USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 871 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 7 ASN : amide:sc= -3.77! C(o=-3.6!,f=-13!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 150:sc= 0.191 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.048) USER MOD Single : A 14 TYR OH : rot -126:sc= -2.1! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -134:sc= -10.9! USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= -0.0189 (180deg=-0.499) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= -0.212 (180deg=-0.254) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 44 SER OG : rot -68:sc= -6.05! USER MOD Single : A 54 TYR OH : rot 139:sc= 0.0611 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.0099) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0321 (180deg=-0.158) USER MOD Single : A 84 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0572 X(o=-0.057,f=-0.25) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.201 -4.586 2.889 1.00 0.39 N ATOM 45 CA VAL A 4 7.301 -4.773 1.899 1.00 0.84 C ATOM 46 C VAL A 4 8.218 -5.957 2.246 1.00 0.48 C ATOM 47 O VAL A 4 8.456 -6.261 3.392 1.00 0.59 O ATOM 48 CB VAL A 4 8.141 -3.512 1.905 1.00 1.66 C ATOM 49 CG1 VAL A 4 8.841 -3.358 3.257 1.00 2.03 C ATOM 50 CG2 VAL A 4 9.190 -3.608 0.808 1.00 2.75 C ATOM 0 HA VAL A 4 6.851 -4.977 0.927 1.00 0.84 H new ATOM 0 HB VAL A 4 7.497 -2.649 1.733 1.00 1.66 H new ATOM 0 HG11 VAL A 4 9.443 -2.449 3.254 1.00 2.03 H new ATOM 0 HG12 VAL A 4 8.094 -3.296 4.048 1.00 2.03 H new ATOM 0 HG13 VAL A 4 9.485 -4.219 3.433 1.00 2.03 H new ATOM 0 HG21 VAL A 4 9.798 -2.704 0.806 1.00 2.75 H new ATOM 0 HG22 VAL A 4 9.827 -4.474 0.989 1.00 2.75 H new ATOM 0 HG23 VAL A 4 8.697 -3.716 -0.158 1.00 2.75 H new ATOM 60 N LEU A 5 8.785 -6.579 1.243 1.00 0.25 N ATOM 61 CA LEU A 5 9.762 -7.690 1.467 1.00 0.16 C ATOM 62 C LEU A 5 9.146 -8.874 2.229 1.00 0.10 C ATOM 63 O LEU A 5 8.349 -8.710 3.131 1.00 0.11 O ATOM 64 CB LEU A 5 10.951 -7.120 2.247 1.00 0.43 C ATOM 65 CG LEU A 5 11.158 -5.644 1.862 1.00 0.40 C ATOM 66 CD1 LEU A 5 12.478 -5.141 2.446 1.00 0.52 C ATOM 67 CD2 LEU A 5 11.208 -5.504 0.335 1.00 0.33 C ATOM 0 H LEU A 5 8.610 -6.361 0.262 1.00 0.25 H new ATOM 0 HA LEU A 5 10.076 -8.080 0.499 1.00 0.16 H new ATOM 0 HB2 LEU A 5 10.771 -7.205 3.319 1.00 0.43 H new ATOM 0 HB3 LEU A 5 11.852 -7.694 2.028 1.00 0.43 H new ATOM 0 HG LEU A 5 10.329 -5.058 2.257 1.00 0.40 H new ATOM 0 HD11 LEU A 5 12.622 -4.096 2.172 1.00 0.52 H new ATOM 0 HD12 LEU A 5 12.453 -5.231 3.532 1.00 0.52 H new ATOM 0 HD13 LEU A 5 13.301 -5.737 2.051 1.00 0.52 H new ATOM 0 HD21 LEU A 5 11.355 -4.457 0.070 1.00 0.33 H new ATOM 0 HD22 LEU A 5 12.034 -6.097 -0.058 1.00 0.33 H new ATOM 0 HD23 LEU A 5 10.271 -5.859 -0.094 1.00 0.33 H new ATOM 79 N GLU A 6 9.529 -10.077 1.853 1.00 0.07 N ATOM 80 CA GLU A 6 8.994 -11.307 2.527 1.00 0.08 C ATOM 81 C GLU A 6 10.122 -12.338 2.736 1.00 0.09 C ATOM 82 O GLU A 6 11.092 -12.375 2.006 1.00 0.08 O ATOM 83 CB GLU A 6 7.880 -11.928 1.678 1.00 0.07 C ATOM 84 CG GLU A 6 6.844 -10.859 1.321 1.00 2.49 C ATOM 85 CD GLU A 6 6.018 -11.331 0.122 1.00 2.47 C ATOM 86 OE1 GLU A 6 6.617 -11.718 -0.869 1.00 2.50 O ATOM 87 OE2 GLU A 6 4.802 -11.299 0.214 1.00 2.55 O ATOM 0 H GLU A 6 10.195 -10.259 1.102 1.00 0.07 H new ATOM 0 HA GLU A 6 8.590 -11.022 3.499 1.00 0.08 H new ATOM 0 HB2 GLU A 6 8.300 -12.359 0.769 1.00 0.07 H new ATOM 0 HB3 GLU A 6 7.403 -12.741 2.225 1.00 0.07 H new ATOM 0 HG2 GLU A 6 6.192 -10.670 2.174 1.00 2.49 H new ATOM 0 HG3 GLU A 6 7.342 -9.918 1.086 1.00 2.49 H new ATOM 94 N ASN A 7 9.995 -13.161 3.750 1.00 0.13 N ATOM 95 CA ASN A 7 11.040 -14.186 4.060 1.00 0.15 C ATOM 96 C ASN A 7 10.863 -15.437 3.199 1.00 0.19 C ATOM 97 O ASN A 7 10.294 -16.425 3.622 1.00 0.22 O ATOM 98 CB ASN A 7 10.908 -14.602 5.522 1.00 0.20 C ATOM 99 CG ASN A 7 9.455 -14.984 5.816 1.00 0.12 C ATOM 100 OD1 ASN A 7 8.623 -14.130 6.047 1.00 0.33 O ATOM 101 ND2 ASN A 7 9.114 -16.244 5.819 1.00 0.47 N ATOM 0 H ASN A 7 9.197 -13.165 4.386 1.00 0.13 H new ATOM 0 HA ASN A 7 12.016 -13.746 3.856 1.00 0.15 H new ATOM 0 HB2 ASN A 7 11.566 -15.445 5.732 1.00 0.20 H new ATOM 0 HB3 ASN A 7 11.219 -13.785 6.173 1.00 0.20 H new ATOM 0 HD21 ASN A 7 8.149 -16.511 6.015 1.00 0.47 H new ATOM 0 HD22 ASN A 7 9.812 -16.962 5.625 1.00 0.47 H new ATOM 108 N ARG A 8 11.344 -15.399 2.002 1.00 0.19 N ATOM 109 CA ARG A 8 11.209 -16.579 1.096 1.00 0.24 C ATOM 110 C ARG A 8 12.217 -17.697 1.423 1.00 0.18 C ATOM 111 O ARG A 8 11.901 -18.858 1.347 1.00 0.18 O ATOM 112 CB ARG A 8 11.471 -16.138 -0.339 1.00 0.33 C ATOM 113 CG ARG A 8 11.452 -17.369 -1.247 1.00 0.41 C ATOM 114 CD ARG A 8 10.430 -17.167 -2.366 1.00 0.27 C ATOM 115 NE ARG A 8 9.053 -17.192 -1.797 1.00 2.59 N ATOM 116 CZ ARG A 8 8.028 -17.350 -2.587 1.00 3.15 C ATOM 117 NH1 ARG A 8 7.650 -18.551 -2.934 1.00 3.87 N ATOM 118 NH2 ARG A 8 7.378 -16.308 -3.029 1.00 2.99 N ATOM 0 H ARG A 8 11.831 -14.599 1.599 1.00 0.19 H new ATOM 0 HA ARG A 8 10.200 -16.968 1.231 1.00 0.24 H new ATOM 0 HB2 ARG A 8 10.713 -15.423 -0.658 1.00 0.33 H new ATOM 0 HB3 ARG A 8 12.435 -15.633 -0.408 1.00 0.33 H new ATOM 0 HG2 ARG A 8 12.442 -17.535 -1.671 1.00 0.41 H new ATOM 0 HG3 ARG A 8 11.200 -18.257 -0.667 1.00 0.41 H new ATOM 0 HD2 ARG A 8 10.609 -16.217 -2.869 1.00 0.27 H new ATOM 0 HD3 ARG A 8 10.538 -17.950 -3.117 1.00 0.27 H new ATOM 0 HE ARG A 8 8.913 -17.086 -0.792 1.00 2.59 H new ATOM 0 HH11 ARG A 8 8.157 -19.365 -2.587 1.00 3.87 H new ATOM 0 HH12 ARG A 8 6.848 -18.675 -3.552 1.00 3.87 H new ATOM 0 HH21 ARG A 8 7.672 -15.370 -2.756 1.00 2.99 H new ATOM 0 HH22 ARG A 8 6.576 -16.432 -3.647 1.00 2.99 H new ATOM 132 N ARG A 9 13.444 -17.362 1.696 1.00 0.14 N ATOM 133 CA ARG A 9 14.490 -18.418 1.918 1.00 0.13 C ATOM 134 C ARG A 9 14.186 -19.403 3.058 1.00 0.08 C ATOM 135 O ARG A 9 14.522 -20.561 2.951 1.00 0.13 O ATOM 136 CB ARG A 9 15.832 -17.745 2.209 1.00 0.17 C ATOM 137 CG ARG A 9 16.807 -18.773 2.790 1.00 0.85 C ATOM 138 CD ARG A 9 18.225 -18.452 2.315 1.00 0.43 C ATOM 139 NE ARG A 9 18.857 -19.686 1.770 1.00 1.09 N ATOM 140 CZ ARG A 9 19.177 -19.749 0.505 1.00 1.95 C ATOM 141 NH1 ARG A 9 18.261 -20.006 -0.390 1.00 3.50 N ATOM 142 NH2 ARG A 9 20.412 -19.550 0.134 1.00 2.36 N ATOM 0 H ARG A 9 13.777 -16.401 1.777 1.00 0.14 H new ATOM 0 HA ARG A 9 14.509 -19.005 1.000 1.00 0.13 H new ATOM 0 HB2 ARG A 9 16.242 -17.317 1.294 1.00 0.17 H new ATOM 0 HB3 ARG A 9 15.693 -16.923 2.911 1.00 0.17 H new ATOM 0 HG2 ARG A 9 16.764 -18.757 3.879 1.00 0.85 H new ATOM 0 HG3 ARG A 9 16.524 -19.777 2.475 1.00 0.85 H new ATOM 0 HD2 ARG A 9 18.197 -17.676 1.550 1.00 0.43 H new ATOM 0 HD3 ARG A 9 18.818 -18.062 3.142 1.00 0.43 H new ATOM 0 HE ARG A 9 19.040 -20.480 2.383 1.00 1.09 H new ATOM 0 HH11 ARG A 9 17.294 -20.158 -0.102 1.00 3.50 H new ATOM 0 HH12 ARG A 9 18.512 -20.055 -1.377 1.00 3.50 H new ATOM 0 HH21 ARG A 9 21.127 -19.345 0.832 1.00 2.36 H new ATOM 0 HH22 ARG A 9 20.662 -19.599 -0.854 1.00 2.36 H new ATOM 156 N ALA A 10 13.635 -18.984 4.162 1.00 0.09 N ATOM 157 CA ALA A 10 13.417 -19.958 5.271 1.00 0.16 C ATOM 158 C ALA A 10 12.066 -20.650 5.169 1.00 0.16 C ATOM 159 O ALA A 10 11.971 -21.854 5.315 1.00 0.15 O ATOM 160 CB ALA A 10 13.522 -19.232 6.615 1.00 0.27 C ATOM 0 H ALA A 10 13.330 -18.028 4.345 1.00 0.09 H new ATOM 0 HA ALA A 10 14.187 -20.726 5.194 1.00 0.16 H new ATOM 0 HB1 ALA A 10 13.363 -19.943 7.426 1.00 0.27 H new ATOM 0 HB2 ALA A 10 14.512 -18.787 6.712 1.00 0.27 H new ATOM 0 HB3 ALA A 10 12.766 -18.449 6.665 1.00 0.27 H new ATOM 166 N ARG A 11 11.023 -19.931 4.912 1.00 0.22 N ATOM 167 CA ARG A 11 9.708 -20.604 4.801 1.00 0.30 C ATOM 168 C ARG A 11 9.703 -21.409 3.513 1.00 0.29 C ATOM 169 O ARG A 11 9.023 -22.408 3.385 1.00 0.35 O ATOM 170 CB ARG A 11 8.586 -19.564 4.759 1.00 0.37 C ATOM 171 CG ARG A 11 7.235 -20.283 4.690 1.00 0.80 C ATOM 172 CD ARG A 11 6.174 -19.337 4.125 1.00 1.52 C ATOM 173 NE ARG A 11 5.240 -20.107 3.258 1.00 1.86 N ATOM 174 CZ ARG A 11 5.690 -20.720 2.198 1.00 3.65 C ATOM 175 NH1 ARG A 11 6.510 -20.106 1.389 1.00 5.71 N ATOM 176 NH2 ARG A 11 5.322 -21.947 1.947 1.00 3.83 N ATOM 0 H ARG A 11 11.019 -18.920 4.775 1.00 0.22 H new ATOM 0 HA ARG A 11 9.545 -21.253 5.661 1.00 0.30 H new ATOM 0 HB2 ARG A 11 8.629 -18.929 5.644 1.00 0.37 H new ATOM 0 HB3 ARG A 11 8.710 -18.913 3.894 1.00 0.37 H new ATOM 0 HG2 ARG A 11 7.316 -21.170 4.062 1.00 0.80 H new ATOM 0 HG3 ARG A 11 6.942 -20.622 5.684 1.00 0.80 H new ATOM 0 HD2 ARG A 11 5.625 -18.861 4.937 1.00 1.52 H new ATOM 0 HD3 ARG A 11 6.648 -18.541 3.551 1.00 1.52 H new ATOM 0 HE ARG A 11 4.249 -20.155 3.493 1.00 1.86 H new ATOM 0 HH11 ARG A 11 6.798 -19.148 1.586 1.00 5.71 H new ATOM 0 HH12 ARG A 11 6.862 -20.585 0.560 1.00 5.71 H new ATOM 0 HH21 ARG A 11 4.682 -22.427 2.580 1.00 3.83 H new ATOM 0 HH22 ARG A 11 5.674 -22.426 1.118 1.00 3.83 H new ATOM 190 N HIS A 12 10.460 -20.967 2.550 1.00 0.23 N ATOM 191 CA HIS A 12 10.511 -21.688 1.250 1.00 0.27 C ATOM 192 C HIS A 12 11.685 -22.657 1.193 1.00 0.27 C ATOM 193 O HIS A 12 11.582 -23.738 0.649 1.00 0.35 O ATOM 194 CB HIS A 12 10.663 -20.687 0.104 1.00 0.26 C ATOM 195 CG HIS A 12 10.195 -21.326 -1.175 1.00 0.35 C ATOM 196 ND1 HIS A 12 10.804 -21.074 -2.396 1.00 1.84 N ATOM 197 CD2 HIS A 12 9.184 -22.218 -1.438 1.00 0.93 C ATOM 198 CE1 HIS A 12 10.158 -21.800 -3.328 1.00 1.51 C ATOM 199 NE2 HIS A 12 9.163 -22.515 -2.798 1.00 0.23 N ATOM 0 H HIS A 12 11.047 -20.135 2.607 1.00 0.23 H new ATOM 0 HA HIS A 12 9.581 -22.248 1.153 1.00 0.27 H new ATOM 0 HB2 HIS A 12 10.081 -19.789 0.310 1.00 0.26 H new ATOM 0 HB3 HIS A 12 11.704 -20.378 0.011 1.00 0.26 H new ATOM 0 HD2 HIS A 12 8.508 -22.627 -0.702 1.00 0.93 H new ATOM 0 HE1 HIS A 12 10.414 -21.803 -4.377 1.00 1.51 H new ATOM 0 HE2 HIS A 12 8.524 -23.144 -3.285 1.00 0.23 H new ATOM 207 N ASP A 13 12.831 -22.242 1.655 1.00 0.23 N ATOM 208 CA ASP A 13 14.025 -23.117 1.510 1.00 0.28 C ATOM 209 C ASP A 13 14.605 -23.666 2.821 1.00 0.27 C ATOM 210 O ASP A 13 15.242 -24.702 2.789 1.00 0.45 O ATOM 211 CB ASP A 13 15.114 -22.330 0.779 1.00 0.30 C ATOM 212 CG ASP A 13 15.390 -22.984 -0.575 1.00 0.62 C ATOM 213 OD1 ASP A 13 15.601 -24.186 -0.599 1.00 0.80 O ATOM 214 OD2 ASP A 13 15.385 -22.274 -1.567 1.00 0.89 O ATOM 0 H ASP A 13 12.991 -21.348 2.120 1.00 0.23 H new ATOM 0 HA ASP A 13 13.688 -23.992 0.954 1.00 0.28 H new ATOM 0 HB2 ASP A 13 14.799 -21.296 0.638 1.00 0.30 H new ATOM 0 HB3 ASP A 13 16.025 -22.307 1.377 1.00 0.30 H new ATOM 219 N TYR A 14 14.491 -23.032 3.963 1.00 0.09 N ATOM 220 CA TYR A 14 15.181 -23.687 5.120 1.00 0.10 C ATOM 221 C TYR A 14 14.549 -23.421 6.508 1.00 0.09 C ATOM 222 O TYR A 14 13.893 -22.425 6.743 1.00 0.07 O ATOM 223 CB TYR A 14 16.646 -23.227 5.120 1.00 0.14 C ATOM 224 CG TYR A 14 17.405 -24.156 6.011 1.00 0.19 C ATOM 225 CD1 TYR A 14 17.428 -23.885 7.363 1.00 0.16 C ATOM 226 CD2 TYR A 14 18.020 -25.318 5.508 1.00 0.32 C ATOM 227 CE1 TYR A 14 18.051 -24.775 8.242 1.00 0.24 C ATOM 228 CE2 TYR A 14 18.658 -26.199 6.385 1.00 0.38 C ATOM 229 CZ TYR A 14 18.661 -25.934 7.756 1.00 0.34 C ATOM 230 OH TYR A 14 19.247 -26.826 8.629 1.00 0.41 O ATOM 0 H TYR A 14 13.993 -22.160 4.141 1.00 0.09 H new ATOM 0 HA TYR A 14 15.080 -24.762 4.973 1.00 0.10 H new ATOM 0 HB2 TYR A 14 17.054 -23.245 4.109 1.00 0.14 H new ATOM 0 HB3 TYR A 14 16.726 -22.201 5.478 1.00 0.14 H new ATOM 0 HD1 TYR A 14 16.965 -22.986 7.742 1.00 0.16 H new ATOM 0 HD2 TYR A 14 17.999 -25.528 4.449 1.00 0.32 H new ATOM 0 HE1 TYR A 14 18.061 -24.566 9.302 1.00 0.24 H new ATOM 0 HE2 TYR A 14 19.148 -27.083 6.003 1.00 0.38 H new ATOM 0 HH TYR A 14 20.173 -26.991 8.355 1.00 0.41 H new ATOM 240 N GLU A 15 14.801 -24.344 7.436 1.00 0.12 N ATOM 241 CA GLU A 15 14.296 -24.239 8.857 1.00 0.14 C ATOM 242 C GLU A 15 15.272 -23.359 9.636 1.00 0.18 C ATOM 243 O GLU A 15 16.443 -23.511 9.546 1.00 0.19 O ATOM 244 CB GLU A 15 14.294 -25.633 9.483 1.00 0.18 C ATOM 245 CG GLU A 15 14.176 -25.509 11.002 1.00 0.24 C ATOM 246 CD GLU A 15 13.299 -26.640 11.538 1.00 0.24 C ATOM 247 OE1 GLU A 15 13.835 -27.701 11.812 1.00 0.33 O ATOM 248 OE2 GLU A 15 12.105 -26.426 11.667 1.00 0.53 O ATOM 0 H GLU A 15 15.350 -25.184 7.255 1.00 0.12 H new ATOM 0 HA GLU A 15 13.290 -23.819 8.878 1.00 0.14 H new ATOM 0 HB2 GLU A 15 13.463 -26.219 9.090 1.00 0.18 H new ATOM 0 HB3 GLU A 15 15.210 -26.163 9.221 1.00 0.18 H new ATOM 0 HG2 GLU A 15 15.165 -25.553 11.459 1.00 0.24 H new ATOM 0 HG3 GLU A 15 13.745 -24.543 11.267 1.00 0.24 H new ATOM 255 N ILE A 16 14.850 -22.402 10.359 1.00 0.22 N ATOM 256 CA ILE A 16 15.889 -21.546 10.978 1.00 0.26 C ATOM 257 C ILE A 16 16.411 -21.982 12.355 1.00 0.35 C ATOM 258 O ILE A 16 15.700 -22.139 13.326 1.00 0.46 O ATOM 259 CB ILE A 16 15.382 -20.127 10.940 1.00 0.31 C ATOM 260 CG1 ILE A 16 15.447 -19.698 9.464 1.00 0.21 C ATOM 261 CG2 ILE A 16 16.243 -19.213 11.811 1.00 0.38 C ATOM 262 CD1 ILE A 16 16.875 -19.838 8.932 1.00 0.08 C ATOM 0 H ILE A 16 13.877 -22.166 10.554 1.00 0.22 H new ATOM 0 HA ILE A 16 16.799 -21.650 10.387 1.00 0.26 H new ATOM 0 HB ILE A 16 14.367 -20.058 11.332 1.00 0.31 H new ATOM 0 HG12 ILE A 16 14.769 -20.311 8.870 1.00 0.21 H new ATOM 0 HG13 ILE A 16 15.114 -18.665 9.364 1.00 0.21 H new ATOM 0 HG21 ILE A 16 15.855 -18.195 11.765 1.00 0.38 H new ATOM 0 HG22 ILE A 16 16.219 -19.565 12.842 1.00 0.38 H new ATOM 0 HG23 ILE A 16 17.270 -19.226 11.447 1.00 0.38 H new ATOM 0 HD11 ILE A 16 16.906 -19.531 7.887 1.00 0.08 H new ATOM 0 HD12 ILE A 16 17.544 -19.206 9.516 1.00 0.08 H new ATOM 0 HD13 ILE A 16 17.194 -20.877 9.014 1.00 0.08 H new ATOM 274 N LEU A 17 17.716 -22.164 12.367 1.00 0.34 N ATOM 275 CA LEU A 17 18.515 -22.584 13.550 1.00 0.45 C ATOM 276 C LEU A 17 18.622 -21.457 14.614 1.00 0.54 C ATOM 277 O LEU A 17 18.011 -21.529 15.663 1.00 0.58 O ATOM 278 CB LEU A 17 19.889 -22.885 12.946 1.00 0.49 C ATOM 279 CG LEU A 17 20.846 -23.526 13.933 1.00 0.63 C ATOM 280 CD1 LEU A 17 22.126 -23.928 13.175 1.00 0.44 C ATOM 281 CD2 LEU A 17 21.190 -22.505 15.012 1.00 1.37 C ATOM 0 H LEU A 17 18.290 -22.024 11.535 1.00 0.34 H new ATOM 0 HA LEU A 17 18.068 -23.428 14.075 1.00 0.45 H new ATOM 0 HB2 LEU A 17 19.765 -23.546 12.088 1.00 0.49 H new ATOM 0 HB3 LEU A 17 20.327 -21.958 12.574 1.00 0.49 H new ATOM 0 HG LEU A 17 20.396 -24.406 14.393 1.00 0.63 H new ATOM 0 HD11 LEU A 17 22.829 -24.392 13.868 1.00 0.44 H new ATOM 0 HD12 LEU A 17 21.874 -24.636 12.385 1.00 0.44 H new ATOM 0 HD13 LEU A 17 22.582 -23.041 12.735 1.00 0.44 H new ATOM 0 HD21 LEU A 17 21.878 -22.952 15.730 1.00 1.37 H new ATOM 0 HD22 LEU A 17 21.659 -21.635 14.553 1.00 1.37 H new ATOM 0 HD23 LEU A 17 20.279 -22.198 15.526 1.00 1.37 H new ATOM 293 N GLU A 18 19.406 -20.428 14.357 1.00 0.57 N ATOM 294 CA GLU A 18 19.571 -19.304 15.359 1.00 0.66 C ATOM 295 C GLU A 18 18.794 -18.067 14.854 1.00 0.65 C ATOM 296 O GLU A 18 18.631 -17.893 13.672 1.00 0.64 O ATOM 297 CB GLU A 18 21.075 -18.994 15.549 1.00 0.59 C ATOM 298 CG GLU A 18 21.300 -18.415 16.948 1.00 0.51 C ATOM 299 CD GLU A 18 21.181 -19.526 17.995 1.00 0.71 C ATOM 300 OE1 GLU A 18 20.663 -20.579 17.659 1.00 0.59 O ATOM 301 OE2 GLU A 18 21.611 -19.306 19.116 1.00 1.08 O ATOM 0 H GLU A 18 19.941 -20.314 13.496 1.00 0.57 H new ATOM 0 HA GLU A 18 19.167 -19.594 16.329 1.00 0.66 H new ATOM 0 HB2 GLU A 18 21.664 -19.902 15.420 1.00 0.59 H new ATOM 0 HB3 GLU A 18 21.410 -18.286 14.792 1.00 0.59 H new ATOM 0 HG2 GLU A 18 22.285 -17.952 17.006 1.00 0.51 H new ATOM 0 HG3 GLU A 18 20.568 -17.633 17.150 1.00 0.51 H new ATOM 308 N THR A 19 18.247 -17.241 15.733 1.00 0.79 N ATOM 309 CA THR A 19 17.427 -16.072 15.243 1.00 0.82 C ATOM 310 C THR A 19 17.737 -14.751 15.981 1.00 0.75 C ATOM 311 O THR A 19 18.104 -14.744 17.140 1.00 0.72 O ATOM 312 CB THR A 19 15.935 -16.382 15.452 1.00 1.08 C ATOM 313 OG1 THR A 19 15.585 -16.096 16.801 1.00 1.13 O ATOM 314 CG2 THR A 19 15.635 -17.859 15.154 1.00 1.33 C ATOM 0 H THR A 19 18.331 -17.324 16.746 1.00 0.79 H new ATOM 0 HA THR A 19 17.680 -15.937 14.192 1.00 0.82 H new ATOM 0 HB THR A 19 15.351 -15.765 14.769 1.00 1.08 H new ATOM 0 HG1 THR A 19 14.635 -16.290 16.941 1.00 1.13 H new ATOM 0 HG21 THR A 19 14.574 -18.053 15.309 1.00 1.33 H new ATOM 0 HG22 THR A 19 15.897 -18.082 14.120 1.00 1.33 H new ATOM 0 HG23 THR A 19 16.221 -18.491 15.821 1.00 1.33 H new ATOM 322 N TYR A 20 17.489 -13.626 15.333 1.00 0.72 N ATOM 323 CA TYR A 20 17.651 -12.295 16.011 1.00 0.65 C ATOM 324 C TYR A 20 16.569 -11.346 15.546 1.00 0.64 C ATOM 325 O TYR A 20 15.974 -11.504 14.497 1.00 0.70 O ATOM 326 CB TYR A 20 19.065 -11.676 15.893 1.00 0.71 C ATOM 327 CG TYR A 20 19.481 -11.198 14.508 1.00 0.72 C ATOM 328 CD1 TYR A 20 18.611 -10.514 13.646 1.00 0.74 C ATOM 329 CD2 TYR A 20 20.803 -11.435 14.106 1.00 0.73 C ATOM 330 CE1 TYR A 20 19.070 -10.080 12.384 1.00 0.76 C ATOM 331 CE2 TYR A 20 21.260 -11.004 12.856 1.00 0.77 C ATOM 332 CZ TYR A 20 20.390 -10.326 11.992 1.00 0.78 C ATOM 333 OH TYR A 20 20.831 -9.902 10.757 1.00 0.82 O ATOM 0 H TYR A 20 17.181 -13.577 14.362 1.00 0.72 H new ATOM 0 HA TYR A 20 17.536 -12.476 17.080 1.00 0.65 H new ATOM 0 HB2 TYR A 20 19.126 -10.831 16.579 1.00 0.71 H new ATOM 0 HB3 TYR A 20 19.791 -12.415 16.232 1.00 0.71 H new ATOM 0 HD1 TYR A 20 17.592 -10.320 13.947 1.00 0.74 H new ATOM 0 HD2 TYR A 20 21.477 -11.957 14.769 1.00 0.73 H new ATOM 0 HE1 TYR A 20 18.400 -9.556 11.719 1.00 0.76 H new ATOM 0 HE2 TYR A 20 22.281 -11.193 12.558 1.00 0.77 H new ATOM 0 HH TYR A 20 21.330 -10.625 10.322 1.00 0.82 H new ATOM 343 N GLU A 21 16.276 -10.395 16.365 1.00 0.57 N ATOM 344 CA GLU A 21 15.195 -9.434 16.067 1.00 0.58 C ATOM 345 C GLU A 21 15.781 -8.038 15.848 1.00 0.57 C ATOM 346 O GLU A 21 16.541 -7.543 16.654 1.00 0.88 O ATOM 347 CB GLU A 21 14.286 -9.448 17.283 1.00 0.52 C ATOM 348 CG GLU A 21 12.882 -9.895 16.874 1.00 0.77 C ATOM 349 CD GLU A 21 12.286 -10.774 17.976 1.00 1.13 C ATOM 350 OE1 GLU A 21 11.742 -10.222 18.919 1.00 1.20 O ATOM 351 OE2 GLU A 21 12.387 -11.984 17.860 1.00 1.38 O ATOM 0 H GLU A 21 16.752 -10.237 17.253 1.00 0.57 H new ATOM 0 HA GLU A 21 14.651 -9.700 15.161 1.00 0.58 H new ATOM 0 HB2 GLU A 21 14.686 -10.122 18.040 1.00 0.52 H new ATOM 0 HB3 GLU A 21 14.246 -8.455 17.730 1.00 0.52 H new ATOM 0 HG2 GLU A 21 12.247 -9.026 16.704 1.00 0.77 H new ATOM 0 HG3 GLU A 21 12.924 -10.448 15.935 1.00 0.77 H new ATOM 358 N ALA A 22 15.440 -7.401 14.758 1.00 0.35 N ATOM 359 CA ALA A 22 15.997 -6.045 14.494 1.00 0.36 C ATOM 360 C ALA A 22 14.877 -5.006 14.412 1.00 0.35 C ATOM 361 O ALA A 22 13.732 -5.319 14.151 1.00 0.34 O ATOM 362 CB ALA A 22 16.759 -6.056 13.165 1.00 0.50 C ATOM 0 H ALA A 22 14.805 -7.759 14.045 1.00 0.35 H new ATOM 0 HA ALA A 22 16.667 -5.783 15.313 1.00 0.36 H new ATOM 0 HB1 ALA A 22 17.167 -5.064 12.971 1.00 0.50 H new ATOM 0 HB2 ALA A 22 17.573 -6.779 13.218 1.00 0.50 H new ATOM 0 HB3 ALA A 22 16.080 -6.333 12.359 1.00 0.50 H new ATOM 368 N GLY A 23 15.227 -3.765 14.598 1.00 0.39 N ATOM 369 CA GLY A 23 14.235 -2.660 14.502 1.00 0.47 C ATOM 370 C GLY A 23 14.743 -1.732 13.412 1.00 0.46 C ATOM 371 O GLY A 23 15.675 -0.979 13.615 1.00 0.44 O ATOM 0 H GLY A 23 16.177 -3.465 14.817 1.00 0.39 H new ATOM 0 HA2 GLY A 23 13.245 -3.045 14.256 1.00 0.47 H new ATOM 0 HA3 GLY A 23 14.145 -2.133 15.452 1.00 0.47 H new ATOM 375 N ILE A 24 14.201 -1.826 12.234 1.00 0.48 N ATOM 376 CA ILE A 24 14.744 -0.989 11.125 1.00 0.48 C ATOM 377 C ILE A 24 13.894 0.256 10.920 1.00 0.45 C ATOM 378 O ILE A 24 12.688 0.202 10.842 1.00 0.73 O ATOM 379 CB ILE A 24 14.774 -1.808 9.831 1.00 0.49 C ATOM 380 CG1 ILE A 24 15.871 -2.868 9.902 1.00 0.44 C ATOM 381 CG2 ILE A 24 15.077 -0.880 8.662 1.00 0.51 C ATOM 382 CD1 ILE A 24 16.133 -3.212 11.357 1.00 0.42 C ATOM 0 H ILE A 24 13.419 -2.434 11.989 1.00 0.48 H new ATOM 0 HA ILE A 24 15.755 -0.678 11.389 1.00 0.48 H new ATOM 0 HB ILE A 24 13.807 -2.293 9.698 1.00 0.49 H new ATOM 0 HG12 ILE A 24 15.569 -3.760 9.353 1.00 0.44 H new ATOM 0 HG13 ILE A 24 16.783 -2.498 9.433 1.00 0.44 H new ATOM 0 HG21 ILE A 24 15.100 -1.456 7.737 1.00 0.51 H new ATOM 0 HG22 ILE A 24 14.303 -0.115 8.594 1.00 0.51 H new ATOM 0 HG23 ILE A 24 16.045 -0.404 8.817 1.00 0.51 H new ATOM 0 HD11 ILE A 24 16.915 -3.969 11.417 1.00 0.42 H new ATOM 0 HD12 ILE A 24 16.452 -2.317 11.891 1.00 0.42 H new ATOM 0 HD13 ILE A 24 15.220 -3.598 11.810 1.00 0.42 H new ATOM 394 N ALA A 25 14.529 1.383 10.817 1.00 0.25 N ATOM 395 CA ALA A 25 13.752 2.641 10.585 1.00 0.23 C ATOM 396 C ALA A 25 13.888 3.068 9.133 1.00 0.31 C ATOM 397 O ALA A 25 14.732 2.602 8.395 1.00 0.40 O ATOM 398 CB ALA A 25 14.198 3.776 11.477 1.00 0.24 C ATOM 0 H ALA A 25 15.541 1.496 10.881 1.00 0.25 H new ATOM 0 HA ALA A 25 12.712 2.420 10.827 1.00 0.23 H new ATOM 0 HB1 ALA A 25 13.600 4.662 11.265 1.00 0.24 H new ATOM 0 HB2 ALA A 25 14.067 3.491 12.521 1.00 0.24 H new ATOM 0 HB3 ALA A 25 15.249 3.994 11.290 1.00 0.24 H new ATOM 404 N LEU A 26 13.005 3.917 8.727 1.00 0.31 N ATOM 405 CA LEU A 26 12.957 4.385 7.330 1.00 0.40 C ATOM 406 C LEU A 26 13.116 5.897 7.259 1.00 0.55 C ATOM 407 O LEU A 26 12.793 6.608 8.190 1.00 0.64 O ATOM 408 CB LEU A 26 11.606 3.987 6.739 1.00 0.31 C ATOM 409 CG LEU A 26 10.588 3.757 7.875 1.00 0.28 C ATOM 410 CD1 LEU A 26 9.238 3.478 7.253 1.00 0.30 C ATOM 411 CD2 LEU A 26 10.974 2.556 8.768 1.00 0.19 C ATOM 0 H LEU A 26 12.288 4.321 9.329 1.00 0.31 H new ATOM 0 HA LEU A 26 13.774 3.931 6.768 1.00 0.40 H new ATOM 0 HB2 LEU A 26 11.247 4.768 6.069 1.00 0.31 H new ATOM 0 HB3 LEU A 26 11.712 3.080 6.144 1.00 0.31 H new ATOM 0 HG LEU A 26 10.569 4.649 8.501 1.00 0.28 H new ATOM 0 HD11 LEU A 26 8.502 3.312 8.040 1.00 0.30 H new ATOM 0 HD12 LEU A 26 8.934 4.331 6.646 1.00 0.30 H new ATOM 0 HD13 LEU A 26 9.304 2.590 6.624 1.00 0.30 H new ATOM 0 HD21 LEU A 26 10.229 2.432 9.554 1.00 0.19 H new ATOM 0 HD22 LEU A 26 11.016 1.651 8.162 1.00 0.19 H new ATOM 0 HD23 LEU A 26 11.950 2.737 9.219 1.00 0.19 H new ATOM 423 N LYS A 27 13.545 6.403 6.144 1.00 0.60 N ATOM 424 CA LYS A 27 13.638 7.874 6.015 1.00 0.74 C ATOM 425 C LYS A 27 12.206 8.359 5.764 1.00 0.72 C ATOM 426 O LYS A 27 11.275 7.581 5.833 1.00 0.62 O ATOM 427 CB LYS A 27 14.535 8.249 4.833 1.00 0.77 C ATOM 428 CG LYS A 27 15.979 7.845 5.137 1.00 2.47 C ATOM 429 CD LYS A 27 16.551 8.767 6.215 1.00 2.59 C ATOM 430 CE LYS A 27 18.076 8.650 6.228 1.00 2.98 C ATOM 431 NZ LYS A 27 18.465 7.211 6.273 1.00 3.11 N ATOM 0 H LYS A 27 13.832 5.868 5.325 1.00 0.60 H new ATOM 0 HA LYS A 27 14.070 8.329 6.907 1.00 0.74 H new ATOM 0 HB2 LYS A 27 14.190 7.749 3.928 1.00 0.77 H new ATOM 0 HB3 LYS A 27 14.478 9.321 4.646 1.00 0.77 H new ATOM 0 HG2 LYS A 27 16.015 6.809 5.473 1.00 2.47 H new ATOM 0 HG3 LYS A 27 16.583 7.907 4.232 1.00 2.47 H new ATOM 0 HD2 LYS A 27 16.256 9.798 6.021 1.00 2.59 H new ATOM 0 HD3 LYS A 27 16.146 8.498 7.191 1.00 2.59 H new ATOM 0 HE2 LYS A 27 18.495 9.123 5.340 1.00 2.98 H new ATOM 0 HE3 LYS A 27 18.484 9.175 7.092 1.00 2.98 H new ATOM 0 HZ1 LYS A 27 19.364 7.110 6.787 1.00 3.11 H new ATOM 0 HZ2 LYS A 27 17.725 6.666 6.760 1.00 3.11 H new ATOM 0 HZ3 LYS A 27 18.578 6.852 5.304 1.00 3.11 H new ATOM 445 N GLY A 28 11.990 9.616 5.529 1.00 0.84 N ATOM 446 CA GLY A 28 10.583 10.082 5.351 1.00 0.88 C ATOM 447 C GLY A 28 9.934 9.519 4.088 1.00 0.77 C ATOM 448 O GLY A 28 8.815 9.046 4.120 1.00 0.77 O ATOM 0 H GLY A 28 12.709 10.335 5.452 1.00 0.84 H new ATOM 0 HA2 GLY A 28 9.994 9.788 6.220 1.00 0.88 H new ATOM 0 HA3 GLY A 28 10.567 11.171 5.309 1.00 0.88 H new ATOM 452 N THR A 29 10.608 9.552 2.988 1.00 0.68 N ATOM 453 CA THR A 29 10.018 9.007 1.743 1.00 0.60 C ATOM 454 C THR A 29 10.360 7.546 1.641 1.00 0.51 C ATOM 455 O THR A 29 9.876 6.845 0.773 1.00 0.51 O ATOM 456 CB THR A 29 10.544 9.710 0.504 1.00 0.57 C ATOM 457 OG1 THR A 29 11.958 9.563 0.439 1.00 0.50 O ATOM 458 CG2 THR A 29 10.172 11.193 0.545 1.00 0.70 C ATOM 0 H THR A 29 11.549 9.935 2.892 1.00 0.68 H new ATOM 0 HA THR A 29 8.940 9.163 1.791 1.00 0.60 H new ATOM 0 HB THR A 29 10.095 9.262 -0.382 1.00 0.57 H new ATOM 0 HG1 THR A 29 12.297 10.015 -0.361 1.00 0.50 H new ATOM 0 HG21 THR A 29 10.554 11.689 -0.348 1.00 0.70 H new ATOM 0 HG22 THR A 29 9.087 11.295 0.581 1.00 0.70 H new ATOM 0 HG23 THR A 29 10.610 11.654 1.431 1.00 0.70 H new ATOM 466 N GLU A 30 11.205 7.064 2.497 1.00 0.49 N ATOM 467 CA GLU A 30 11.560 5.650 2.385 1.00 0.48 C ATOM 468 C GLU A 30 10.275 4.889 2.425 1.00 0.50 C ATOM 469 O GLU A 30 10.132 3.877 1.823 1.00 0.58 O ATOM 470 CB GLU A 30 12.447 5.239 3.551 1.00 0.45 C ATOM 471 CG GLU A 30 13.913 5.308 3.116 1.00 0.50 C ATOM 472 CD GLU A 30 14.141 4.359 1.942 1.00 1.92 C ATOM 473 OE1 GLU A 30 14.460 3.209 2.191 1.00 2.86 O ATOM 474 OE2 GLU A 30 13.997 4.799 0.814 1.00 2.72 O ATOM 0 H GLU A 30 11.653 7.583 3.252 1.00 0.49 H new ATOM 0 HA GLU A 30 12.110 5.452 1.465 1.00 0.48 H new ATOM 0 HB2 GLU A 30 12.277 5.897 4.403 1.00 0.45 H new ATOM 0 HB3 GLU A 30 12.198 4.228 3.874 1.00 0.45 H new ATOM 0 HG2 GLU A 30 14.171 6.327 2.829 1.00 0.50 H new ATOM 0 HG3 GLU A 30 14.563 5.037 3.948 1.00 0.50 H new ATOM 481 N VAL A 31 9.334 5.364 3.142 1.00 0.50 N ATOM 482 CA VAL A 31 8.067 4.603 3.226 1.00 0.49 C ATOM 483 C VAL A 31 7.378 4.351 1.879 1.00 0.42 C ATOM 484 O VAL A 31 6.745 3.329 1.732 1.00 0.37 O ATOM 485 CB VAL A 31 7.128 5.268 4.198 1.00 0.61 C ATOM 486 CG1 VAL A 31 5.682 5.014 3.774 1.00 0.67 C ATOM 487 CG2 VAL A 31 7.396 4.626 5.549 1.00 0.58 C ATOM 0 H VAL A 31 9.371 6.234 3.673 1.00 0.50 H new ATOM 0 HA VAL A 31 8.339 3.612 3.589 1.00 0.49 H new ATOM 0 HB VAL A 31 7.281 6.347 4.233 1.00 0.61 H new ATOM 0 HG11 VAL A 31 5.006 5.497 4.480 1.00 0.67 H new ATOM 0 HG12 VAL A 31 5.518 5.423 2.777 1.00 0.67 H new ATOM 0 HG13 VAL A 31 5.489 3.941 3.763 1.00 0.67 H new ATOM 0 HG21 VAL A 31 6.741 5.070 6.299 1.00 0.58 H new ATOM 0 HG22 VAL A 31 7.204 3.555 5.487 1.00 0.58 H new ATOM 0 HG23 VAL A 31 8.436 4.792 5.831 1.00 0.58 H new ATOM 497 N LYS A 32 7.425 5.204 0.885 1.00 0.41 N ATOM 498 CA LYS A 32 6.678 4.781 -0.344 1.00 0.27 C ATOM 499 C LYS A 32 7.387 3.603 -1.001 1.00 0.11 C ATOM 500 O LYS A 32 6.794 2.598 -1.258 1.00 0.15 O ATOM 501 CB LYS A 32 6.586 5.889 -1.380 1.00 0.31 C ATOM 502 CG LYS A 32 5.560 6.933 -0.939 1.00 0.41 C ATOM 503 CD LYS A 32 6.236 8.302 -0.861 1.00 0.42 C ATOM 504 CE LYS A 32 6.893 8.463 0.510 1.00 1.05 C ATOM 505 NZ LYS A 32 6.602 9.822 1.048 1.00 1.96 N ATOM 0 H LYS A 32 7.905 6.104 0.861 1.00 0.41 H new ATOM 0 HA LYS A 32 5.672 4.516 -0.018 1.00 0.27 H new ATOM 0 HB2 LYS A 32 7.561 6.358 -1.511 1.00 0.31 H new ATOM 0 HB3 LYS A 32 6.301 5.472 -2.346 1.00 0.31 H new ATOM 0 HG2 LYS A 32 4.729 6.964 -1.644 1.00 0.41 H new ATOM 0 HG3 LYS A 32 5.144 6.664 0.032 1.00 0.41 H new ATOM 0 HD2 LYS A 32 6.983 8.397 -1.649 1.00 0.42 H new ATOM 0 HD3 LYS A 32 5.503 9.092 -1.021 1.00 0.42 H new ATOM 0 HE2 LYS A 32 6.519 7.702 1.195 1.00 1.05 H new ATOM 0 HE3 LYS A 32 7.970 8.316 0.428 1.00 1.05 H new ATOM 0 HZ1 LYS A 32 6.962 9.895 2.021 1.00 1.96 H new ATOM 0 HZ2 LYS A 32 7.066 10.538 0.453 1.00 1.96 H new ATOM 0 HZ3 LYS A 32 5.575 9.983 1.046 1.00 1.96 H new ATOM 519 N SER A 33 8.656 3.731 -1.258 1.00 0.30 N ATOM 520 CA SER A 33 9.434 2.625 -1.895 1.00 0.39 C ATOM 521 C SER A 33 9.668 1.504 -0.892 1.00 0.21 C ATOM 522 O SER A 33 9.701 0.343 -1.228 1.00 0.26 O ATOM 523 CB SER A 33 10.781 3.159 -2.377 1.00 0.69 C ATOM 524 OG SER A 33 10.664 3.562 -3.734 1.00 1.52 O ATOM 0 H SER A 33 9.200 4.569 -1.051 1.00 0.30 H new ATOM 0 HA SER A 33 8.867 2.237 -2.741 1.00 0.39 H new ATOM 0 HB2 SER A 33 11.094 4.002 -1.760 1.00 0.69 H new ATOM 0 HB3 SER A 33 11.547 2.390 -2.278 1.00 0.69 H new ATOM 0 HG SER A 33 11.526 3.907 -4.048 1.00 1.52 H new ATOM 530 N LEU A 34 9.863 1.862 0.333 1.00 0.26 N ATOM 531 CA LEU A 34 10.128 0.844 1.381 1.00 0.30 C ATOM 532 C LEU A 34 8.880 0.003 1.534 1.00 0.29 C ATOM 533 O LEU A 34 8.928 -1.193 1.438 1.00 0.35 O ATOM 534 CB LEU A 34 10.502 1.516 2.717 1.00 0.46 C ATOM 535 CG LEU A 34 11.611 0.703 3.366 1.00 0.53 C ATOM 536 CD1 LEU A 34 11.228 -0.777 3.363 1.00 0.59 C ATOM 537 CD2 LEU A 34 12.904 0.898 2.570 1.00 0.53 C ATOM 0 H LEU A 34 9.851 2.827 0.663 1.00 0.26 H new ATOM 0 HA LEU A 34 10.971 0.217 1.091 1.00 0.30 H new ATOM 0 HB2 LEU A 34 10.832 2.541 2.547 1.00 0.46 H new ATOM 0 HB3 LEU A 34 9.633 1.565 3.374 1.00 0.46 H new ATOM 0 HG LEU A 34 11.758 1.035 4.394 1.00 0.53 H new ATOM 0 HD11 LEU A 34 12.023 -1.360 3.828 1.00 0.59 H new ATOM 0 HD12 LEU A 34 10.303 -0.914 3.922 1.00 0.59 H new ATOM 0 HD13 LEU A 34 11.085 -1.114 2.336 1.00 0.59 H new ATOM 0 HD21 LEU A 34 13.705 0.318 3.029 1.00 0.53 H new ATOM 0 HD22 LEU A 34 12.754 0.561 1.544 1.00 0.53 H new ATOM 0 HD23 LEU A 34 13.175 1.954 2.569 1.00 0.53 H new ATOM 549 N ARG A 35 7.758 0.624 1.724 1.00 0.27 N ATOM 550 CA ARG A 35 6.489 -0.143 1.826 1.00 0.25 C ATOM 551 C ARG A 35 6.090 -0.593 0.420 1.00 0.16 C ATOM 552 O ARG A 35 5.350 -1.540 0.239 1.00 0.19 O ATOM 553 CB ARG A 35 5.391 0.740 2.415 1.00 0.24 C ATOM 554 CG ARG A 35 4.733 0.005 3.581 1.00 1.09 C ATOM 555 CD ARG A 35 4.462 0.989 4.717 1.00 2.29 C ATOM 556 NE ARG A 35 3.188 1.718 4.454 1.00 2.74 N ATOM 557 CZ ARG A 35 2.143 1.074 4.009 1.00 2.04 C ATOM 558 NH1 ARG A 35 1.952 0.945 2.724 1.00 2.21 N ATOM 559 NH2 ARG A 35 1.284 0.559 4.847 1.00 1.68 N ATOM 0 H ARG A 35 7.661 1.635 1.814 1.00 0.27 H new ATOM 0 HA ARG A 35 6.625 -1.007 2.477 1.00 0.25 H new ATOM 0 HB2 ARG A 35 5.811 1.686 2.756 1.00 0.24 H new ATOM 0 HB3 ARG A 35 4.649 0.977 1.653 1.00 0.24 H new ATOM 0 HG2 ARG A 35 3.801 -0.455 3.255 1.00 1.09 H new ATOM 0 HG3 ARG A 35 5.381 -0.799 3.929 1.00 1.09 H new ATOM 0 HD2 ARG A 35 4.399 0.456 5.666 1.00 2.29 H new ATOM 0 HD3 ARG A 35 5.287 1.697 4.803 1.00 2.29 H new ATOM 0 HE ARG A 35 3.133 2.723 4.622 1.00 2.74 H new ATOM 0 HH11 ARG A 35 2.620 1.348 2.066 1.00 2.21 H new ATOM 0 HH12 ARG A 35 1.135 0.442 2.378 1.00 2.21 H new ATOM 0 HH21 ARG A 35 1.429 0.659 5.852 1.00 1.68 H new ATOM 0 HH22 ARG A 35 0.468 0.056 4.497 1.00 1.68 H new ATOM 573 N ALA A 36 6.583 0.095 -0.577 1.00 0.09 N ATOM 574 CA ALA A 36 6.252 -0.267 -1.995 1.00 0.03 C ATOM 575 C ALA A 36 7.499 -0.875 -2.631 1.00 0.12 C ATOM 576 O ALA A 36 7.724 -0.751 -3.820 1.00 0.12 O ATOM 577 CB ALA A 36 5.831 0.988 -2.788 1.00 0.08 C ATOM 0 H ALA A 36 7.204 0.897 -0.473 1.00 0.09 H new ATOM 0 HA ALA A 36 5.425 -0.977 -2.011 1.00 0.03 H new ATOM 0 HB1 ALA A 36 5.594 0.707 -3.814 1.00 0.08 H new ATOM 0 HB2 ALA A 36 4.953 1.435 -2.322 1.00 0.08 H new ATOM 0 HB3 ALA A 36 6.648 1.709 -2.788 1.00 0.08 H new ATOM 583 N GLY A 37 8.355 -1.465 -1.838 1.00 0.20 N ATOM 584 CA GLY A 37 9.630 -1.992 -2.401 1.00 0.28 C ATOM 585 C GLY A 37 9.684 -3.509 -2.445 1.00 0.27 C ATOM 586 O GLY A 37 9.042 -4.204 -1.689 1.00 0.24 O ATOM 0 H GLY A 37 8.227 -1.603 -0.835 1.00 0.20 H new ATOM 0 HA2 GLY A 37 9.763 -1.601 -3.410 1.00 0.28 H new ATOM 0 HA3 GLY A 37 10.463 -1.623 -1.803 1.00 0.28 H new ATOM 590 N LYS A 38 10.509 -4.007 -3.318 1.00 0.33 N ATOM 591 CA LYS A 38 10.715 -5.467 -3.428 1.00 0.39 C ATOM 592 C LYS A 38 12.202 -5.723 -3.186 1.00 0.39 C ATOM 593 O LYS A 38 13.043 -5.277 -3.938 1.00 0.40 O ATOM 594 CB LYS A 38 10.324 -5.954 -4.824 1.00 0.52 C ATOM 595 CG LYS A 38 9.413 -7.176 -4.693 1.00 0.66 C ATOM 596 CD LYS A 38 7.972 -6.771 -5.004 1.00 0.96 C ATOM 597 CE LYS A 38 7.075 -8.010 -4.979 1.00 1.63 C ATOM 598 NZ LYS A 38 6.292 -8.030 -3.712 1.00 2.71 N ATOM 0 H LYS A 38 11.059 -3.449 -3.971 1.00 0.33 H new ATOM 0 HA LYS A 38 10.100 -6.001 -2.704 1.00 0.39 H new ATOM 0 HB2 LYS A 38 9.812 -5.161 -5.369 1.00 0.52 H new ATOM 0 HB3 LYS A 38 11.216 -6.210 -5.396 1.00 0.52 H new ATOM 0 HG2 LYS A 38 9.738 -7.960 -5.377 1.00 0.66 H new ATOM 0 HG3 LYS A 38 9.478 -7.585 -3.685 1.00 0.66 H new ATOM 0 HD2 LYS A 38 7.623 -6.042 -4.273 1.00 0.96 H new ATOM 0 HD3 LYS A 38 7.921 -6.292 -5.982 1.00 0.96 H new ATOM 0 HE2 LYS A 38 6.401 -8.002 -5.836 1.00 1.63 H new ATOM 0 HE3 LYS A 38 7.681 -8.913 -5.059 1.00 1.63 H new ATOM 0 HZ1 LYS A 38 5.682 -8.872 -3.694 1.00 2.71 H new ATOM 0 HZ2 LYS A 38 6.943 -8.057 -2.902 1.00 2.71 H new ATOM 0 HZ3 LYS A 38 5.703 -7.175 -3.654 1.00 2.71 H new ATOM 612 N VAL A 39 12.539 -6.428 -2.151 1.00 0.39 N ATOM 613 CA VAL A 39 13.979 -6.692 -1.878 1.00 0.38 C ATOM 614 C VAL A 39 14.211 -8.175 -2.026 1.00 0.47 C ATOM 615 O VAL A 39 13.290 -8.962 -1.944 1.00 0.44 O ATOM 616 CB VAL A 39 14.330 -6.277 -0.446 1.00 0.34 C ATOM 617 CG1 VAL A 39 13.823 -7.342 0.530 1.00 0.51 C ATOM 618 CG2 VAL A 39 15.846 -6.141 -0.287 1.00 0.39 C ATOM 0 H VAL A 39 11.885 -6.834 -1.481 1.00 0.39 H new ATOM 0 HA VAL A 39 14.599 -6.124 -2.572 1.00 0.38 H new ATOM 0 HB VAL A 39 13.859 -5.317 -0.234 1.00 0.34 H new ATOM 0 HG11 VAL A 39 14.072 -7.049 1.550 1.00 0.51 H new ATOM 0 HG12 VAL A 39 12.742 -7.438 0.434 1.00 0.51 H new ATOM 0 HG13 VAL A 39 14.294 -8.298 0.302 1.00 0.51 H new ATOM 0 HG21 VAL A 39 16.080 -5.846 0.736 1.00 0.39 H new ATOM 0 HG22 VAL A 39 16.322 -7.097 -0.506 1.00 0.39 H new ATOM 0 HG23 VAL A 39 16.218 -5.384 -0.977 1.00 0.39 H new ATOM 628 N ASP A 40 15.414 -8.583 -2.251 1.00 0.52 N ATOM 629 CA ASP A 40 15.624 -10.039 -2.403 1.00 0.55 C ATOM 630 C ASP A 40 15.814 -10.677 -1.026 1.00 0.55 C ATOM 631 O ASP A 40 16.857 -10.549 -0.416 1.00 0.59 O ATOM 632 CB ASP A 40 16.874 -10.282 -3.252 1.00 0.59 C ATOM 633 CG ASP A 40 16.717 -11.590 -4.029 1.00 0.86 C ATOM 634 OD1 ASP A 40 15.805 -11.670 -4.836 1.00 0.55 O ATOM 635 OD2 ASP A 40 17.510 -12.489 -3.804 1.00 1.67 O ATOM 0 H ASP A 40 16.243 -7.994 -2.335 1.00 0.52 H new ATOM 0 HA ASP A 40 14.756 -10.483 -2.890 1.00 0.55 H new ATOM 0 HB2 ASP A 40 17.024 -9.452 -3.943 1.00 0.59 H new ATOM 0 HB3 ASP A 40 17.756 -10.329 -2.614 1.00 0.59 H new ATOM 640 N PHE A 41 14.836 -11.417 -0.548 1.00 0.49 N ATOM 641 CA PHE A 41 15.025 -12.103 0.758 1.00 0.50 C ATOM 642 C PHE A 41 15.426 -13.525 0.399 1.00 0.36 C ATOM 643 O PHE A 41 14.645 -14.274 -0.149 1.00 0.29 O ATOM 644 CB PHE A 41 13.733 -12.083 1.616 1.00 0.60 C ATOM 645 CG PHE A 41 13.801 -10.933 2.616 1.00 0.77 C ATOM 646 CD1 PHE A 41 15.024 -10.595 3.209 1.00 1.84 C ATOM 647 CD2 PHE A 41 12.653 -10.170 2.920 1.00 0.50 C ATOM 648 CE1 PHE A 41 15.105 -9.507 4.085 1.00 1.94 C ATOM 649 CE2 PHE A 41 12.741 -9.093 3.805 1.00 0.51 C ATOM 650 CZ PHE A 41 13.965 -8.755 4.381 1.00 1.00 C ATOM 0 H PHE A 41 13.935 -11.569 -1.001 1.00 0.49 H new ATOM 0 HA PHE A 41 15.779 -11.603 1.366 1.00 0.50 H new ATOM 0 HB2 PHE A 41 12.860 -11.969 0.974 1.00 0.60 H new ATOM 0 HB3 PHE A 41 13.620 -13.030 2.143 1.00 0.60 H new ATOM 0 HD1 PHE A 41 15.907 -11.176 2.989 1.00 1.84 H new ATOM 0 HD2 PHE A 41 11.705 -10.419 2.467 1.00 0.50 H new ATOM 0 HE1 PHE A 41 16.052 -9.247 4.534 1.00 1.94 H new ATOM 0 HE2 PHE A 41 11.857 -8.520 4.044 1.00 0.51 H new ATOM 0 HZ PHE A 41 14.032 -7.914 5.055 1.00 1.00 H new ATOM 660 N THR A 42 16.669 -13.840 0.663 1.00 0.32 N ATOM 661 CA THR A 42 17.286 -15.157 0.324 1.00 0.26 C ATOM 662 C THR A 42 18.581 -14.853 -0.427 1.00 0.20 C ATOM 663 O THR A 42 18.712 -13.793 -1.007 1.00 0.24 O ATOM 664 CB THR A 42 16.379 -15.992 -0.559 1.00 0.30 C ATOM 665 OG1 THR A 42 16.964 -17.271 -0.763 1.00 0.33 O ATOM 666 CG2 THR A 42 16.213 -15.283 -1.890 1.00 0.26 C ATOM 0 H THR A 42 17.314 -13.199 1.126 1.00 0.32 H new ATOM 0 HA THR A 42 17.462 -15.728 1.236 1.00 0.26 H new ATOM 0 HB THR A 42 15.406 -16.120 -0.085 1.00 0.30 H new ATOM 0 HG1 THR A 42 16.378 -17.812 -1.332 1.00 0.33 H new ATOM 0 HG21 THR A 42 15.563 -15.872 -2.537 1.00 0.26 H new ATOM 0 HG22 THR A 42 15.770 -14.301 -1.726 1.00 0.26 H new ATOM 0 HG23 THR A 42 17.187 -15.167 -2.364 1.00 0.26 H new ATOM 674 N GLY A 43 19.556 -15.732 -0.402 1.00 0.43 N ATOM 675 CA GLY A 43 20.836 -15.394 -1.091 1.00 0.63 C ATOM 676 C GLY A 43 21.182 -13.985 -0.632 1.00 0.59 C ATOM 677 O GLY A 43 21.738 -13.179 -1.352 1.00 0.78 O ATOM 0 H GLY A 43 19.522 -16.644 0.053 1.00 0.43 H new ATOM 0 HA2 GLY A 43 21.624 -16.099 -0.824 1.00 0.63 H new ATOM 0 HA3 GLY A 43 20.723 -15.438 -2.174 1.00 0.63 H new ATOM 681 N SER A 44 20.779 -13.693 0.575 1.00 0.39 N ATOM 682 CA SER A 44 20.972 -12.347 1.165 1.00 0.33 C ATOM 683 C SER A 44 21.939 -12.430 2.344 1.00 0.34 C ATOM 684 O SER A 44 22.233 -13.503 2.833 1.00 0.35 O ATOM 685 CB SER A 44 19.608 -11.898 1.677 1.00 0.15 C ATOM 686 OG SER A 44 19.721 -11.529 3.042 1.00 0.17 O ATOM 0 H SER A 44 20.310 -14.356 1.191 1.00 0.39 H new ATOM 0 HA SER A 44 21.378 -11.654 0.428 1.00 0.33 H new ATOM 0 HB2 SER A 44 19.245 -11.055 1.089 1.00 0.15 H new ATOM 0 HB3 SER A 44 18.881 -12.702 1.564 1.00 0.15 H new ATOM 0 HG SER A 44 19.905 -12.326 3.582 1.00 0.17 H new ATOM 692 N PHE A 45 22.425 -11.315 2.830 1.00 0.37 N ATOM 693 CA PHE A 45 23.344 -11.385 3.988 1.00 0.38 C ATOM 694 C PHE A 45 23.162 -10.161 4.867 1.00 0.38 C ATOM 695 O PHE A 45 22.810 -9.091 4.419 1.00 0.40 O ATOM 696 CB PHE A 45 24.801 -11.430 3.525 1.00 0.48 C ATOM 697 CG PHE A 45 25.088 -12.752 2.862 1.00 0.47 C ATOM 698 CD1 PHE A 45 24.559 -13.029 1.602 1.00 0.38 C ATOM 699 CD2 PHE A 45 25.891 -13.697 3.507 1.00 0.56 C ATOM 700 CE1 PHE A 45 24.825 -14.244 0.980 1.00 0.41 C ATOM 701 CE2 PHE A 45 26.159 -14.923 2.889 1.00 0.59 C ATOM 702 CZ PHE A 45 25.625 -15.199 1.621 1.00 0.52 C ATOM 0 H PHE A 45 22.225 -10.379 2.477 1.00 0.37 H new ATOM 0 HA PHE A 45 23.111 -12.292 4.545 1.00 0.38 H new ATOM 0 HB2 PHE A 45 24.996 -10.614 2.829 1.00 0.48 H new ATOM 0 HB3 PHE A 45 25.467 -11.288 4.376 1.00 0.48 H new ATOM 0 HD1 PHE A 45 23.939 -12.296 1.107 1.00 0.38 H new ATOM 0 HD2 PHE A 45 26.304 -13.481 4.481 1.00 0.56 H new ATOM 0 HE1 PHE A 45 24.415 -14.451 0.003 1.00 0.41 H new ATOM 0 HE2 PHE A 45 26.776 -15.656 3.387 1.00 0.59 H new ATOM 0 HZ PHE A 45 25.830 -16.144 1.141 1.00 0.52 H new ATOM 712 N ALA A 46 23.449 -10.324 6.111 1.00 0.36 N ATOM 713 CA ALA A 46 23.366 -9.211 7.074 1.00 0.39 C ATOM 714 C ALA A 46 24.691 -9.237 7.824 1.00 0.41 C ATOM 715 O ALA A 46 25.314 -10.275 7.935 1.00 0.36 O ATOM 716 CB ALA A 46 22.164 -9.366 8.014 1.00 0.36 C ATOM 0 H ALA A 46 23.748 -11.211 6.516 1.00 0.36 H new ATOM 0 HA ALA A 46 23.209 -8.253 6.578 1.00 0.39 H new ATOM 0 HB1 ALA A 46 22.136 -8.527 8.710 1.00 0.36 H new ATOM 0 HB2 ALA A 46 21.244 -9.384 7.429 1.00 0.36 H new ATOM 0 HB3 ALA A 46 22.257 -10.297 8.572 1.00 0.36 H new ATOM 722 N ARG A 47 25.182 -8.127 8.273 1.00 0.48 N ATOM 723 CA ARG A 47 26.517 -8.155 8.919 1.00 0.49 C ATOM 724 C ARG A 47 26.373 -7.947 10.419 1.00 0.45 C ATOM 725 O ARG A 47 25.458 -7.307 10.897 1.00 0.59 O ATOM 726 CB ARG A 47 27.369 -7.035 8.310 1.00 0.63 C ATOM 727 CG ARG A 47 28.516 -6.656 9.258 1.00 0.34 C ATOM 728 CD ARG A 47 29.595 -7.740 9.215 1.00 1.92 C ATOM 729 NE ARG A 47 30.316 -7.779 10.519 1.00 2.50 N ATOM 730 CZ ARG A 47 31.298 -6.949 10.749 1.00 2.68 C ATOM 731 NH1 ARG A 47 31.416 -5.859 10.040 1.00 2.71 N ATOM 732 NH2 ARG A 47 32.164 -7.209 11.691 1.00 2.97 N ATOM 0 H ARG A 47 24.729 -7.214 8.224 1.00 0.48 H new ATOM 0 HA ARG A 47 26.995 -9.120 8.752 1.00 0.49 H new ATOM 0 HB2 ARG A 47 27.774 -7.358 7.351 1.00 0.63 H new ATOM 0 HB3 ARG A 47 26.747 -6.162 8.115 1.00 0.63 H new ATOM 0 HG2 ARG A 47 28.940 -5.695 8.967 1.00 0.34 H new ATOM 0 HG3 ARG A 47 28.139 -6.543 10.275 1.00 0.34 H new ATOM 0 HD2 ARG A 47 29.142 -8.710 9.009 1.00 1.92 H new ATOM 0 HD3 ARG A 47 30.297 -7.537 8.406 1.00 1.92 H new ATOM 0 HE ARG A 47 30.042 -8.455 11.232 1.00 2.50 H new ATOM 0 HH11 ARG A 47 30.740 -5.654 9.304 1.00 2.71 H new ATOM 0 HH12 ARG A 47 32.184 -5.213 10.222 1.00 2.71 H new ATOM 0 HH21 ARG A 47 32.073 -8.060 12.246 1.00 2.97 H new ATOM 0 HH22 ARG A 47 32.931 -6.561 11.871 1.00 2.97 H new ATOM 746 N PHE A 48 27.272 -8.531 11.161 1.00 0.33 N ATOM 747 CA PHE A 48 27.214 -8.430 12.629 1.00 0.26 C ATOM 748 C PHE A 48 28.379 -7.607 13.144 1.00 0.38 C ATOM 749 O PHE A 48 29.506 -8.052 13.211 1.00 0.44 O ATOM 750 CB PHE A 48 27.294 -9.830 13.239 1.00 0.16 C ATOM 751 CG PHE A 48 28.637 -10.448 12.915 1.00 0.34 C ATOM 752 CD1 PHE A 48 28.867 -10.991 11.645 1.00 0.40 C ATOM 753 CD2 PHE A 48 29.647 -10.488 13.885 1.00 0.64 C ATOM 754 CE1 PHE A 48 30.105 -11.569 11.343 1.00 0.72 C ATOM 755 CE2 PHE A 48 30.886 -11.066 13.582 1.00 0.93 C ATOM 756 CZ PHE A 48 31.115 -11.608 12.311 1.00 0.96 C ATOM 0 H PHE A 48 28.052 -9.080 10.799 1.00 0.33 H new ATOM 0 HA PHE A 48 26.277 -7.949 12.910 1.00 0.26 H new ATOM 0 HB2 PHE A 48 27.158 -9.775 14.319 1.00 0.16 H new ATOM 0 HB3 PHE A 48 26.491 -10.455 12.848 1.00 0.16 H new ATOM 0 HD1 PHE A 48 28.088 -10.964 10.898 1.00 0.40 H new ATOM 0 HD2 PHE A 48 29.470 -10.073 14.866 1.00 0.64 H new ATOM 0 HE1 PHE A 48 30.281 -11.985 10.362 1.00 0.72 H new ATOM 0 HE2 PHE A 48 31.666 -11.094 14.329 1.00 0.93 H new ATOM 0 HZ PHE A 48 32.070 -12.056 12.078 1.00 0.96 H new ATOM 766 N GLU A 49 28.100 -6.425 13.546 1.00 0.52 N ATOM 767 CA GLU A 49 29.161 -5.566 14.114 1.00 0.64 C ATOM 768 C GLU A 49 28.944 -5.512 15.625 1.00 0.65 C ATOM 769 O GLU A 49 29.334 -4.573 16.290 1.00 0.66 O ATOM 770 CB GLU A 49 29.071 -4.160 13.522 1.00 0.74 C ATOM 771 CG GLU A 49 30.410 -3.448 13.712 1.00 0.84 C ATOM 772 CD GLU A 49 30.693 -2.562 12.498 1.00 1.24 C ATOM 773 OE1 GLU A 49 30.427 -3.005 11.392 1.00 1.05 O ATOM 774 OE2 GLU A 49 31.172 -1.457 12.693 1.00 1.75 O ATOM 0 H GLU A 49 27.173 -6.002 13.509 1.00 0.52 H new ATOM 0 HA GLU A 49 30.147 -5.968 13.880 1.00 0.64 H new ATOM 0 HB2 GLU A 49 28.821 -4.214 12.462 1.00 0.74 H new ATOM 0 HB3 GLU A 49 28.274 -3.598 14.009 1.00 0.74 H new ATOM 0 HG2 GLU A 49 30.387 -2.844 14.619 1.00 0.84 H new ATOM 0 HG3 GLU A 49 31.209 -4.179 13.836 1.00 0.84 H new ATOM 781 N ASP A 50 28.306 -6.520 16.171 1.00 0.64 N ATOM 782 CA ASP A 50 28.046 -6.528 17.635 1.00 0.64 C ATOM 783 C ASP A 50 27.473 -5.166 18.018 1.00 0.71 C ATOM 784 O ASP A 50 28.095 -4.388 18.716 1.00 0.79 O ATOM 785 CB ASP A 50 29.360 -6.768 18.381 1.00 0.73 C ATOM 786 CG ASP A 50 30.429 -7.226 17.387 1.00 1.38 C ATOM 787 OD1 ASP A 50 30.492 -8.415 17.121 1.00 1.39 O ATOM 788 OD2 ASP A 50 31.164 -6.380 16.905 1.00 2.40 O ATOM 0 H ASP A 50 27.957 -7.333 15.663 1.00 0.64 H new ATOM 0 HA ASP A 50 27.343 -7.319 17.898 1.00 0.64 H new ATOM 0 HB2 ASP A 50 29.680 -5.854 18.881 1.00 0.73 H new ATOM 0 HB3 ASP A 50 29.220 -7.522 19.155 1.00 0.73 H new ATOM 793 N GLY A 51 26.291 -4.872 17.555 1.00 0.77 N ATOM 794 CA GLY A 51 25.662 -3.560 17.872 1.00 0.87 C ATOM 795 C GLY A 51 25.078 -2.970 16.593 1.00 0.63 C ATOM 796 O GLY A 51 24.219 -2.111 16.628 1.00 0.59 O ATOM 0 H GLY A 51 25.730 -5.488 16.967 1.00 0.77 H new ATOM 0 HA2 GLY A 51 24.879 -3.688 18.620 1.00 0.87 H new ATOM 0 HA3 GLY A 51 26.401 -2.881 18.297 1.00 0.87 H new ATOM 800 N GLU A 52 25.533 -3.429 15.460 1.00 0.51 N ATOM 801 CA GLU A 52 24.995 -2.902 14.179 1.00 0.30 C ATOM 802 C GLU A 52 24.702 -4.065 13.228 1.00 0.29 C ATOM 803 O GLU A 52 25.550 -4.894 12.964 1.00 0.30 O ATOM 804 CB GLU A 52 26.015 -1.954 13.538 1.00 0.19 C ATOM 805 CG GLU A 52 26.167 -0.704 14.409 1.00 0.56 C ATOM 806 CD GLU A 52 27.621 -0.227 14.368 1.00 0.85 C ATOM 807 OE1 GLU A 52 28.329 -0.621 13.456 1.00 0.45 O ATOM 808 OE2 GLU A 52 28.001 0.523 15.252 1.00 1.54 O ATOM 0 H GLU A 52 26.253 -4.145 15.368 1.00 0.51 H new ATOM 0 HA GLU A 52 24.073 -2.355 14.375 1.00 0.30 H new ATOM 0 HB2 GLU A 52 26.977 -2.455 13.432 1.00 0.19 H new ATOM 0 HB3 GLU A 52 25.689 -1.675 12.536 1.00 0.19 H new ATOM 0 HG2 GLU A 52 25.504 0.084 14.051 1.00 0.56 H new ATOM 0 HG3 GLU A 52 25.874 -0.925 15.435 1.00 0.56 H new ATOM 815 N LEU A 53 23.518 -4.109 12.683 1.00 0.31 N ATOM 816 CA LEU A 53 23.170 -5.179 11.720 1.00 0.29 C ATOM 817 C LEU A 53 23.022 -4.501 10.375 1.00 0.31 C ATOM 818 O LEU A 53 22.037 -3.864 10.083 1.00 0.31 O ATOM 819 CB LEU A 53 21.858 -5.854 12.115 1.00 0.27 C ATOM 820 CG LEU A 53 21.610 -7.044 11.196 1.00 0.23 C ATOM 821 CD1 LEU A 53 22.475 -8.215 11.667 1.00 0.36 C ATOM 822 CD2 LEU A 53 20.129 -7.436 11.254 1.00 0.47 C ATOM 0 H LEU A 53 22.771 -3.439 12.869 1.00 0.31 H new ATOM 0 HA LEU A 53 23.937 -5.953 11.699 1.00 0.29 H new ATOM 0 HB2 LEU A 53 21.903 -6.184 13.153 1.00 0.27 H new ATOM 0 HB3 LEU A 53 21.034 -5.145 12.042 1.00 0.27 H new ATOM 0 HG LEU A 53 21.868 -6.784 10.169 1.00 0.23 H new ATOM 0 HD11 LEU A 53 22.308 -9.075 11.018 1.00 0.36 H new ATOM 0 HD12 LEU A 53 23.526 -7.930 11.628 1.00 0.36 H new ATOM 0 HD13 LEU A 53 22.208 -8.476 12.691 1.00 0.36 H new ATOM 0 HD21 LEU A 53 19.952 -8.287 10.597 1.00 0.47 H new ATOM 0 HD22 LEU A 53 19.864 -7.706 12.276 1.00 0.47 H new ATOM 0 HD23 LEU A 53 19.517 -6.594 10.930 1.00 0.47 H new ATOM 834 N TYR A 54 24.027 -4.584 9.587 1.00 0.32 N ATOM 835 CA TYR A 54 24.013 -3.880 8.281 1.00 0.33 C ATOM 836 C TYR A 54 23.402 -4.716 7.180 1.00 0.33 C ATOM 837 O TYR A 54 23.694 -5.883 7.035 1.00 0.31 O ATOM 838 CB TYR A 54 25.459 -3.602 7.876 1.00 0.35 C ATOM 839 CG TYR A 54 25.958 -2.414 8.655 1.00 0.47 C ATOM 840 CD1 TYR A 54 25.182 -1.257 8.700 1.00 0.90 C ATOM 841 CD2 TYR A 54 27.179 -2.469 9.338 1.00 0.73 C ATOM 842 CE1 TYR A 54 25.618 -0.146 9.424 1.00 1.03 C ATOM 843 CE2 TYR A 54 27.620 -1.356 10.066 1.00 0.90 C ATOM 844 CZ TYR A 54 26.838 -0.194 10.109 1.00 0.86 C ATOM 845 OH TYR A 54 27.270 0.905 10.825 1.00 1.07 O ATOM 0 H TYR A 54 24.876 -5.114 9.783 1.00 0.32 H new ATOM 0 HA TYR A 54 23.421 -2.973 8.403 1.00 0.33 H new ATOM 0 HB2 TYR A 54 26.082 -4.474 8.076 1.00 0.35 H new ATOM 0 HB3 TYR A 54 25.521 -3.405 6.806 1.00 0.35 H new ATOM 0 HD1 TYR A 54 24.240 -1.220 8.173 1.00 0.90 H new ATOM 0 HD2 TYR A 54 27.779 -3.366 9.304 1.00 0.73 H new ATOM 0 HE1 TYR A 54 25.015 0.749 9.456 1.00 1.03 H new ATOM 0 HE2 TYR A 54 28.562 -1.394 10.593 1.00 0.90 H new ATOM 0 HH TYR A 54 27.664 0.609 11.672 1.00 1.07 H new ATOM 855 N LEU A 55 22.628 -4.103 6.330 1.00 0.36 N ATOM 856 CA LEU A 55 22.118 -4.874 5.191 1.00 0.35 C ATOM 857 C LEU A 55 23.397 -5.219 4.457 1.00 0.38 C ATOM 858 O LEU A 55 24.293 -4.402 4.393 1.00 0.41 O ATOM 859 CB LEU A 55 21.256 -4.013 4.260 1.00 0.34 C ATOM 860 CG LEU A 55 19.780 -4.322 4.456 1.00 0.32 C ATOM 861 CD1 LEU A 55 19.012 -3.035 4.762 1.00 0.33 C ATOM 862 CD2 LEU A 55 19.244 -4.935 3.166 1.00 0.32 C ATOM 0 H LEU A 55 22.338 -3.126 6.380 1.00 0.36 H new ATOM 0 HA LEU A 55 21.500 -5.717 5.500 1.00 0.35 H new ATOM 0 HB2 LEU A 55 21.441 -2.957 4.458 1.00 0.34 H new ATOM 0 HB3 LEU A 55 21.537 -4.197 3.223 1.00 0.34 H new ATOM 0 HG LEU A 55 19.654 -5.013 5.289 1.00 0.32 H new ATOM 0 HD11 LEU A 55 17.956 -3.266 4.901 1.00 0.33 H new ATOM 0 HD12 LEU A 55 19.407 -2.583 5.672 1.00 0.33 H new ATOM 0 HD13 LEU A 55 19.125 -2.338 3.932 1.00 0.33 H new ATOM 0 HD21 LEU A 55 18.185 -5.165 3.285 1.00 0.32 H new ATOM 0 HD22 LEU A 55 19.372 -4.228 2.346 1.00 0.32 H new ATOM 0 HD23 LEU A 55 19.791 -5.851 2.944 1.00 0.32 H new ATOM 874 N GLU A 56 23.557 -6.380 3.938 1.00 0.38 N ATOM 875 CA GLU A 56 24.857 -6.645 3.280 1.00 0.40 C ATOM 876 C GLU A 56 24.603 -7.171 1.877 1.00 0.46 C ATOM 877 O GLU A 56 24.923 -6.522 0.900 1.00 0.71 O ATOM 878 CB GLU A 56 25.659 -7.619 4.156 1.00 0.37 C ATOM 879 CG GLU A 56 26.813 -8.231 3.352 1.00 0.39 C ATOM 880 CD GLU A 56 28.135 -7.605 3.801 1.00 1.03 C ATOM 881 OE1 GLU A 56 28.089 -6.574 4.452 1.00 1.45 O ATOM 882 OE2 GLU A 56 29.171 -8.166 3.484 1.00 1.18 O ATOM 0 H GLU A 56 22.877 -7.140 3.933 1.00 0.38 H new ATOM 0 HA GLU A 56 25.450 -5.736 3.176 1.00 0.40 H new ATOM 0 HB2 GLU A 56 26.052 -7.096 5.028 1.00 0.37 H new ATOM 0 HB3 GLU A 56 25.005 -8.409 4.526 1.00 0.37 H new ATOM 0 HG2 GLU A 56 26.841 -9.311 3.499 1.00 0.39 H new ATOM 0 HG3 GLU A 56 26.660 -8.059 2.287 1.00 0.39 H new ATOM 889 N ASN A 57 23.993 -8.303 1.747 1.00 0.27 N ATOM 890 CA ASN A 57 23.692 -8.794 0.386 1.00 0.31 C ATOM 891 C ASN A 57 22.188 -8.670 0.177 1.00 0.28 C ATOM 892 O ASN A 57 21.610 -9.311 -0.678 1.00 0.29 O ATOM 893 CB ASN A 57 24.145 -10.244 0.220 1.00 0.32 C ATOM 894 CG ASN A 57 24.951 -10.376 -1.073 1.00 0.41 C ATOM 895 OD1 ASN A 57 26.124 -10.063 -1.104 1.00 0.27 O ATOM 896 ND2 ASN A 57 24.367 -10.830 -2.148 1.00 0.68 N ATOM 0 H ASN A 57 23.692 -8.905 2.513 1.00 0.27 H new ATOM 0 HA ASN A 57 24.228 -8.205 -0.358 1.00 0.31 H new ATOM 0 HB2 ASN A 57 24.752 -10.548 1.073 1.00 0.32 H new ATOM 0 HB3 ASN A 57 23.280 -10.907 0.192 1.00 0.32 H new ATOM 0 HD21 ASN A 57 24.896 -10.922 -3.015 1.00 0.68 H new ATOM 0 HD22 ASN A 57 23.382 -11.093 -2.121 1.00 0.68 H new ATOM 903 N LEU A 58 21.547 -7.819 0.948 1.00 0.27 N ATOM 904 CA LEU A 58 20.085 -7.630 0.784 1.00 0.28 C ATOM 905 C LEU A 58 19.873 -6.351 -0.011 1.00 0.26 C ATOM 906 O LEU A 58 20.055 -5.257 0.483 1.00 0.22 O ATOM 907 CB LEU A 58 19.414 -7.522 2.148 1.00 0.30 C ATOM 908 CG LEU A 58 18.962 -8.906 2.587 1.00 0.39 C ATOM 909 CD1 LEU A 58 18.885 -8.952 4.108 1.00 0.95 C ATOM 910 CD2 LEU A 58 17.583 -9.205 1.996 1.00 0.93 C ATOM 0 H LEU A 58 21.980 -7.254 1.678 1.00 0.27 H new ATOM 0 HA LEU A 58 19.645 -8.479 0.261 1.00 0.28 H new ATOM 0 HB2 LEU A 58 20.108 -7.103 2.877 1.00 0.30 H new ATOM 0 HB3 LEU A 58 18.561 -6.846 2.096 1.00 0.30 H new ATOM 0 HG LEU A 58 19.675 -9.651 2.235 1.00 0.39 H new ATOM 0 HD11 LEU A 58 18.561 -9.943 4.426 1.00 0.95 H new ATOM 0 HD12 LEU A 58 19.868 -8.739 4.529 1.00 0.95 H new ATOM 0 HD13 LEU A 58 18.171 -8.207 4.459 1.00 0.95 H new ATOM 0 HD21 LEU A 58 17.260 -10.197 2.311 1.00 0.93 H new ATOM 0 HD22 LEU A 58 16.868 -8.461 2.347 1.00 0.93 H new ATOM 0 HD23 LEU A 58 17.638 -9.170 0.908 1.00 0.93 H new ATOM 922 N TYR A 59 19.542 -6.486 -1.257 1.00 0.29 N ATOM 923 CA TYR A 59 19.375 -5.293 -2.120 1.00 0.28 C ATOM 924 C TYR A 59 17.916 -4.874 -2.210 1.00 0.22 C ATOM 925 O TYR A 59 17.043 -5.669 -2.491 1.00 0.16 O ATOM 926 CB TYR A 59 19.883 -5.657 -3.498 1.00 0.26 C ATOM 927 CG TYR A 59 21.332 -6.073 -3.378 1.00 0.30 C ATOM 928 CD1 TYR A 59 22.027 -5.872 -2.167 1.00 0.31 C ATOM 929 CD2 TYR A 59 21.986 -6.657 -4.470 1.00 0.38 C ATOM 930 CE1 TYR A 59 23.370 -6.258 -2.064 1.00 0.34 C ATOM 931 CE2 TYR A 59 23.328 -7.041 -4.360 1.00 0.43 C ATOM 932 CZ TYR A 59 24.018 -6.842 -3.159 1.00 0.40 C ATOM 933 OH TYR A 59 25.341 -7.223 -3.053 1.00 0.45 O ATOM 0 H TYR A 59 19.378 -7.380 -1.720 1.00 0.29 H new ATOM 0 HA TYR A 59 19.931 -4.455 -1.699 1.00 0.28 H new ATOM 0 HB2 TYR A 59 19.289 -6.468 -3.919 1.00 0.26 H new ATOM 0 HB3 TYR A 59 19.787 -4.808 -4.174 1.00 0.26 H new ATOM 0 HD1 TYR A 59 21.526 -5.422 -1.323 1.00 0.31 H new ATOM 0 HD2 TYR A 59 21.455 -6.811 -5.398 1.00 0.38 H new ATOM 0 HE1 TYR A 59 23.906 -6.105 -1.139 1.00 0.34 H new ATOM 0 HE2 TYR A 59 23.831 -7.491 -5.203 1.00 0.43 H new ATOM 0 HH TYR A 59 25.638 -7.612 -3.902 1.00 0.45 H new ATOM 943 N ILE A 60 17.654 -3.618 -1.995 1.00 0.30 N ATOM 944 CA ILE A 60 16.266 -3.120 -2.077 1.00 0.23 C ATOM 945 C ILE A 60 16.000 -2.629 -3.504 1.00 0.23 C ATOM 946 O ILE A 60 16.530 -1.621 -3.920 1.00 0.32 O ATOM 947 CB ILE A 60 16.130 -1.955 -1.100 1.00 0.33 C ATOM 948 CG1 ILE A 60 16.753 -2.334 0.248 1.00 0.60 C ATOM 949 CG2 ILE A 60 14.655 -1.613 -0.901 1.00 0.26 C ATOM 950 CD1 ILE A 60 17.824 -1.303 0.600 1.00 2.07 C ATOM 0 H ILE A 60 18.353 -2.912 -1.764 1.00 0.30 H new ATOM 0 HA ILE A 60 15.553 -3.906 -1.829 1.00 0.23 H new ATOM 0 HB ILE A 60 16.649 -1.087 -1.508 1.00 0.33 H new ATOM 0 HG12 ILE A 60 15.987 -2.363 1.023 1.00 0.60 H new ATOM 0 HG13 ILE A 60 17.191 -3.331 0.195 1.00 0.60 H new ATOM 0 HG21 ILE A 60 14.565 -0.781 -0.203 1.00 0.26 H new ATOM 0 HG22 ILE A 60 14.214 -1.333 -1.858 1.00 0.26 H new ATOM 0 HG23 ILE A 60 14.131 -2.481 -0.500 1.00 0.26 H new ATOM 0 HD11 ILE A 60 18.276 -1.561 1.558 1.00 2.07 H new ATOM 0 HD12 ILE A 60 18.592 -1.297 -0.174 1.00 2.07 H new ATOM 0 HD13 ILE A 60 17.369 -0.315 0.667 1.00 2.07 H new ATOM 962 N ALA A 61 15.195 -3.327 -4.265 1.00 0.45 N ATOM 963 CA ALA A 61 14.924 -2.864 -5.659 1.00 0.62 C ATOM 964 C ALA A 61 13.411 -2.712 -5.887 1.00 1.00 C ATOM 965 O ALA A 61 12.729 -3.674 -6.180 1.00 1.29 O ATOM 966 CB ALA A 61 15.476 -3.896 -6.645 1.00 0.78 C ATOM 0 H ALA A 61 14.720 -4.185 -3.986 1.00 0.45 H new ATOM 0 HA ALA A 61 15.406 -1.898 -5.812 1.00 0.62 H new ATOM 0 HB1 ALA A 61 15.282 -3.565 -7.665 1.00 0.78 H new ATOM 0 HB2 ALA A 61 16.551 -4.003 -6.496 1.00 0.78 H new ATOM 0 HB3 ALA A 61 14.989 -4.857 -6.477 1.00 0.78 H new ATOM 1243 N LYS A 78 21.232 -0.228 6.229 1.00 1.02 N ATOM 1244 CA LYS A 78 21.922 -0.646 7.477 1.00 0.46 C ATOM 1245 C LYS A 78 20.883 -0.995 8.547 1.00 0.38 C ATOM 1246 O LYS A 78 20.559 -0.177 9.385 1.00 0.40 O ATOM 1247 CB LYS A 78 22.778 0.526 7.971 1.00 0.29 C ATOM 1248 CG LYS A 78 23.825 0.884 6.911 1.00 2.14 C ATOM 1249 CD LYS A 78 23.208 1.821 5.866 1.00 3.40 C ATOM 1250 CE LYS A 78 23.568 3.271 6.198 1.00 2.58 C ATOM 1251 NZ LYS A 78 22.365 4.133 6.022 1.00 4.02 N ATOM 0 HA LYS A 78 22.546 -1.519 7.284 1.00 0.46 H new ATOM 0 HB2 LYS A 78 22.145 1.389 8.177 1.00 0.29 H new ATOM 0 HB3 LYS A 78 23.270 0.261 8.907 1.00 0.29 H new ATOM 0 HG2 LYS A 78 24.683 1.364 7.382 1.00 2.14 H new ATOM 0 HG3 LYS A 78 24.192 -0.022 6.429 1.00 2.14 H new ATOM 0 HD2 LYS A 78 23.573 1.564 4.872 1.00 3.40 H new ATOM 0 HD3 LYS A 78 22.125 1.700 5.849 1.00 3.40 H new ATOM 0 HE2 LYS A 78 23.932 3.341 7.223 1.00 2.58 H new ATOM 0 HE3 LYS A 78 24.373 3.615 5.549 1.00 2.58 H new ATOM 0 HZ1 LYS A 78 22.608 5.119 6.247 1.00 4.02 H new ATOM 0 HZ2 LYS A 78 22.037 4.074 5.037 1.00 4.02 H new ATOM 0 HZ3 LYS A 78 21.609 3.809 6.659 1.00 4.02 H new ATOM 1265 N LEU A 79 20.348 -2.192 8.543 1.00 0.32 N ATOM 1266 CA LEU A 79 19.331 -2.525 9.596 1.00 0.29 C ATOM 1267 C LEU A 79 19.919 -2.252 10.996 1.00 0.24 C ATOM 1268 O LEU A 79 21.114 -2.162 11.176 1.00 0.24 O ATOM 1269 CB LEU A 79 18.934 -4.000 9.479 1.00 0.28 C ATOM 1270 CG LEU A 79 18.639 -4.352 8.018 1.00 0.43 C ATOM 1271 CD1 LEU A 79 19.295 -5.690 7.676 1.00 0.76 C ATOM 1272 CD2 LEU A 79 17.127 -4.466 7.815 1.00 0.72 C ATOM 0 H LEU A 79 20.561 -2.935 7.878 1.00 0.32 H new ATOM 0 HA LEU A 79 18.448 -1.902 9.453 1.00 0.29 H new ATOM 0 HB2 LEU A 79 19.737 -4.632 9.858 1.00 0.28 H new ATOM 0 HB3 LEU A 79 18.056 -4.198 10.093 1.00 0.28 H new ATOM 0 HG LEU A 79 19.037 -3.571 7.370 1.00 0.43 H new ATOM 0 HD11 LEU A 79 19.086 -5.942 6.636 1.00 0.76 H new ATOM 0 HD12 LEU A 79 20.373 -5.615 7.822 1.00 0.76 H new ATOM 0 HD13 LEU A 79 18.895 -6.468 8.326 1.00 0.76 H new ATOM 0 HD21 LEU A 79 16.917 -4.717 6.775 1.00 0.72 H new ATOM 0 HD22 LEU A 79 16.731 -5.247 8.463 1.00 0.72 H new ATOM 0 HD23 LEU A 79 16.654 -3.515 8.062 1.00 0.72 H new ATOM 1284 N LEU A 80 19.079 -2.096 11.989 1.00 0.26 N ATOM 1285 CA LEU A 80 19.585 -1.819 13.371 1.00 0.23 C ATOM 1286 C LEU A 80 19.315 -3.022 14.288 1.00 0.21 C ATOM 1287 O LEU A 80 18.191 -3.450 14.439 1.00 0.28 O ATOM 1288 CB LEU A 80 18.868 -0.587 13.925 1.00 0.28 C ATOM 1289 CG LEU A 80 19.865 0.565 14.054 1.00 0.46 C ATOM 1290 CD1 LEU A 80 20.992 0.158 15.003 1.00 2.88 C ATOM 1291 CD2 LEU A 80 20.452 0.887 12.678 1.00 2.18 C ATOM 0 H LEU A 80 18.064 -2.148 11.903 1.00 0.26 H new ATOM 0 HA LEU A 80 20.660 -1.641 13.331 1.00 0.23 H new ATOM 0 HB2 LEU A 80 18.049 -0.302 13.265 1.00 0.28 H new ATOM 0 HB3 LEU A 80 18.430 -0.814 14.897 1.00 0.28 H new ATOM 0 HG LEU A 80 19.356 1.444 14.448 1.00 0.46 H new ATOM 0 HD11 LEU A 80 21.704 0.978 15.096 1.00 2.88 H new ATOM 0 HD12 LEU A 80 20.576 -0.074 15.983 1.00 2.88 H new ATOM 0 HD13 LEU A 80 21.501 -0.721 14.607 1.00 2.88 H new ATOM 0 HD21 LEU A 80 21.163 1.708 12.769 1.00 2.18 H new ATOM 0 HD22 LEU A 80 20.962 0.007 12.285 1.00 2.18 H new ATOM 0 HD23 LEU A 80 19.650 1.175 11.999 1.00 2.18 H new ATOM 1303 N LEU A 81 20.329 -3.561 14.918 1.00 0.19 N ATOM 1304 CA LEU A 81 20.113 -4.711 15.832 1.00 0.25 C ATOM 1305 C LEU A 81 20.579 -4.362 17.220 1.00 0.25 C ATOM 1306 O LEU A 81 21.732 -4.038 17.421 1.00 0.25 O ATOM 1307 CB LEU A 81 20.965 -5.912 15.432 1.00 0.31 C ATOM 1308 CG LEU A 81 20.100 -6.997 14.786 1.00 0.33 C ATOM 1309 CD1 LEU A 81 20.925 -8.270 14.632 1.00 0.41 C ATOM 1310 CD2 LEU A 81 18.894 -7.295 15.676 1.00 0.24 C ATOM 0 H LEU A 81 21.297 -3.250 14.835 1.00 0.19 H new ATOM 0 HA LEU A 81 19.049 -4.941 15.785 1.00 0.25 H new ATOM 0 HB2 LEU A 81 21.742 -5.597 14.736 1.00 0.31 H new ATOM 0 HB3 LEU A 81 21.468 -6.316 16.310 1.00 0.31 H new ATOM 0 HG LEU A 81 19.758 -6.650 13.811 1.00 0.33 H new ATOM 0 HD11 LEU A 81 20.314 -9.046 14.172 1.00 0.41 H new ATOM 0 HD12 LEU A 81 21.791 -8.068 14.001 1.00 0.41 H new ATOM 0 HD13 LEU A 81 21.261 -8.606 15.613 1.00 0.41 H new ATOM 0 HD21 LEU A 81 18.281 -8.068 15.212 1.00 0.24 H new ATOM 0 HD22 LEU A 81 19.238 -7.641 16.651 1.00 0.24 H new ATOM 0 HD23 LEU A 81 18.301 -6.389 15.801 1.00 0.24 H new ATOM 1322 N HIS A 82 19.756 -4.530 18.190 1.00 0.28 N ATOM 1323 CA HIS A 82 20.267 -4.319 19.557 1.00 0.30 C ATOM 1324 C HIS A 82 21.461 -5.270 19.602 1.00 0.27 C ATOM 1325 O HIS A 82 21.394 -6.358 19.066 1.00 0.28 O ATOM 1326 CB HIS A 82 19.206 -4.695 20.595 1.00 0.43 C ATOM 1327 CG HIS A 82 18.246 -3.548 20.760 1.00 0.40 C ATOM 1328 ND1 HIS A 82 16.879 -3.695 20.581 1.00 0.52 N ATOM 1329 CD2 HIS A 82 18.443 -2.228 21.078 1.00 0.58 C ATOM 1330 CE1 HIS A 82 16.312 -2.492 20.789 1.00 0.83 C ATOM 1331 NE2 HIS A 82 17.220 -1.562 21.095 1.00 0.85 N ATOM 0 H HIS A 82 18.775 -4.797 18.108 1.00 0.28 H new ATOM 0 HA HIS A 82 20.530 -3.285 19.782 1.00 0.30 H new ATOM 0 HB2 HIS A 82 18.671 -5.590 20.278 1.00 0.43 H new ATOM 0 HB3 HIS A 82 19.680 -4.928 21.549 1.00 0.43 H new ATOM 0 HD2 HIS A 82 19.401 -1.774 21.284 1.00 0.58 H new ATOM 0 HE1 HIS A 82 15.251 -2.302 20.717 1.00 0.83 H new ATOM 0 HE2 HIS A 82 17.054 -0.576 21.298 1.00 0.85 H new ATOM 1339 N LYS A 83 22.574 -4.871 20.121 1.00 0.29 N ATOM 1340 CA LYS A 83 23.754 -5.777 20.036 1.00 0.34 C ATOM 1341 C LYS A 83 23.474 -7.132 20.685 1.00 0.35 C ATOM 1342 O LYS A 83 23.975 -8.145 20.239 1.00 0.42 O ATOM 1343 CB LYS A 83 24.959 -5.135 20.724 1.00 0.40 C ATOM 1344 CG LYS A 83 26.204 -5.975 20.445 1.00 0.63 C ATOM 1345 CD LYS A 83 26.497 -6.877 21.646 1.00 0.72 C ATOM 1346 CE LYS A 83 27.957 -6.702 22.068 1.00 0.87 C ATOM 1347 NZ LYS A 83 28.643 -8.025 22.045 1.00 1.89 N ATOM 0 H LYS A 83 22.726 -3.979 20.592 1.00 0.29 H new ATOM 0 HA LYS A 83 23.966 -5.937 18.979 1.00 0.34 H new ATOM 0 HB2 LYS A 83 25.102 -4.118 20.358 1.00 0.40 H new ATOM 0 HB3 LYS A 83 24.786 -5.066 21.798 1.00 0.40 H new ATOM 0 HG2 LYS A 83 26.053 -6.581 19.551 1.00 0.63 H new ATOM 0 HG3 LYS A 83 27.057 -5.325 20.249 1.00 0.63 H new ATOM 0 HD2 LYS A 83 25.835 -6.625 22.474 1.00 0.72 H new ATOM 0 HD3 LYS A 83 26.304 -7.918 21.389 1.00 0.72 H new ATOM 0 HE2 LYS A 83 28.460 -6.008 21.395 1.00 0.87 H new ATOM 0 HE3 LYS A 83 28.009 -6.271 23.068 1.00 0.87 H new ATOM 0 HZ1 LYS A 83 29.673 -7.883 22.080 1.00 1.89 H new ATOM 0 HZ2 LYS A 83 28.343 -8.586 22.868 1.00 1.89 H new ATOM 0 HZ3 LYS A 83 28.393 -8.531 21.171 1.00 1.89 H new ATOM 1361 N HIS A 84 22.693 -7.183 21.719 1.00 0.30 N ATOM 1362 CA HIS A 84 22.427 -8.504 22.345 1.00 0.36 C ATOM 1363 C HIS A 84 21.855 -9.441 21.278 1.00 0.31 C ATOM 1364 O HIS A 84 22.119 -10.627 21.269 1.00 0.38 O ATOM 1365 CB HIS A 84 21.420 -8.338 23.486 1.00 0.37 C ATOM 1366 CG HIS A 84 22.110 -7.732 24.677 1.00 0.95 C ATOM 1367 ND1 HIS A 84 21.524 -7.693 25.932 1.00 1.21 N ATOM 1368 CD2 HIS A 84 23.338 -7.132 24.818 1.00 1.48 C ATOM 1369 CE1 HIS A 84 22.391 -7.088 26.766 1.00 1.90 C ATOM 1370 NE2 HIS A 84 23.513 -6.726 26.137 1.00 2.09 N ATOM 0 H HIS A 84 22.233 -6.384 22.154 1.00 0.30 H new ATOM 0 HA HIS A 84 23.350 -8.921 22.749 1.00 0.36 H new ATOM 0 HB2 HIS A 84 20.594 -7.702 23.167 1.00 0.37 H new ATOM 0 HB3 HIS A 84 20.993 -9.305 23.752 1.00 0.37 H new ATOM 0 HD2 HIS A 84 24.058 -6.996 24.025 1.00 1.48 H new ATOM 0 HE1 HIS A 84 22.202 -6.916 27.815 1.00 1.90 H new ATOM 0 HE2 HIS A 84 24.323 -6.254 26.538 1.00 2.09 H new ATOM 1378 N GLU A 85 21.076 -8.910 20.378 1.00 0.24 N ATOM 1379 CA GLU A 85 20.480 -9.748 19.294 1.00 0.27 C ATOM 1380 C GLU A 85 21.535 -10.128 18.247 1.00 0.39 C ATOM 1381 O GLU A 85 21.563 -11.235 17.747 1.00 0.58 O ATOM 1382 CB GLU A 85 19.383 -8.944 18.594 1.00 0.26 C ATOM 1383 CG GLU A 85 18.455 -8.331 19.640 1.00 0.21 C ATOM 1384 CD GLU A 85 17.001 -8.627 19.272 1.00 1.37 C ATOM 1385 OE1 GLU A 85 16.646 -9.793 19.236 1.00 2.16 O ATOM 1386 OE2 GLU A 85 16.266 -7.682 19.035 1.00 2.02 O ATOM 0 H GLU A 85 20.823 -7.922 20.345 1.00 0.24 H new ATOM 0 HA GLU A 85 20.080 -10.657 19.743 1.00 0.27 H new ATOM 0 HB2 GLU A 85 19.827 -8.159 17.982 1.00 0.26 H new ATOM 0 HB3 GLU A 85 18.816 -9.589 17.923 1.00 0.26 H new ATOM 0 HG2 GLU A 85 18.682 -8.739 20.625 1.00 0.21 H new ATOM 0 HG3 GLU A 85 18.615 -7.254 19.696 1.00 0.21 H new ATOM 1393 N LEU A 86 22.357 -9.190 17.870 1.00 0.27 N ATOM 1394 CA LEU A 86 23.371 -9.438 16.800 1.00 0.36 C ATOM 1395 C LEU A 86 24.404 -10.506 17.195 1.00 0.43 C ATOM 1396 O LEU A 86 24.719 -11.386 16.418 1.00 0.52 O ATOM 1397 CB LEU A 86 24.092 -8.112 16.545 1.00 0.35 C ATOM 1398 CG LEU A 86 24.974 -8.191 15.294 1.00 0.24 C ATOM 1399 CD1 LEU A 86 24.402 -9.198 14.288 1.00 1.31 C ATOM 1400 CD2 LEU A 86 25.031 -6.805 14.651 1.00 1.32 C ATOM 0 H LEU A 86 22.372 -8.248 18.261 1.00 0.27 H new ATOM 0 HA LEU A 86 22.859 -9.810 15.912 1.00 0.36 H new ATOM 0 HB2 LEU A 86 23.359 -7.314 16.426 1.00 0.35 H new ATOM 0 HB3 LEU A 86 24.705 -7.856 17.409 1.00 0.35 H new ATOM 0 HG LEU A 86 25.973 -8.522 15.579 1.00 0.24 H new ATOM 0 HD11 LEU A 86 25.044 -9.238 13.408 1.00 1.31 H new ATOM 0 HD12 LEU A 86 24.355 -10.185 14.748 1.00 1.31 H new ATOM 0 HD13 LEU A 86 23.400 -8.888 13.992 1.00 1.31 H new ATOM 0 HD21 LEU A 86 25.655 -6.843 13.758 1.00 1.32 H new ATOM 0 HD22 LEU A 86 24.024 -6.490 14.376 1.00 1.32 H new ATOM 0 HD23 LEU A 86 25.454 -6.092 15.359 1.00 1.32 H new ATOM 1412 N ARG A 87 24.968 -10.416 18.363 1.00 0.43 N ATOM 1413 CA ARG A 87 26.020 -11.402 18.767 1.00 0.53 C ATOM 1414 C ARG A 87 25.472 -12.830 18.982 1.00 0.53 C ATOM 1415 O ARG A 87 26.177 -13.794 18.764 1.00 0.64 O ATOM 1416 CB ARG A 87 26.660 -10.922 20.071 1.00 0.58 C ATOM 1417 CG ARG A 87 27.918 -11.743 20.361 1.00 0.75 C ATOM 1418 CD ARG A 87 28.229 -11.682 21.858 1.00 1.75 C ATOM 1419 NE ARG A 87 27.216 -12.475 22.607 1.00 3.73 N ATOM 1420 CZ ARG A 87 27.024 -13.733 22.315 1.00 3.45 C ATOM 1421 NH1 ARG A 87 28.029 -14.565 22.322 1.00 3.45 N ATOM 1422 NH2 ARG A 87 25.829 -14.157 22.006 1.00 3.50 N ATOM 0 H ARG A 87 24.750 -9.704 19.060 1.00 0.43 H new ATOM 0 HA ARG A 87 26.742 -11.456 17.952 1.00 0.53 H new ATOM 0 HB2 ARG A 87 26.914 -9.865 19.995 1.00 0.58 H new ATOM 0 HB3 ARG A 87 25.951 -11.022 20.893 1.00 0.58 H new ATOM 0 HG2 ARG A 87 27.770 -12.777 20.051 1.00 0.75 H new ATOM 0 HG3 ARG A 87 28.760 -11.355 19.787 1.00 0.75 H new ATOM 0 HD2 ARG A 87 29.228 -12.074 22.049 1.00 1.75 H new ATOM 0 HD3 ARG A 87 28.222 -10.647 22.200 1.00 1.75 H new ATOM 0 HE ARG A 87 26.671 -12.035 23.349 1.00 3.73 H new ATOM 0 HH11 ARG A 87 28.965 -14.233 22.556 1.00 3.45 H new ATOM 0 HH12 ARG A 87 27.879 -15.548 22.094 1.00 3.45 H new ATOM 0 HH21 ARG A 87 25.044 -13.505 21.992 1.00 3.50 H new ATOM 0 HH22 ARG A 87 25.680 -15.140 21.778 1.00 3.50 H new ATOM 1436 N ARG A 88 24.264 -12.991 19.456 1.00 0.47 N ATOM 1437 CA ARG A 88 23.759 -14.381 19.729 1.00 0.56 C ATOM 1438 C ARG A 88 23.315 -15.131 18.458 1.00 0.59 C ATOM 1439 O ARG A 88 23.654 -16.282 18.268 1.00 0.66 O ATOM 1440 CB ARG A 88 22.572 -14.306 20.691 1.00 0.68 C ATOM 1441 CG ARG A 88 22.987 -14.860 22.058 1.00 1.63 C ATOM 1442 CD ARG A 88 21.789 -15.527 22.745 1.00 0.64 C ATOM 1443 NE ARG A 88 20.529 -15.153 22.044 1.00 1.82 N ATOM 1444 CZ ARG A 88 19.791 -14.178 22.500 1.00 3.41 C ATOM 1445 NH1 ARG A 88 19.000 -14.381 23.518 1.00 4.04 N ATOM 1446 NH2 ARG A 88 19.847 -12.999 21.942 1.00 4.56 N ATOM 0 H ARG A 88 23.610 -12.237 19.665 1.00 0.47 H new ATOM 0 HA ARG A 88 24.591 -14.937 20.160 1.00 0.56 H new ATOM 0 HB2 ARG A 88 22.236 -13.274 20.792 1.00 0.68 H new ATOM 0 HB3 ARG A 88 21.732 -14.877 20.295 1.00 0.68 H new ATOM 0 HG2 ARG A 88 23.794 -15.582 21.936 1.00 1.63 H new ATOM 0 HG3 ARG A 88 23.372 -14.055 22.683 1.00 1.63 H new ATOM 0 HD2 ARG A 88 21.911 -16.610 22.738 1.00 0.64 H new ATOM 0 HD3 ARG A 88 21.740 -15.219 23.789 1.00 0.64 H new ATOM 0 HE ARG A 88 20.243 -15.660 21.206 1.00 1.82 H new ATOM 0 HH11 ARG A 88 18.959 -15.301 23.956 1.00 4.04 H new ATOM 0 HH12 ARG A 88 18.423 -13.620 23.875 1.00 4.04 H new ATOM 0 HH21 ARG A 88 20.468 -12.839 21.149 1.00 4.56 H new ATOM 0 HH22 ARG A 88 19.270 -12.238 22.299 1.00 4.56 H new ATOM 1460 N LEU A 89 22.534 -14.521 17.611 1.00 0.56 N ATOM 1461 CA LEU A 89 22.046 -15.241 16.390 1.00 0.58 C ATOM 1462 C LEU A 89 23.194 -15.456 15.399 1.00 0.54 C ATOM 1463 O LEU A 89 23.364 -16.527 14.849 1.00 0.63 O ATOM 1464 CB LEU A 89 20.934 -14.397 15.761 1.00 0.59 C ATOM 1465 CG LEU A 89 20.778 -14.662 14.255 1.00 0.66 C ATOM 1466 CD1 LEU A 89 21.889 -13.969 13.462 1.00 0.54 C ATOM 1467 CD2 LEU A 89 20.813 -16.160 13.991 1.00 0.82 C ATOM 0 H LEU A 89 22.210 -13.558 17.706 1.00 0.56 H new ATOM 0 HA LEU A 89 21.661 -16.225 16.659 1.00 0.58 H new ATOM 0 HB2 LEU A 89 19.991 -14.610 16.264 1.00 0.59 H new ATOM 0 HB3 LEU A 89 21.149 -13.340 15.921 1.00 0.59 H new ATOM 0 HG LEU A 89 19.820 -14.257 13.930 1.00 0.66 H new ATOM 0 HD11 LEU A 89 21.758 -14.171 12.399 1.00 0.54 H new ATOM 0 HD12 LEU A 89 21.843 -12.894 13.635 1.00 0.54 H new ATOM 0 HD13 LEU A 89 22.858 -14.348 13.786 1.00 0.54 H new ATOM 0 HD21 LEU A 89 20.702 -16.344 12.922 1.00 0.82 H new ATOM 0 HD22 LEU A 89 21.765 -16.567 14.332 1.00 0.82 H new ATOM 0 HD23 LEU A 89 19.997 -16.643 14.529 1.00 0.82 H new ATOM 1479 N LEU A 90 23.977 -14.448 15.169 1.00 0.47 N ATOM 1480 CA LEU A 90 25.111 -14.571 14.213 1.00 0.49 C ATOM 1481 C LEU A 90 26.096 -15.643 14.693 1.00 0.45 C ATOM 1482 O LEU A 90 26.735 -16.308 13.906 1.00 0.40 O ATOM 1483 CB LEU A 90 25.812 -13.209 14.107 1.00 0.66 C ATOM 1484 CG LEU A 90 27.159 -13.343 13.384 1.00 0.68 C ATOM 1485 CD1 LEU A 90 28.219 -13.908 14.336 1.00 0.71 C ATOM 1486 CD2 LEU A 90 27.012 -14.261 12.169 1.00 0.52 C ATOM 0 H LEU A 90 23.882 -13.531 15.606 1.00 0.47 H new ATOM 0 HA LEU A 90 24.738 -14.870 13.233 1.00 0.49 H new ATOM 0 HB2 LEU A 90 25.174 -12.508 13.569 1.00 0.66 H new ATOM 0 HB3 LEU A 90 25.969 -12.797 15.104 1.00 0.66 H new ATOM 0 HG LEU A 90 27.475 -12.355 13.050 1.00 0.68 H new ATOM 0 HD11 LEU A 90 29.170 -13.998 13.810 1.00 0.71 H new ATOM 0 HD12 LEU A 90 28.337 -13.238 15.188 1.00 0.71 H new ATOM 0 HD13 LEU A 90 27.905 -14.891 14.688 1.00 0.71 H new ATOM 0 HD21 LEU A 90 27.973 -14.350 11.662 1.00 0.52 H new ATOM 0 HD22 LEU A 90 26.681 -15.247 12.496 1.00 0.52 H new ATOM 0 HD23 LEU A 90 26.277 -13.841 11.482 1.00 0.52 H new ATOM 1498 N GLY A 91 26.255 -15.789 15.975 1.00 0.50 N ATOM 1499 CA GLY A 91 27.236 -16.782 16.501 1.00 0.53 C ATOM 1500 C GLY A 91 26.933 -18.213 16.020 1.00 0.47 C ATOM 1501 O GLY A 91 27.797 -19.067 16.068 1.00 0.48 O ATOM 0 H GLY A 91 25.748 -15.263 16.687 1.00 0.50 H new ATOM 0 HA2 GLY A 91 28.240 -16.500 16.185 1.00 0.53 H new ATOM 0 HA3 GLY A 91 27.226 -16.757 17.591 1.00 0.53 H new ATOM 1505 N LYS A 92 25.738 -18.513 15.575 1.00 0.42 N ATOM 1506 CA LYS A 92 25.469 -19.915 15.131 1.00 0.41 C ATOM 1507 C LYS A 92 25.851 -20.112 13.655 1.00 0.37 C ATOM 1508 O LYS A 92 26.308 -21.168 13.264 1.00 0.38 O ATOM 1509 CB LYS A 92 23.987 -20.230 15.316 1.00 0.42 C ATOM 1510 CG LYS A 92 23.756 -20.765 16.730 1.00 0.66 C ATOM 1511 CD LYS A 92 24.490 -22.098 16.888 1.00 1.41 C ATOM 1512 CE LYS A 92 23.942 -22.849 18.102 1.00 0.89 C ATOM 1513 NZ LYS A 92 24.206 -24.307 17.938 1.00 1.39 N ATOM 0 H LYS A 92 24.954 -17.865 15.501 1.00 0.42 H new ATOM 0 HA LYS A 92 26.075 -20.589 15.736 1.00 0.41 H new ATOM 0 HB2 LYS A 92 23.390 -19.333 15.152 1.00 0.42 H new ATOM 0 HB3 LYS A 92 23.665 -20.966 14.579 1.00 0.42 H new ATOM 0 HG2 LYS A 92 24.117 -20.048 17.467 1.00 0.66 H new ATOM 0 HG3 LYS A 92 22.690 -20.899 16.912 1.00 0.66 H new ATOM 0 HD2 LYS A 92 24.365 -22.701 15.989 1.00 1.41 H new ATOM 0 HD3 LYS A 92 25.559 -21.923 17.009 1.00 1.41 H new ATOM 0 HE2 LYS A 92 24.413 -22.483 19.014 1.00 0.89 H new ATOM 0 HE3 LYS A 92 22.871 -22.670 18.202 1.00 0.89 H new ATOM 0 HZ1 LYS A 92 23.835 -24.822 18.762 1.00 1.39 H new ATOM 0 HZ2 LYS A 92 23.737 -24.650 17.075 1.00 1.39 H new ATOM 0 HZ3 LYS A 92 25.231 -24.468 17.862 1.00 1.39 H new ATOM 1527 N VAL A 93 25.645 -19.123 12.827 1.00 0.33 N ATOM 1528 CA VAL A 93 25.968 -19.273 11.380 1.00 0.30 C ATOM 1529 C VAL A 93 27.462 -19.514 11.150 1.00 0.32 C ATOM 1530 O VAL A 93 27.866 -20.115 10.175 1.00 0.35 O ATOM 1531 CB VAL A 93 25.577 -17.996 10.652 1.00 0.32 C ATOM 1532 CG1 VAL A 93 24.078 -17.992 10.398 1.00 0.33 C ATOM 1533 CG2 VAL A 93 25.956 -16.778 11.496 1.00 0.34 C ATOM 0 H VAL A 93 25.265 -18.214 13.093 1.00 0.33 H new ATOM 0 HA VAL A 93 25.416 -20.134 11.004 1.00 0.30 H new ATOM 0 HB VAL A 93 26.107 -17.951 9.701 1.00 0.32 H new ATOM 0 HG11 VAL A 93 23.800 -17.076 9.876 1.00 0.33 H new ATOM 0 HG12 VAL A 93 23.810 -18.854 9.786 1.00 0.33 H new ATOM 0 HG13 VAL A 93 23.548 -18.043 11.349 1.00 0.33 H new ATOM 0 HG21 VAL A 93 25.673 -15.867 10.968 1.00 0.34 H new ATOM 0 HG22 VAL A 93 25.434 -16.821 12.452 1.00 0.34 H new ATOM 0 HG23 VAL A 93 27.032 -16.777 11.670 1.00 0.34 H new ATOM 1543 N GLU A 94 28.278 -19.016 12.014 1.00 0.38 N ATOM 1544 CA GLU A 94 29.754 -19.166 11.835 1.00 0.40 C ATOM 1545 C GLU A 94 30.152 -20.637 11.671 1.00 0.53 C ATOM 1546 O GLU A 94 31.260 -20.938 11.275 1.00 0.54 O ATOM 1547 CB GLU A 94 30.474 -18.589 13.052 1.00 0.52 C ATOM 1548 CG GLU A 94 31.879 -18.145 12.640 1.00 0.42 C ATOM 1549 CD GLU A 94 32.553 -17.429 13.811 1.00 0.41 C ATOM 1550 OE1 GLU A 94 32.047 -17.535 14.916 1.00 1.04 O ATOM 1551 OE2 GLU A 94 33.565 -16.786 13.583 1.00 0.53 O ATOM 0 H GLU A 94 27.995 -18.504 12.850 1.00 0.38 H new ATOM 0 HA GLU A 94 30.040 -18.628 10.931 1.00 0.40 H new ATOM 0 HB2 GLU A 94 29.915 -17.744 13.453 1.00 0.52 H new ATOM 0 HB3 GLU A 94 30.533 -19.336 13.843 1.00 0.52 H new ATOM 0 HG2 GLU A 94 32.471 -19.009 12.339 1.00 0.42 H new ATOM 0 HG3 GLU A 94 31.823 -17.481 11.777 1.00 0.42 H new ATOM 1558 N GLN A 95 29.282 -21.559 11.971 1.00 0.67 N ATOM 1559 CA GLN A 95 29.663 -22.993 11.819 1.00 0.86 C ATOM 1560 C GLN A 95 30.226 -23.231 10.411 1.00 0.88 C ATOM 1561 O GLN A 95 31.396 -23.021 10.159 1.00 1.02 O ATOM 1562 CB GLN A 95 28.442 -23.889 12.039 1.00 0.93 C ATOM 1563 CG GLN A 95 28.835 -25.347 11.791 1.00 2.70 C ATOM 1564 CD GLN A 95 27.586 -26.228 11.855 1.00 2.43 C ATOM 1565 OE1 GLN A 95 27.013 -26.559 10.838 1.00 4.02 O ATOM 1566 NE2 GLN A 95 27.140 -26.625 13.015 1.00 1.53 N ATOM 0 H GLN A 95 28.336 -21.388 12.311 1.00 0.67 H new ATOM 0 HA GLN A 95 30.422 -23.237 12.562 1.00 0.86 H new ATOM 0 HB2 GLN A 95 28.067 -23.769 13.055 1.00 0.93 H new ATOM 0 HB3 GLN A 95 27.636 -23.598 11.365 1.00 0.93 H new ATOM 0 HG2 GLN A 95 29.313 -25.445 10.817 1.00 2.70 H new ATOM 0 HG3 GLN A 95 29.561 -25.671 12.537 1.00 2.70 H new ATOM 0 HE21 GLN A 95 27.622 -26.346 13.869 1.00 1.53 H new ATOM 0 HE22 GLN A 95 26.309 -27.214 13.067 1.00 1.53 H new ATOM 1575 N LYS A 96 29.404 -23.668 9.490 1.00 0.82 N ATOM 1576 CA LYS A 96 29.896 -23.918 8.107 1.00 0.86 C ATOM 1577 C LYS A 96 28.707 -24.245 7.201 1.00 0.79 C ATOM 1578 O LYS A 96 28.089 -25.285 7.318 1.00 0.87 O ATOM 1579 CB LYS A 96 30.872 -25.096 8.114 1.00 1.09 C ATOM 1580 CG LYS A 96 32.273 -24.601 7.751 1.00 1.31 C ATOM 1581 CD LYS A 96 32.637 -25.087 6.347 1.00 2.25 C ATOM 1582 CE LYS A 96 34.032 -24.581 5.978 1.00 3.12 C ATOM 1583 NZ LYS A 96 33.925 -23.592 4.868 1.00 5.35 N ATOM 0 H LYS A 96 28.414 -23.862 9.639 1.00 0.82 H new ATOM 0 HA LYS A 96 30.407 -23.030 7.735 1.00 0.86 H new ATOM 0 HB2 LYS A 96 30.884 -25.566 9.098 1.00 1.09 H new ATOM 0 HB3 LYS A 96 30.547 -25.855 7.402 1.00 1.09 H new ATOM 0 HG2 LYS A 96 32.307 -23.512 7.791 1.00 1.31 H new ATOM 0 HG3 LYS A 96 33.000 -24.970 8.475 1.00 1.31 H new ATOM 0 HD2 LYS A 96 32.612 -26.176 6.310 1.00 2.25 H new ATOM 0 HD3 LYS A 96 31.905 -24.726 5.625 1.00 2.25 H new ATOM 0 HE2 LYS A 96 34.504 -24.120 6.845 1.00 3.12 H new ATOM 0 HE3 LYS A 96 34.665 -25.415 5.676 1.00 3.12 H new ATOM 0 HZ1 LYS A 96 34.874 -23.248 4.617 1.00 5.35 H new ATOM 0 HZ2 LYS A 96 33.491 -24.046 4.039 1.00 5.35 H new ATOM 0 HZ3 LYS A 96 33.336 -22.791 5.172 1.00 5.35 H new ATOM 1597 N GLY A 97 28.377 -23.359 6.305 1.00 0.67 N ATOM 1598 CA GLY A 97 27.222 -23.607 5.393 1.00 0.63 C ATOM 1599 C GLY A 97 25.988 -22.897 5.948 1.00 0.55 C ATOM 1600 O GLY A 97 24.873 -23.148 5.534 1.00 0.75 O ATOM 0 H GLY A 97 28.857 -22.471 6.163 1.00 0.67 H new ATOM 0 HA2 GLY A 97 27.448 -23.241 4.391 1.00 0.63 H new ATOM 0 HA3 GLY A 97 27.034 -24.677 5.307 1.00 0.63 H new ATOM 1604 N LEU A 98 26.183 -22.012 6.887 1.00 0.30 N ATOM 1605 CA LEU A 98 25.032 -21.281 7.484 1.00 0.24 C ATOM 1606 C LEU A 98 25.009 -19.844 6.977 1.00 0.22 C ATOM 1607 O LEU A 98 26.030 -19.285 6.630 1.00 0.23 O ATOM 1608 CB LEU A 98 25.184 -21.205 8.995 1.00 0.29 C ATOM 1609 CG LEU A 98 24.801 -22.524 9.638 1.00 0.36 C ATOM 1610 CD1 LEU A 98 25.389 -23.679 8.824 1.00 0.40 C ATOM 1611 CD2 LEU A 98 25.354 -22.574 11.065 1.00 0.50 C ATOM 0 H LEU A 98 27.096 -21.763 7.268 1.00 0.30 H new ATOM 0 HA LEU A 98 24.122 -21.813 7.208 1.00 0.24 H new ATOM 0 HB2 LEU A 98 26.214 -20.956 9.250 1.00 0.29 H new ATOM 0 HB3 LEU A 98 24.556 -20.406 9.389 1.00 0.29 H new ATOM 0 HG LEU A 98 23.715 -22.614 9.664 1.00 0.36 H new ATOM 0 HD11 LEU A 98 25.114 -24.627 9.286 1.00 0.40 H new ATOM 0 HD12 LEU A 98 24.998 -23.644 7.807 1.00 0.40 H new ATOM 0 HD13 LEU A 98 26.475 -23.590 8.798 1.00 0.40 H new ATOM 0 HD21 LEU A 98 25.080 -23.522 11.529 1.00 0.50 H new ATOM 0 HD22 LEU A 98 26.440 -22.485 11.038 1.00 0.50 H new ATOM 0 HD23 LEU A 98 24.937 -21.752 11.646 1.00 0.50 H new ATOM 1623 N THR A 99 23.862 -19.225 6.957 1.00 0.21 N ATOM 1624 CA THR A 99 23.823 -17.805 6.495 1.00 0.24 C ATOM 1625 C THR A 99 23.004 -16.949 7.455 1.00 0.14 C ATOM 1626 O THR A 99 22.124 -17.429 8.141 1.00 0.32 O ATOM 1627 CB THR A 99 23.191 -17.720 5.104 1.00 0.33 C ATOM 1628 OG1 THR A 99 22.812 -19.021 4.678 1.00 0.50 O ATOM 1629 CG2 THR A 99 24.202 -17.130 4.122 1.00 0.56 C ATOM 0 H THR A 99 22.967 -19.628 7.234 1.00 0.21 H new ATOM 0 HA THR A 99 24.848 -17.435 6.462 1.00 0.24 H new ATOM 0 HB THR A 99 22.309 -17.081 5.141 1.00 0.33 H new ATOM 0 HG1 THR A 99 22.405 -18.968 3.788 1.00 0.50 H new ATOM 0 HG21 THR A 99 23.753 -17.069 3.131 1.00 0.56 H new ATOM 0 HG22 THR A 99 24.490 -16.132 4.452 1.00 0.56 H new ATOM 0 HG23 THR A 99 25.085 -17.768 4.082 1.00 0.56 H new ATOM 1637 N LEU A 100 23.255 -15.665 7.465 1.00 0.50 N ATOM 1638 CA LEU A 100 22.467 -14.769 8.318 1.00 0.47 C ATOM 1639 C LEU A 100 21.619 -13.924 7.384 1.00 0.43 C ATOM 1640 O LEU A 100 22.079 -13.298 6.454 1.00 0.38 O ATOM 1641 CB LEU A 100 23.375 -13.892 9.181 1.00 0.44 C ATOM 1642 CG LEU A 100 24.789 -13.914 8.625 1.00 0.44 C ATOM 1643 CD1 LEU A 100 24.768 -13.218 7.280 1.00 0.66 C ATOM 1644 CD2 LEU A 100 25.712 -13.165 9.581 1.00 0.44 C ATOM 0 H LEU A 100 23.980 -15.210 6.910 1.00 0.50 H new ATOM 0 HA LEU A 100 21.842 -15.336 9.008 1.00 0.47 H new ATOM 0 HB2 LEU A 100 22.998 -12.870 9.200 1.00 0.44 H new ATOM 0 HB3 LEU A 100 23.373 -14.252 10.210 1.00 0.44 H new ATOM 0 HG LEU A 100 25.149 -14.937 8.514 1.00 0.44 H new ATOM 0 HD11 LEU A 100 25.772 -13.218 6.855 1.00 0.66 H new ATOM 0 HD12 LEU A 100 24.089 -13.744 6.609 1.00 0.66 H new ATOM 0 HD13 LEU A 100 24.428 -12.190 7.407 1.00 0.66 H new ATOM 0 HD21 LEU A 100 26.729 -13.176 9.189 1.00 0.44 H new ATOM 0 HD22 LEU A 100 25.373 -12.134 9.681 1.00 0.44 H new ATOM 0 HD23 LEU A 100 25.694 -13.649 10.558 1.00 0.44 H new ATOM 1656 N VAL A 101 20.374 -13.961 7.599 1.00 0.45 N ATOM 1657 CA VAL A 101 19.446 -13.221 6.715 1.00 0.43 C ATOM 1658 C VAL A 101 18.237 -12.704 7.504 1.00 0.36 C ATOM 1659 O VAL A 101 17.553 -13.488 8.114 1.00 0.22 O ATOM 1660 CB VAL A 101 18.975 -14.198 5.635 1.00 0.47 C ATOM 1661 CG1 VAL A 101 18.285 -15.387 6.306 1.00 0.89 C ATOM 1662 CG2 VAL A 101 17.990 -13.503 4.694 1.00 0.65 C ATOM 0 H VAL A 101 19.930 -14.477 8.359 1.00 0.45 H new ATOM 0 HA VAL A 101 19.951 -12.359 6.278 1.00 0.43 H new ATOM 0 HB VAL A 101 19.834 -14.542 5.058 1.00 0.47 H new ATOM 0 HG11 VAL A 101 17.946 -16.089 5.544 1.00 0.89 H new ATOM 0 HG12 VAL A 101 18.988 -15.887 6.972 1.00 0.89 H new ATOM 0 HG13 VAL A 101 17.429 -15.034 6.881 1.00 0.89 H new ATOM 0 HG21 VAL A 101 17.660 -14.206 3.929 1.00 0.65 H new ATOM 0 HG22 VAL A 101 17.128 -13.155 5.263 1.00 0.65 H new ATOM 0 HG23 VAL A 101 18.479 -12.653 4.219 1.00 0.65 H new ATOM 1672 N PRO A 102 17.972 -11.419 7.430 1.00 0.46 N ATOM 1673 CA PRO A 102 16.792 -10.821 8.092 1.00 0.37 C ATOM 1674 C PRO A 102 15.591 -11.244 7.227 1.00 0.36 C ATOM 1675 O PRO A 102 15.113 -10.510 6.393 1.00 0.69 O ATOM 1676 CB PRO A 102 17.062 -9.315 8.019 1.00 0.43 C ATOM 1677 CG PRO A 102 18.061 -9.114 6.858 1.00 0.55 C ATOM 1678 CD PRO A 102 18.801 -10.458 6.682 1.00 0.65 C ATOM 0 HA PRO A 102 16.603 -11.118 9.124 1.00 0.37 H new ATOM 0 HB2 PRO A 102 16.140 -8.762 7.840 1.00 0.43 H new ATOM 0 HB3 PRO A 102 17.477 -8.948 8.958 1.00 0.43 H new ATOM 0 HG2 PRO A 102 17.541 -8.834 5.942 1.00 0.55 H new ATOM 0 HG3 PRO A 102 18.763 -8.311 7.084 1.00 0.55 H new ATOM 0 HD2 PRO A 102 18.883 -10.734 5.631 1.00 0.65 H new ATOM 0 HD3 PRO A 102 19.815 -10.411 7.079 1.00 0.65 H new ATOM 1686 N LEU A 103 15.194 -12.477 7.368 1.00 0.48 N ATOM 1687 CA LEU A 103 14.129 -13.081 6.516 1.00 0.38 C ATOM 1688 C LEU A 103 12.897 -12.198 6.289 1.00 0.25 C ATOM 1689 O LEU A 103 12.329 -12.220 5.218 1.00 0.32 O ATOM 1690 CB LEU A 103 13.712 -14.425 7.133 1.00 0.36 C ATOM 1691 CG LEU A 103 13.057 -14.218 8.506 1.00 1.55 C ATOM 1692 CD1 LEU A 103 11.852 -15.154 8.643 1.00 1.84 C ATOM 1693 CD2 LEU A 103 14.066 -14.544 9.611 1.00 2.83 C ATOM 0 H LEU A 103 15.578 -13.115 8.065 1.00 0.48 H new ATOM 0 HA LEU A 103 14.563 -13.209 5.524 1.00 0.38 H new ATOM 0 HB2 LEU A 103 13.016 -14.935 6.467 1.00 0.36 H new ATOM 0 HB3 LEU A 103 14.585 -15.069 7.236 1.00 0.36 H new ATOM 0 HG LEU A 103 12.734 -13.181 8.596 1.00 1.55 H new ATOM 0 HD11 LEU A 103 11.386 -15.008 9.618 1.00 1.84 H new ATOM 0 HD12 LEU A 103 11.128 -14.933 7.858 1.00 1.84 H new ATOM 0 HD13 LEU A 103 12.183 -16.189 8.551 1.00 1.84 H new ATOM 0 HD21 LEU A 103 13.599 -14.396 10.585 1.00 2.83 H new ATOM 0 HD22 LEU A 103 14.387 -15.581 9.516 1.00 2.83 H new ATOM 0 HD23 LEU A 103 14.931 -13.887 9.520 1.00 2.83 H new ATOM 1705 N LYS A 104 12.436 -11.454 7.240 1.00 0.12 N ATOM 1706 CA LYS A 104 11.203 -10.654 6.955 1.00 0.05 C ATOM 1707 C LYS A 104 11.398 -9.182 7.279 1.00 0.15 C ATOM 1708 O LYS A 104 11.758 -8.812 8.375 1.00 0.20 O ATOM 1709 CB LYS A 104 10.042 -11.178 7.793 1.00 0.11 C ATOM 1710 CG LYS A 104 8.770 -11.198 6.943 1.00 0.95 C ATOM 1711 CD LYS A 104 7.542 -11.222 7.858 1.00 0.81 C ATOM 1712 CE LYS A 104 6.625 -12.383 7.465 1.00 1.07 C ATOM 1713 NZ LYS A 104 6.885 -13.551 8.354 1.00 0.87 N ATOM 0 H LYS A 104 12.834 -11.358 8.174 1.00 0.12 H new ATOM 0 HA LYS A 104 10.990 -10.755 5.891 1.00 0.05 H new ATOM 0 HB2 LYS A 104 10.265 -12.181 8.157 1.00 0.11 H new ATOM 0 HB3 LYS A 104 9.897 -10.546 8.669 1.00 0.11 H new ATOM 0 HG2 LYS A 104 8.738 -10.320 6.297 1.00 0.95 H new ATOM 0 HG3 LYS A 104 8.769 -12.073 6.292 1.00 0.95 H new ATOM 0 HD2 LYS A 104 7.853 -11.328 8.897 1.00 0.81 H new ATOM 0 HD3 LYS A 104 7.002 -10.278 7.782 1.00 0.81 H new ATOM 0 HE2 LYS A 104 5.582 -12.078 7.545 1.00 1.07 H new ATOM 0 HE3 LYS A 104 6.798 -12.660 6.425 1.00 1.07 H new ATOM 0 HZ1 LYS A 104 6.012 -14.106 8.462 1.00 0.87 H new ATOM 0 HZ2 LYS A 104 7.626 -14.148 7.935 1.00 0.87 H new ATOM 0 HZ3 LYS A 104 7.198 -13.214 9.287 1.00 0.87 H new ATOM 1727 N ILE A 105 11.121 -8.334 6.335 1.00 0.21 N ATOM 1728 CA ILE A 105 11.251 -6.871 6.605 1.00 0.28 C ATOM 1729 C ILE A 105 9.865 -6.216 6.509 1.00 0.33 C ATOM 1730 O ILE A 105 9.192 -6.309 5.509 1.00 0.43 O ATOM 1731 CB ILE A 105 12.209 -6.218 5.597 1.00 0.28 C ATOM 1732 CG1 ILE A 105 13.552 -5.925 6.283 1.00 0.47 C ATOM 1733 CG2 ILE A 105 11.611 -4.902 5.093 1.00 0.75 C ATOM 1734 CD1 ILE A 105 14.513 -5.250 5.292 1.00 0.35 C ATOM 0 H ILE A 105 10.813 -8.582 5.395 1.00 0.21 H new ATOM 0 HA ILE A 105 11.658 -6.728 7.606 1.00 0.28 H new ATOM 0 HB ILE A 105 12.361 -6.897 4.758 1.00 0.28 H new ATOM 0 HG12 ILE A 105 13.395 -5.279 7.147 1.00 0.47 H new ATOM 0 HG13 ILE A 105 13.990 -6.852 6.653 1.00 0.47 H new ATOM 0 HG21 ILE A 105 12.294 -4.442 4.378 1.00 0.75 H new ATOM 0 HG22 ILE A 105 10.656 -5.099 4.607 1.00 0.75 H new ATOM 0 HG23 ILE A 105 11.457 -4.226 5.934 1.00 0.75 H new ATOM 0 HD11 ILE A 105 15.462 -5.046 5.787 1.00 0.35 H new ATOM 0 HD12 ILE A 105 14.682 -5.911 4.442 1.00 0.35 H new ATOM 0 HD13 ILE A 105 14.077 -4.314 4.943 1.00 0.35 H new ATOM 1746 N TYR A 106 9.451 -5.537 7.543 1.00 0.46 N ATOM 1747 CA TYR A 106 8.128 -4.845 7.536 1.00 0.51 C ATOM 1748 C TYR A 106 8.408 -3.360 7.719 1.00 0.47 C ATOM 1749 O TYR A 106 9.356 -2.999 8.377 1.00 0.41 O ATOM 1750 CB TYR A 106 7.264 -5.348 8.695 1.00 0.56 C ATOM 1751 CG TYR A 106 6.153 -6.214 8.156 1.00 0.60 C ATOM 1752 CD1 TYR A 106 6.442 -7.226 7.235 1.00 0.84 C ATOM 1753 CD2 TYR A 106 4.835 -6.004 8.577 1.00 0.44 C ATOM 1754 CE1 TYR A 106 5.413 -8.030 6.735 1.00 0.90 C ATOM 1755 CE2 TYR A 106 3.804 -6.808 8.076 1.00 0.51 C ATOM 1756 CZ TYR A 106 4.094 -7.821 7.154 1.00 0.73 C ATOM 1757 OH TYR A 106 3.082 -8.617 6.661 1.00 0.81 O ATOM 0 H TYR A 106 9.982 -5.430 8.408 1.00 0.46 H new ATOM 0 HA TYR A 106 7.595 -5.039 6.605 1.00 0.51 H new ATOM 0 HB2 TYR A 106 7.874 -5.916 9.397 1.00 0.56 H new ATOM 0 HB3 TYR A 106 6.847 -4.504 9.245 1.00 0.56 H new ATOM 0 HD1 TYR A 106 7.459 -7.386 6.910 1.00 0.84 H new ATOM 0 HD2 TYR A 106 4.613 -5.222 9.288 1.00 0.44 H new ATOM 0 HE1 TYR A 106 5.636 -8.813 6.025 1.00 0.90 H new ATOM 0 HE2 TYR A 106 2.786 -6.647 8.400 1.00 0.51 H new ATOM 0 HH TYR A 106 2.228 -8.341 7.054 1.00 0.81 H new ATOM 1767 N PHE A 107 7.644 -2.486 7.127 1.00 0.51 N ATOM 1768 CA PHE A 107 7.985 -1.044 7.285 1.00 0.46 C ATOM 1769 C PHE A 107 6.764 -0.172 7.636 1.00 0.51 C ATOM 1770 O PHE A 107 5.643 -0.464 7.269 1.00 0.59 O ATOM 1771 CB PHE A 107 8.612 -0.567 5.972 1.00 0.47 C ATOM 1772 CG PHE A 107 10.111 -0.573 6.130 1.00 0.34 C ATOM 1773 CD1 PHE A 107 10.823 -1.772 6.010 1.00 0.22 C ATOM 1774 CD2 PHE A 107 10.786 0.617 6.412 1.00 0.36 C ATOM 1775 CE1 PHE A 107 12.213 -1.780 6.169 1.00 0.12 C ATOM 1776 CE2 PHE A 107 12.179 0.610 6.570 1.00 0.30 C ATOM 1777 CZ PHE A 107 12.891 -0.589 6.450 1.00 0.20 C ATOM 0 H PHE A 107 6.824 -2.696 6.558 1.00 0.51 H new ATOM 0 HA PHE A 107 8.679 -0.942 8.119 1.00 0.46 H new ATOM 0 HB2 PHE A 107 8.315 -1.219 5.151 1.00 0.47 H new ATOM 0 HB3 PHE A 107 8.261 0.435 5.726 1.00 0.47 H new ATOM 0 HD1 PHE A 107 10.299 -2.692 5.795 1.00 0.22 H new ATOM 0 HD2 PHE A 107 10.236 1.541 6.508 1.00 0.36 H new ATOM 0 HE1 PHE A 107 12.762 -2.705 6.075 1.00 0.12 H new ATOM 0 HE2 PHE A 107 12.703 1.530 6.784 1.00 0.30 H new ATOM 0 HZ PHE A 107 13.964 -0.595 6.574 1.00 0.20 H new ATOM 1787 N ASN A 108 7.003 0.919 8.333 1.00 0.47 N ATOM 1788 CA ASN A 108 5.900 1.863 8.711 1.00 0.52 C ATOM 1789 C ASN A 108 6.477 3.285 8.759 1.00 0.51 C ATOM 1790 O ASN A 108 7.612 3.479 9.133 1.00 0.43 O ATOM 1791 CB ASN A 108 5.343 1.493 10.085 1.00 0.51 C ATOM 1792 CG ASN A 108 4.091 0.632 9.916 1.00 0.57 C ATOM 1793 OD1 ASN A 108 3.164 1.014 9.228 1.00 0.64 O ATOM 1794 ND2 ASN A 108 4.024 -0.525 10.515 1.00 0.56 N ATOM 0 H ASN A 108 7.929 1.197 8.659 1.00 0.47 H new ATOM 0 HA ASN A 108 5.095 1.804 7.979 1.00 0.52 H new ATOM 0 HB2 ASN A 108 6.094 0.951 10.659 1.00 0.51 H new ATOM 0 HB3 ASN A 108 5.103 2.396 10.646 1.00 0.51 H new ATOM 0 HD21 ASN A 108 3.194 -1.108 10.406 1.00 0.56 H new ATOM 0 HD22 ASN A 108 4.801 -0.846 11.092 1.00 0.56 H new ATOM 1801 N GLU A 109 5.713 4.281 8.376 1.00 0.60 N ATOM 1802 CA GLU A 109 6.248 5.685 8.367 1.00 0.62 C ATOM 1803 C GLU A 109 6.640 6.160 9.768 1.00 0.56 C ATOM 1804 O GLU A 109 7.166 7.243 9.932 1.00 0.57 O ATOM 1805 CB GLU A 109 5.189 6.631 7.800 1.00 0.75 C ATOM 1806 CG GLU A 109 4.028 6.775 8.789 1.00 1.83 C ATOM 1807 CD GLU A 109 2.863 5.891 8.342 1.00 2.98 C ATOM 1808 OE1 GLU A 109 2.154 6.294 7.434 1.00 3.44 O ATOM 1809 OE2 GLU A 109 2.699 4.828 8.916 1.00 3.89 O ATOM 0 H GLU A 109 4.745 4.185 8.070 1.00 0.60 H new ATOM 0 HA GLU A 109 7.143 5.691 7.745 1.00 0.62 H new ATOM 0 HB2 GLU A 109 5.631 7.607 7.602 1.00 0.75 H new ATOM 0 HB3 GLU A 109 4.821 6.248 6.848 1.00 0.75 H new ATOM 0 HG2 GLU A 109 4.352 6.489 9.790 1.00 1.83 H new ATOM 0 HG3 GLU A 109 3.709 7.816 8.842 1.00 1.83 H new ATOM 1816 N ARG A 110 6.411 5.374 10.773 1.00 0.52 N ATOM 1817 CA ARG A 110 6.798 5.803 12.143 1.00 0.46 C ATOM 1818 C ARG A 110 8.269 5.447 12.386 1.00 0.37 C ATOM 1819 O ARG A 110 8.721 5.385 13.512 1.00 0.31 O ATOM 1820 CB ARG A 110 5.919 5.076 13.165 1.00 0.45 C ATOM 1821 CG ARG A 110 6.362 5.443 14.581 1.00 1.52 C ATOM 1822 CD ARG A 110 5.137 5.506 15.493 1.00 1.49 C ATOM 1823 NE ARG A 110 4.873 4.156 16.066 1.00 1.25 N ATOM 1824 CZ ARG A 110 5.235 3.884 17.291 1.00 1.46 C ATOM 1825 NH1 ARG A 110 4.734 4.563 18.286 1.00 1.48 N ATOM 1826 NH2 ARG A 110 6.099 2.934 17.520 1.00 2.23 N ATOM 0 H ARG A 110 5.974 4.455 10.709 1.00 0.52 H new ATOM 0 HA ARG A 110 6.662 6.880 12.246 1.00 0.46 H new ATOM 0 HB2 ARG A 110 4.874 5.348 13.019 1.00 0.45 H new ATOM 0 HB3 ARG A 110 5.991 3.998 13.019 1.00 0.45 H new ATOM 0 HG2 ARG A 110 7.071 4.705 14.956 1.00 1.52 H new ATOM 0 HG3 ARG A 110 6.876 6.404 14.576 1.00 1.52 H new ATOM 0 HD2 ARG A 110 5.304 6.226 16.294 1.00 1.49 H new ATOM 0 HD3 ARG A 110 4.269 5.850 14.930 1.00 1.49 H new ATOM 0 HE ARG A 110 4.409 3.444 15.501 1.00 1.25 H new ATOM 0 HH11 ARG A 110 4.059 5.307 18.107 1.00 1.48 H new ATOM 0 HH12 ARG A 110 5.017 4.350 19.243 1.00 1.48 H new ATOM 0 HH21 ARG A 110 6.492 2.404 16.742 1.00 2.23 H new ATOM 0 HH22 ARG A 110 6.382 2.722 18.477 1.00 2.23 H new ATOM 1840 N GLY A 111 9.020 5.189 11.343 1.00 0.36 N ATOM 1841 CA GLY A 111 10.447 4.810 11.545 1.00 0.28 C ATOM 1842 C GLY A 111 10.464 3.501 12.305 1.00 0.18 C ATOM 1843 O GLY A 111 11.374 3.206 13.054 1.00 0.12 O ATOM 0 H GLY A 111 8.708 5.225 10.372 1.00 0.36 H new ATOM 0 HA2 GLY A 111 10.955 4.704 10.587 1.00 0.28 H new ATOM 0 HA3 GLY A 111 10.975 5.584 12.102 1.00 0.28 H new ATOM 1847 N TYR A 112 9.452 2.706 12.107 1.00 0.21 N ATOM 1848 CA TYR A 112 9.391 1.403 12.798 1.00 0.21 C ATOM 1849 C TYR A 112 9.211 0.306 11.759 1.00 0.25 C ATOM 1850 O TYR A 112 8.162 0.147 11.166 1.00 0.37 O ATOM 1851 CB TYR A 112 8.222 1.387 13.784 1.00 0.28 C ATOM 1852 CG TYR A 112 8.729 0.935 15.132 1.00 0.20 C ATOM 1853 CD1 TYR A 112 9.524 1.792 15.901 1.00 0.17 C ATOM 1854 CD2 TYR A 112 8.416 -0.344 15.608 1.00 0.41 C ATOM 1855 CE1 TYR A 112 10.004 1.372 17.147 1.00 0.37 C ATOM 1856 CE2 TYR A 112 8.897 -0.766 16.853 1.00 0.50 C ATOM 1857 CZ TYR A 112 9.692 0.093 17.623 1.00 0.48 C ATOM 1858 OH TYR A 112 10.168 -0.323 18.849 1.00 0.67 O ATOM 0 H TYR A 112 8.664 2.909 11.492 1.00 0.21 H new ATOM 0 HA TYR A 112 10.314 1.237 13.353 1.00 0.21 H new ATOM 0 HB2 TYR A 112 7.779 2.380 13.861 1.00 0.28 H new ATOM 0 HB3 TYR A 112 7.439 0.716 13.431 1.00 0.28 H new ATOM 0 HD1 TYR A 112 9.767 2.778 15.533 1.00 0.17 H new ATOM 0 HD2 TYR A 112 7.803 -1.006 15.014 1.00 0.41 H new ATOM 0 HE1 TYR A 112 10.615 2.035 17.741 1.00 0.37 H new ATOM 0 HE2 TYR A 112 8.656 -1.753 17.220 1.00 0.50 H new ATOM 0 HH TYR A 112 9.858 -1.235 19.028 1.00 0.67 H new ATOM 1868 N ALA A 113 10.239 -0.452 11.553 1.00 0.20 N ATOM 1869 CA ALA A 113 10.195 -1.565 10.573 1.00 0.24 C ATOM 1870 C ALA A 113 10.504 -2.840 11.340 1.00 0.36 C ATOM 1871 O ALA A 113 11.379 -2.858 12.182 1.00 0.39 O ATOM 1872 CB ALA A 113 11.251 -1.337 9.489 1.00 0.11 C ATOM 0 H ALA A 113 11.132 -0.346 12.034 1.00 0.20 H new ATOM 0 HA ALA A 113 9.220 -1.629 10.090 1.00 0.24 H new ATOM 0 HB1 ALA A 113 11.217 -2.156 8.770 1.00 0.11 H new ATOM 0 HB2 ALA A 113 11.050 -0.396 8.977 1.00 0.11 H new ATOM 0 HB3 ALA A 113 12.239 -1.297 9.947 1.00 0.11 H new ATOM 1878 N LYS A 114 9.798 -3.899 11.099 1.00 0.48 N ATOM 1879 CA LYS A 114 10.098 -5.126 11.888 1.00 0.63 C ATOM 1880 C LYS A 114 10.971 -6.066 11.066 1.00 0.58 C ATOM 1881 O LYS A 114 10.694 -6.358 9.927 1.00 0.51 O ATOM 1882 CB LYS A 114 8.788 -5.840 12.231 1.00 0.82 C ATOM 1883 CG LYS A 114 8.384 -5.514 13.669 1.00 0.55 C ATOM 1884 CD LYS A 114 9.026 -6.524 14.620 1.00 0.72 C ATOM 1885 CE LYS A 114 9.532 -5.798 15.867 1.00 2.51 C ATOM 1886 NZ LYS A 114 10.835 -5.141 15.562 1.00 4.08 N ATOM 0 H LYS A 114 9.047 -3.975 10.413 1.00 0.48 H new ATOM 0 HA LYS A 114 10.622 -4.845 12.802 1.00 0.63 H new ATOM 0 HB2 LYS A 114 8.002 -5.529 11.543 1.00 0.82 H new ATOM 0 HB3 LYS A 114 8.908 -6.917 12.112 1.00 0.82 H new ATOM 0 HG2 LYS A 114 8.701 -4.503 13.927 1.00 0.55 H new ATOM 0 HG3 LYS A 114 7.299 -5.543 13.769 1.00 0.55 H new ATOM 0 HD2 LYS A 114 8.301 -7.288 14.900 1.00 0.72 H new ATOM 0 HD3 LYS A 114 9.851 -7.034 14.123 1.00 0.72 H new ATOM 0 HE2 LYS A 114 8.803 -5.054 16.189 1.00 2.51 H new ATOM 0 HE3 LYS A 114 9.651 -6.504 16.689 1.00 2.51 H new ATOM 0 HZ1 LYS A 114 11.263 -4.793 16.444 1.00 4.08 H new ATOM 0 HZ2 LYS A 114 11.474 -5.829 15.115 1.00 4.08 H new ATOM 0 HZ3 LYS A 114 10.678 -4.343 14.914 1.00 4.08 H new ATOM 1900 N VAL A 115 12.028 -6.552 11.646 1.00 0.65 N ATOM 1901 CA VAL A 115 12.918 -7.472 10.892 1.00 0.62 C ATOM 1902 C VAL A 115 13.019 -8.823 11.601 1.00 0.69 C ATOM 1903 O VAL A 115 13.249 -8.898 12.792 1.00 0.84 O ATOM 1904 CB VAL A 115 14.310 -6.851 10.784 1.00 0.60 C ATOM 1905 CG1 VAL A 115 15.281 -7.881 10.204 1.00 0.62 C ATOM 1906 CG2 VAL A 115 14.252 -5.629 9.866 1.00 0.54 C ATOM 0 H VAL A 115 12.314 -6.354 12.605 1.00 0.65 H new ATOM 0 HA VAL A 115 12.501 -7.629 9.897 1.00 0.62 H new ATOM 0 HB VAL A 115 14.652 -6.545 11.773 1.00 0.60 H new ATOM 0 HG11 VAL A 115 16.275 -7.440 10.126 1.00 0.62 H new ATOM 0 HG12 VAL A 115 15.321 -8.752 10.858 1.00 0.62 H new ATOM 0 HG13 VAL A 115 14.940 -8.185 9.214 1.00 0.62 H new ATOM 0 HG21 VAL A 115 15.244 -5.185 9.788 1.00 0.54 H new ATOM 0 HG22 VAL A 115 13.912 -5.933 8.876 1.00 0.54 H new ATOM 0 HG23 VAL A 115 13.558 -4.897 10.279 1.00 0.54 H new ATOM 1916 N LEU A 116 12.876 -9.891 10.865 1.00 0.55 N ATOM 1917 CA LEU A 116 12.991 -11.243 11.471 1.00 0.59 C ATOM 1918 C LEU A 116 14.227 -11.914 10.880 1.00 0.54 C ATOM 1919 O LEU A 116 14.385 -11.996 9.678 1.00 0.49 O ATOM 1920 CB LEU A 116 11.744 -12.069 11.153 1.00 0.57 C ATOM 1921 CG LEU A 116 11.345 -12.878 12.389 1.00 0.60 C ATOM 1922 CD1 LEU A 116 10.923 -11.926 13.508 1.00 1.06 C ATOM 1923 CD2 LEU A 116 10.176 -13.801 12.040 1.00 2.05 C ATOM 0 H LEU A 116 12.683 -9.882 9.863 1.00 0.55 H new ATOM 0 HA LEU A 116 13.080 -11.167 12.555 1.00 0.59 H new ATOM 0 HB2 LEU A 116 10.926 -11.414 10.854 1.00 0.57 H new ATOM 0 HB3 LEU A 116 11.940 -12.737 10.315 1.00 0.57 H new ATOM 0 HG LEU A 116 12.194 -13.475 12.720 1.00 0.60 H new ATOM 0 HD11 LEU A 116 10.639 -12.503 14.388 1.00 1.06 H new ATOM 0 HD12 LEU A 116 11.755 -11.267 13.758 1.00 1.06 H new ATOM 0 HD13 LEU A 116 10.074 -11.328 13.176 1.00 1.06 H new ATOM 0 HD21 LEU A 116 9.892 -14.377 12.921 1.00 2.05 H new ATOM 0 HD22 LEU A 116 9.327 -13.203 11.708 1.00 2.05 H new ATOM 0 HD23 LEU A 116 10.475 -14.481 11.242 1.00 2.05 H new ATOM 1935 N LEU A 117 15.120 -12.362 11.710 1.00 0.55 N ATOM 1936 CA LEU A 117 16.367 -12.991 11.196 1.00 0.51 C ATOM 1937 C LEU A 117 16.313 -14.490 11.388 1.00 0.44 C ATOM 1938 O LEU A 117 16.007 -14.990 12.452 1.00 0.47 O ATOM 1939 CB LEU A 117 17.541 -12.389 11.970 1.00 0.70 C ATOM 1940 CG LEU A 117 18.936 -12.855 11.469 1.00 0.63 C ATOM 1941 CD1 LEU A 117 19.053 -14.380 11.438 1.00 0.85 C ATOM 1942 CD2 LEU A 117 19.230 -12.293 10.072 1.00 0.31 C ATOM 0 H LEU A 117 15.042 -12.321 12.726 1.00 0.55 H new ATOM 0 HA LEU A 117 16.483 -12.800 10.129 1.00 0.51 H new ATOM 0 HB2 LEU A 117 17.487 -11.302 11.904 1.00 0.70 H new ATOM 0 HB3 LEU A 117 17.440 -12.649 13.024 1.00 0.70 H new ATOM 0 HG LEU A 117 19.669 -12.470 12.178 1.00 0.63 H new ATOM 0 HD11 LEU A 117 20.044 -14.662 11.082 1.00 0.85 H new ATOM 0 HD12 LEU A 117 18.902 -14.777 12.442 1.00 0.85 H new ATOM 0 HD13 LEU A 117 18.297 -14.789 10.768 1.00 0.85 H new ATOM 0 HD21 LEU A 117 20.212 -12.633 9.742 1.00 0.31 H new ATOM 0 HD22 LEU A 117 18.471 -12.643 9.372 1.00 0.31 H new ATOM 0 HD23 LEU A 117 19.216 -11.204 10.108 1.00 0.31 H new ATOM 1954 N GLY A 118 16.646 -15.209 10.366 1.00 0.49 N ATOM 1955 CA GLY A 118 16.662 -16.670 10.478 1.00 0.46 C ATOM 1956 C GLY A 118 17.981 -17.187 9.917 1.00 0.32 C ATOM 1957 O GLY A 118 18.228 -17.150 8.728 1.00 0.43 O ATOM 0 H GLY A 118 16.909 -14.839 9.453 1.00 0.49 H new ATOM 0 HA2 GLY A 118 16.550 -16.971 11.520 1.00 0.46 H new ATOM 0 HA3 GLY A 118 15.824 -17.100 9.930 1.00 0.46 H new ATOM 1961 N LEU A 119 18.807 -17.709 10.770 1.00 0.23 N ATOM 1962 CA LEU A 119 20.095 -18.283 10.319 1.00 0.29 C ATOM 1963 C LEU A 119 19.791 -19.709 9.943 1.00 0.25 C ATOM 1964 O LEU A 119 19.124 -20.413 10.667 1.00 0.28 O ATOM 1965 CB LEU A 119 21.124 -18.234 11.450 1.00 0.50 C ATOM 1966 CG LEU A 119 21.641 -19.651 11.786 1.00 0.43 C ATOM 1967 CD1 LEU A 119 22.398 -20.264 10.603 1.00 0.24 C ATOM 1968 CD2 LEU A 119 22.588 -19.562 12.980 1.00 0.55 C ATOM 0 H LEU A 119 18.642 -17.763 11.775 1.00 0.23 H new ATOM 0 HA LEU A 119 20.516 -17.727 9.481 1.00 0.29 H new ATOM 0 HB2 LEU A 119 21.959 -17.597 11.160 1.00 0.50 H new ATOM 0 HB3 LEU A 119 20.675 -17.786 12.337 1.00 0.50 H new ATOM 0 HG LEU A 119 20.783 -20.284 12.014 1.00 0.43 H new ATOM 0 HD11 LEU A 119 22.748 -21.260 10.872 1.00 0.24 H new ATOM 0 HD12 LEU A 119 21.733 -20.333 9.742 1.00 0.24 H new ATOM 0 HD13 LEU A 119 23.252 -19.635 10.352 1.00 0.24 H new ATOM 0 HD21 LEU A 119 22.959 -20.557 13.225 1.00 0.55 H new ATOM 0 HD22 LEU A 119 23.428 -18.913 12.731 1.00 0.55 H new ATOM 0 HD23 LEU A 119 22.055 -19.152 13.838 1.00 0.55 H new ATOM 1980 N ALA A 120 20.224 -20.140 8.813 1.00 0.23 N ATOM 1981 CA ALA A 120 19.884 -21.515 8.410 1.00 0.24 C ATOM 1982 C ALA A 120 21.126 -22.366 8.348 1.00 0.27 C ATOM 1983 O ALA A 120 22.126 -21.983 7.778 1.00 0.28 O ATOM 1984 CB ALA A 120 19.242 -21.474 7.034 1.00 0.22 C ATOM 0 H ALA A 120 20.793 -19.609 8.154 1.00 0.23 H new ATOM 0 HA ALA A 120 19.198 -21.944 9.140 1.00 0.24 H new ATOM 0 HB1 ALA A 120 18.985 -22.486 6.722 1.00 0.22 H new ATOM 0 HB2 ALA A 120 18.339 -20.865 7.072 1.00 0.22 H new ATOM 0 HB3 ALA A 120 19.941 -21.041 6.319 1.00 0.22 H new ATOM 1990 N ARG A 121 21.066 -23.537 8.890 1.00 0.31 N ATOM 1991 CA ARG A 121 22.247 -24.406 8.798 1.00 0.38 C ATOM 1992 C ARG A 121 22.007 -25.337 7.610 1.00 0.38 C ATOM 1993 O ARG A 121 21.158 -26.192 7.646 1.00 0.36 O ATOM 1994 CB ARG A 121 22.410 -25.190 10.100 1.00 0.48 C ATOM 1995 CG ARG A 121 21.037 -25.448 10.723 1.00 0.49 C ATOM 1996 CD ARG A 121 21.172 -26.482 11.845 1.00 0.64 C ATOM 1997 NE ARG A 121 20.906 -27.843 11.298 1.00 0.74 N ATOM 1998 CZ ARG A 121 20.353 -28.754 12.052 1.00 0.60 C ATOM 1999 NH1 ARG A 121 20.627 -28.802 13.327 1.00 0.45 N ATOM 2000 NH2 ARG A 121 19.528 -29.620 11.529 1.00 0.71 N ATOM 0 H ARG A 121 20.262 -23.924 9.385 1.00 0.31 H new ATOM 0 HA ARG A 121 23.164 -23.836 8.651 1.00 0.38 H new ATOM 0 HB2 ARG A 121 22.915 -26.136 9.905 1.00 0.48 H new ATOM 0 HB3 ARG A 121 23.036 -24.632 10.796 1.00 0.48 H new ATOM 0 HG2 ARG A 121 20.624 -24.519 11.117 1.00 0.49 H new ATOM 0 HG3 ARG A 121 20.343 -25.808 9.964 1.00 0.49 H new ATOM 0 HD2 ARG A 121 22.173 -26.440 12.275 1.00 0.64 H new ATOM 0 HD3 ARG A 121 20.470 -26.257 12.648 1.00 0.64 H new ATOM 0 HE ARG A 121 21.156 -28.063 10.334 1.00 0.74 H new ATOM 0 HH11 ARG A 121 21.274 -28.127 13.735 1.00 0.45 H new ATOM 0 HH12 ARG A 121 20.194 -29.514 13.915 1.00 0.45 H new ATOM 0 HH21 ARG A 121 19.316 -29.585 10.532 1.00 0.71 H new ATOM 0 HH22 ARG A 121 19.096 -30.332 12.117 1.00 0.71 H new ATOM 2014 N GLY A 122 22.731 -25.173 6.543 1.00 0.40 N ATOM 2015 CA GLY A 122 22.482 -26.047 5.355 1.00 0.42 C ATOM 2016 C GLY A 122 22.633 -27.517 5.742 1.00 0.42 C ATOM 2017 O GLY A 122 22.128 -28.397 5.074 1.00 0.56 O ATOM 0 H GLY A 122 23.475 -24.484 6.436 1.00 0.40 H new ATOM 0 HA2 GLY A 122 21.480 -25.867 4.965 1.00 0.42 H new ATOM 0 HA3 GLY A 122 23.183 -25.799 4.558 1.00 0.42 H new