.291 14.925 2.717 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.772 13.128 1.645 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.363 13.092 1.346 1.00 0.00 C ATOM 1209 C LYS A 79 -6.208 12.794 -0.143 1.00 0.00 C ATOM 1210 O LYS A 79 -7.052 12.131 -0.743 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.762 11.949 2.168 1.00 0.00 C ATOM 1212 CG LYS A 79 -5.910 12.035 3.702 1.00 0.00 C ATOM 1213 CD LYS A 79 -4.573 12.101 4.452 1.00 0.00 C ATOM 1214 CE LYS A 79 -3.954 13.498 4.332 1.00 0.00 C ATOM 1215 NZ LYS A 79 -2.611 13.557 4.945 1.00 0.00 N ATOM 0 H LYS A 79 -8.157 12.199 1.815 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.867 14.033 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.218 11.017 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.699 11.885 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.500 12.917 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.470 11.168 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.727 11.855 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.886 11.357 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.886 13.776 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.606 14.227 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.325 14.550 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.634 13.094 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.928 13.068 4.332 1.00 0.00 H new ATOM 1229 N SER A 80 -5.091 13.209 -0.734 1.00 0.00 N ATOM 1230 CA SER A 80 -4.737 12.817 -2.087 1.00 0.00 C ATOM 1231 C SER A 80 -4.438 11.314 -2.128 1.00 0.00 C ATOM 1232 O SER A 80 -3.816 10.785 -1.199 1.00 0.00 O ATOM 1233 CB SER A 80 -3.528 13.653 -2.526 1.00 0.00 C ATOM 1234 OG SER A 80 -2.537 13.708 -1.508 1.00 0.00 O ATOM 0 H SER A 80 -4.411 13.824 -0.287 1.00 0.00 H new ATOM 0 HA SER A 80 -5.561 13.002 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.098 13.225 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.853 14.663 -2.774 1.00 0.00 H new ATOM 0 HG SER A 80 -1.755 13.185 -1.784 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.814 10.645 -3.219 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.304 9.339 -3.594 1.00 0.00 C ATOM 1242 C GLY A 81 -2.937 9.502 -4.247 1.00 0.00 C ATOM 1243 O GLY A 81 -2.264 10.533 -4.089 1.00 0.00 O ATOM 0 H GLY A 81 -5.500 11.012 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.226 8.700 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.993 8.851 -4.283 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.509 8.455 -4.947 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.358 8.485 -5.812 1.00 0.00 C ATOM 1249 C PHE A 82 -1.606 9.390 -7.015 1.00 0.00 C ATOM 1250 O PHE A 82 -2.588 10.128 -7.104 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.899 7.054 -6.181 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.602 5.904 -5.495 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.845 5.460 -5.977 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.009 5.261 -4.398 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.482 4.370 -5.366 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.668 4.186 -3.779 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.907 3.735 -4.255 1.00 0.00 C ATOM 0 H PHE A 82 -2.971 7.546 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.520 8.929 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.017 6.928 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.167 6.975 -5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.309 5.957 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.049 5.592 -4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.425 4.016 -5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.215 3.701 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.412 2.911 -3.773 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.630 9.363 -7.909 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.509 10.137 -9.112 1.00 0.00 C ATOM 1269 C LYS A 83 -1.801 10.219 -9.918 1.00 0.00 C ATOM 1270 O LYS A 83 -2.508 9.232 -10.096 1.00 0.00 O ATOM 1271 CB LYS A 83 0.569 9.423 -9.911 1.00 0.00 C ATOM 1272 CG LYS A 83 1.399 10.371 -10.801 1.00 0.00 C ATOM 1273 CD LYS A 83 2.401 11.203 -9.972 1.00 0.00 C ATOM 1274 CE LYS A 83 3.487 10.325 -9.323 1.00 0.00 C ATOM 1275 NZ LYS A 83 4.108 10.950 -8.140 1.00 0.00 N ATOM 0 H LYS A 83 0.166 8.737 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.268 11.174 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.237 8.904 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.103 8.663 -10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.940 9.789 -11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.730 11.041 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.873 11.946 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.864 11.748 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.048 9.370 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.260 10.110 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.768 10.278 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.625 11.804 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.369 11.209 -7.456 1.00 0.00 H new