USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 87 LYS NZ :NH3+ 148:sc= 0.851 (180deg=-0.653) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.853 K(o=1.7,f=-5.5) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot -173:sc= 0.0662 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.522 K(o=0.52,f=-3.2!) USER MOD Single : A 20 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-3.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.048) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -14:sc= 0.594 USER MOD Single : A 40 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.8!) USER MOD Single : A 41 SER OG : rot -164:sc= 0.292 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.166 (180deg=-0.308) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.0678 (180deg=-0.449) USER MOD Single : A 53 SER OG : rot -44:sc= 0.541 USER MOD Single : A 54 ASN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00485 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 142:sc= 0.714 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 74 MET CE :methyl 150:sc= -0.211 (180deg=-2.28!) USER MOD Single : A 75 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-4.3) USER MOD Single : A 76 SER OG : rot -169:sc= 0.449 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 79 HIS : no HE2:sc= 0.193 K(o=0.19,f=-3.3!) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.22 (180deg=-0.442) USER MOD Single : A 86 GLN : amide:sc= -0.328 K(o=-0.33,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -168:sc= -0.774 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0.261 K(o=0.26,f=0.78) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.138 K(o=0.14,f=-4.3!) USER MOD Single : A 106 SER OG : rot 45:sc= 0.469 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.300 11.297 4.799 1.00 14.24 N ATOM 2 CA GLY A 1 -17.037 10.811 5.363 1.00 13.69 C ATOM 3 C GLY A 1 -16.251 12.009 5.850 1.00 13.32 C ATOM 4 O GLY A 1 -16.788 12.787 6.634 1.00 13.84 O ATOM 0 H1 GLY A 1 -19.049 10.596 4.970 1.00 14.24 H new ATOM 0 H2 GLY A 1 -18.559 12.197 5.251 1.00 14.24 H new ATOM 0 H3 GLY A 1 -18.189 11.443 3.775 1.00 14.24 H new ATOM 0 HA2 GLY A 1 -17.227 10.120 6.185 1.00 13.69 H new ATOM 0 HA3 GLY A 1 -16.470 10.263 4.611 1.00 13.69 H new ATOM 10 N SER A 2 -15.027 12.172 5.357 1.00 12.71 N ATOM 11 CA SER A 2 -14.141 13.269 5.708 1.00 12.49 C ATOM 12 C SER A 2 -14.712 14.608 5.216 1.00 12.91 C ATOM 13 O SER A 2 -15.637 14.629 4.400 1.00 13.38 O ATOM 14 CB SER A 2 -12.761 12.936 5.111 1.00 11.82 C ATOM 15 OG SER A 2 -12.530 11.540 5.275 1.00 11.89 O ATOM 0 H SER A 2 -14.616 11.525 4.684 1.00 12.71 H new ATOM 0 HA SER A 2 -14.044 13.382 6.788 1.00 12.49 H new ATOM 0 HB2 SER A 2 -12.729 13.205 4.055 1.00 11.82 H new ATOM 0 HB3 SER A 2 -11.982 13.511 5.611 1.00 11.82 H new ATOM 0 HG SER A 2 -11.613 11.326 5.003 1.00 11.89 H new ATOM 21 N LYS A 3 -14.199 15.734 5.728 1.00 12.97 N ATOM 22 CA LYS A 3 -14.626 17.061 5.295 1.00 13.48 C ATOM 23 C LYS A 3 -13.547 18.070 5.669 1.00 13.11 C ATOM 24 O LYS A 3 -12.885 17.895 6.687 1.00 13.00 O ATOM 25 CB LYS A 3 -15.972 17.417 5.954 1.00 14.90 C ATOM 26 CG LYS A 3 -16.945 17.983 4.911 1.00 15.60 C ATOM 27 CD LYS A 3 -18.403 17.865 5.363 1.00 16.98 C ATOM 28 CE LYS A 3 -18.803 16.387 5.451 1.00 17.08 C ATOM 29 NZ LYS A 3 -20.267 16.206 5.353 1.00 18.24 N ATOM 0 H LYS A 3 -13.479 15.746 6.451 1.00 12.97 H new ATOM 0 HA LYS A 3 -14.767 17.079 4.214 1.00 13.48 H new ATOM 0 HB2 LYS A 3 -16.403 16.530 6.419 1.00 14.90 H new ATOM 0 HB3 LYS A 3 -15.814 18.148 6.747 1.00 14.90 H new ATOM 0 HG2 LYS A 3 -16.707 19.030 4.724 1.00 15.60 H new ATOM 0 HG3 LYS A 3 -16.814 17.453 3.968 1.00 15.60 H new ATOM 0 HD2 LYS A 3 -18.532 18.344 6.333 1.00 16.98 H new ATOM 0 HD3 LYS A 3 -19.054 18.386 4.661 1.00 16.98 H new ATOM 0 HE2 LYS A 3 -18.314 15.830 4.652 1.00 17.08 H new ATOM 0 HE3 LYS A 3 -18.448 15.970 6.393 1.00 17.08 H new ATOM 0 HZ1 LYS A 3 -20.497 15.194 5.417 1.00 18.24 H new ATOM 0 HZ2 LYS A 3 -20.733 16.716 6.130 1.00 18.24 H new ATOM 0 HZ3 LYS A 3 -20.603 16.581 4.443 1.00 18.24 H new ATOM 43 N GLY A 4 -13.380 19.115 4.859 1.00 13.13 N ATOM 44 CA GLY A 4 -12.330 20.107 5.013 1.00 12.80 C ATOM 45 C GLY A 4 -12.074 20.760 3.665 1.00 12.13 C ATOM 46 O GLY A 4 -12.807 20.503 2.709 1.00 12.18 O ATOM 0 H GLY A 4 -13.988 19.295 4.060 1.00 13.13 H new ATOM 0 HA2 GLY A 4 -12.624 20.858 5.747 1.00 12.80 H new ATOM 0 HA3 GLY A 4 -11.419 19.638 5.385 1.00 12.80 H new ATOM 50 N VAL A 5 -11.035 21.588 3.585 1.00 11.74 N ATOM 51 CA VAL A 5 -10.418 21.940 2.328 1.00 11.05 C ATOM 52 C VAL A 5 -9.190 21.045 2.168 1.00 9.36 C ATOM 53 O VAL A 5 -9.104 20.010 2.823 1.00 8.90 O ATOM 54 CB VAL A 5 -10.081 23.434 2.331 1.00 11.73 C ATOM 55 CG1 VAL A 5 -11.362 24.272 2.366 1.00 13.40 C ATOM 56 CG2 VAL A 5 -9.171 23.857 3.492 1.00 11.67 C ATOM 0 H VAL A 5 -10.603 22.030 4.397 1.00 11.74 H new ATOM 0 HA VAL A 5 -11.079 21.778 1.477 1.00 11.05 H new ATOM 0 HB VAL A 5 -9.530 23.615 1.408 1.00 11.73 H new ATOM 0 HG11 VAL A 5 -11.104 25.331 2.368 1.00 13.40 H new ATOM 0 HG12 VAL A 5 -11.968 24.047 1.488 1.00 13.40 H new ATOM 0 HG13 VAL A 5 -11.927 24.035 3.267 1.00 13.40 H new ATOM 0 HG21 VAL A 5 -8.975 24.927 3.429 1.00 11.67 H new ATOM 0 HG22 VAL A 5 -9.662 23.633 4.439 1.00 11.67 H new ATOM 0 HG23 VAL A 5 -8.229 23.312 3.433 1.00 11.67 H new ATOM 66 N GLU A 6 -8.224 21.440 1.340 1.00 8.62 N ATOM 67 CA GLU A 6 -6.989 20.705 1.170 1.00 7.09 C ATOM 68 C GLU A 6 -5.864 21.337 1.987 1.00 6.62 C ATOM 69 O GLU A 6 -5.501 22.494 1.803 1.00 7.19 O ATOM 70 CB GLU A 6 -6.658 20.623 -0.326 1.00 7.01 C ATOM 71 CG GLU A 6 -6.722 21.968 -1.072 1.00 8.06 C ATOM 72 CD GLU A 6 -6.065 21.875 -2.450 1.00 8.28 C ATOM 73 OE1 GLU A 6 -4.819 21.982 -2.497 1.00 7.94 O ATOM 74 OE2 GLU A 6 -6.817 21.712 -3.436 1.00 9.27 O ATOM 0 H GLU A 6 -8.284 22.283 0.770 1.00 8.62 H new ATOM 0 HA GLU A 6 -7.105 19.689 1.547 1.00 7.09 H new ATOM 0 HB2 GLU A 6 -5.657 20.206 -0.441 1.00 7.01 H new ATOM 0 HB3 GLU A 6 -7.350 19.927 -0.800 1.00 7.01 H new ATOM 0 HG2 GLU A 6 -7.762 22.275 -1.183 1.00 8.06 H new ATOM 0 HG3 GLU A 6 -6.224 22.737 -0.481 1.00 8.06 H new ATOM 81 N LEU A 7 -5.298 20.559 2.913 1.00 5.96 N ATOM 82 CA LEU A 7 -4.230 20.990 3.799 1.00 5.97 C ATOM 83 C LEU A 7 -2.940 20.246 3.460 1.00 4.53 C ATOM 84 O LEU A 7 -2.124 19.999 4.344 1.00 4.92 O ATOM 85 CB LEU A 7 -4.612 20.715 5.264 1.00 7.39 C ATOM 86 CG LEU A 7 -5.940 21.306 5.759 1.00 8.58 C ATOM 87 CD1 LEU A 7 -6.075 22.785 5.401 1.00 9.18 C ATOM 88 CD2 LEU A 7 -7.176 20.539 5.302 1.00 8.64 C ATOM 0 H LEU A 7 -5.581 19.591 3.066 1.00 5.96 H new ATOM 0 HA LEU A 7 -4.076 22.061 3.665 1.00 5.97 H new ATOM 0 HB2 LEU A 7 -4.647 19.635 5.408 1.00 7.39 H new ATOM 0 HB3 LEU A 7 -3.813 21.096 5.900 1.00 7.39 H new ATOM 0 HG LEU A 7 -5.897 21.204 6.843 1.00 8.58 H new ATOM 0 HD11 LEU A 7 -7.029 23.163 5.770 1.00 9.18 H new ATOM 0 HD12 LEU A 7 -5.261 23.346 5.859 1.00 9.18 H new ATOM 0 HD13 LEU A 7 -6.032 22.903 4.318 1.00 9.18 H new ATOM 0 HD21 LEU A 7 -8.070 21.023 5.695 1.00 8.64 H new ATOM 0 HD22 LEU A 7 -7.217 20.531 4.213 1.00 8.64 H new ATOM 0 HD23 LEU A 7 -7.126 19.515 5.671 1.00 8.64 H new ATOM 100 N ARG A 8 -2.754 19.872 2.190 1.00 3.28 N ATOM 101 CA ARG A 8 -1.667 19.015 1.710 1.00 2.21 C ATOM 102 C ARG A 8 -1.836 17.589 2.232 1.00 1.72 C ATOM 103 O ARG A 8 -2.190 16.699 1.462 1.00 1.45 O ATOM 104 CB ARG A 8 -0.278 19.626 1.985 1.00 3.03 C ATOM 105 CG ARG A 8 -0.267 21.145 1.753 1.00 3.73 C ATOM 106 CD ARG A 8 1.158 21.708 1.657 1.00 4.71 C ATOM 107 NE ARG A 8 1.431 22.255 0.318 1.00 5.21 N ATOM 108 CZ ARG A 8 0.934 23.404 -0.164 1.00 6.15 C ATOM 109 NH1 ARG A 8 0.175 24.184 0.607 1.00 6.70 N ATOM 110 NH2 ARG A 8 1.192 23.768 -1.421 1.00 7.02 N ATOM 0 H ARG A 8 -3.380 20.169 1.441 1.00 3.28 H new ATOM 0 HA ARG A 8 -1.729 18.954 0.623 1.00 2.21 H new ATOM 0 HB2 ARG A 8 0.016 19.413 3.013 1.00 3.03 H new ATOM 0 HB3 ARG A 8 0.461 19.154 1.338 1.00 3.03 H new ATOM 0 HG2 ARG A 8 -0.809 21.374 0.835 1.00 3.73 H new ATOM 0 HG3 ARG A 8 -0.797 21.639 2.568 1.00 3.73 H new ATOM 0 HD2 ARG A 8 1.293 22.489 2.405 1.00 4.71 H new ATOM 0 HD3 ARG A 8 1.878 20.921 1.884 1.00 4.71 H new ATOM 0 HE ARG A 8 2.047 21.718 -0.292 1.00 5.21 H new ATOM 0 HH11 ARG A 8 -0.030 23.908 1.567 1.00 6.70 H new ATOM 0 HH12 ARG A 8 -0.201 25.057 0.236 1.00 6.70 H new ATOM 0 HH21 ARG A 8 1.768 23.173 -2.016 1.00 7.02 H new ATOM 0 HH22 ARG A 8 0.814 24.642 -1.787 1.00 7.02 H new ATOM 124 N ASN A 9 -1.671 17.385 3.538 1.00 1.68 N ATOM 125 CA ASN A 9 -1.952 16.130 4.222 1.00 1.45 C ATOM 126 C ASN A 9 -3.324 15.581 3.899 1.00 1.21 C ATOM 127 O ASN A 9 -3.490 14.370 3.890 1.00 1.08 O ATOM 128 CB ASN A 9 -1.852 16.319 5.740 1.00 1.71 C ATOM 129 CG ASN A 9 -0.440 16.042 6.233 1.00 1.94 C ATOM 130 OD1 ASN A 9 0.481 16.783 5.919 1.00 2.49 O ATOM 131 ND2 ASN A 9 -0.243 14.980 7.003 1.00 2.39 N ATOM 0 H ASN A 9 -1.328 18.112 4.166 1.00 1.68 H new ATOM 0 HA ASN A 9 -1.207 15.416 3.870 1.00 1.45 H new ATOM 0 HB2 ASN A 9 -2.139 17.337 6.003 1.00 1.71 H new ATOM 0 HB3 ASN A 9 -2.553 15.651 6.240 1.00 1.71 H new ATOM 0 HD21 ASN A 9 0.693 14.766 7.347 1.00 2.39 H new ATOM 0 HD22 ASN A 9 -1.028 14.377 7.251 1.00 2.39 H new ATOM 138 N ASP A 10 -4.320 16.435 3.688 1.00 1.25 N ATOM 139 CA ASP A 10 -5.638 15.938 3.333 1.00 1.15 C ATOM 140 C ASP A 10 -5.628 15.314 1.940 1.00 0.86 C ATOM 141 O ASP A 10 -6.196 14.247 1.756 1.00 0.75 O ATOM 142 CB ASP A 10 -6.659 17.057 3.456 1.00 1.53 C ATOM 143 CG ASP A 10 -8.041 16.578 3.018 1.00 1.88 C ATOM 144 OD1 ASP A 10 -8.764 16.047 3.890 1.00 3.62 O ATOM 145 OD2 ASP A 10 -8.330 16.738 1.812 1.00 1.65 O ATOM 0 H ASP A 10 -4.242 17.450 3.755 1.00 1.25 H new ATOM 0 HA ASP A 10 -5.924 15.147 4.027 1.00 1.15 H new ATOM 0 HB2 ASP A 10 -6.700 17.407 4.488 1.00 1.53 H new ATOM 0 HB3 ASP A 10 -6.352 17.905 2.844 1.00 1.53 H new ATOM 150 N SER A 11 -4.936 15.908 0.967 1.00 0.92 N ATOM 151 CA SER A 11 -4.824 15.327 -0.362 1.00 0.85 C ATOM 152 C SER A 11 -4.108 13.977 -0.311 1.00 0.70 C ATOM 153 O SER A 11 -4.641 12.959 -0.756 1.00 0.61 O ATOM 154 CB SER A 11 -4.069 16.297 -1.272 1.00 1.17 C ATOM 155 OG SER A 11 -4.751 17.530 -1.328 1.00 1.92 O ATOM 0 H SER A 11 -4.445 16.795 1.080 1.00 0.92 H new ATOM 0 HA SER A 11 -5.824 15.157 -0.760 1.00 0.85 H new ATOM 0 HB2 SER A 11 -3.057 16.448 -0.897 1.00 1.17 H new ATOM 0 HB3 SER A 11 -3.979 15.875 -2.273 1.00 1.17 H new ATOM 0 HG SER A 11 -4.262 18.148 -1.911 1.00 1.92 H new ATOM 161 N GLU A 12 -2.878 13.954 0.206 1.00 0.79 N ATOM 162 CA GLU A 12 -2.104 12.717 0.215 1.00 0.74 C ATOM 163 C GLU A 12 -2.706 11.716 1.212 1.00 0.60 C ATOM 164 O GLU A 12 -2.452 10.516 1.125 1.00 0.71 O ATOM 165 CB GLU A 12 -0.620 12.993 0.499 1.00 0.93 C ATOM 166 CG GLU A 12 -0.358 13.546 1.905 1.00 2.22 C ATOM 167 CD GLU A 12 1.130 13.524 2.251 1.00 2.68 C ATOM 168 OE1 GLU A 12 1.862 14.380 1.713 1.00 3.20 O ATOM 169 OE2 GLU A 12 1.509 12.624 3.040 1.00 3.37 O ATOM 0 H GLU A 12 -2.407 14.761 0.615 1.00 0.79 H new ATOM 0 HA GLU A 12 -2.156 12.267 -0.776 1.00 0.74 H new ATOM 0 HB2 GLU A 12 -0.056 12.069 0.370 1.00 0.93 H new ATOM 0 HB3 GLU A 12 -0.243 13.702 -0.238 1.00 0.93 H new ATOM 0 HG2 GLU A 12 -0.732 14.568 1.970 1.00 2.22 H new ATOM 0 HG3 GLU A 12 -0.911 12.957 2.637 1.00 2.22 H new ATOM 176 N GLY A 13 -3.484 12.199 2.180 1.00 0.55 N ATOM 177 CA GLY A 13 -4.199 11.379 3.144 1.00 0.58 C ATOM 178 C GLY A 13 -5.444 10.737 2.533 1.00 0.50 C ATOM 179 O GLY A 13 -5.734 9.579 2.813 1.00 0.51 O ATOM 0 H GLY A 13 -3.635 13.199 2.315 1.00 0.55 H new ATOM 0 HA2 GLY A 13 -3.536 10.600 3.520 1.00 0.58 H new ATOM 0 HA3 GLY A 13 -4.488 11.991 3.998 1.00 0.58 H new ATOM 183 N PHE A 14 -6.178 11.449 1.680 1.00 0.48 N ATOM 184 CA PHE A 14 -7.443 10.992 1.113 1.00 0.50 C ATOM 185 C PHE A 14 -7.218 9.684 0.367 1.00 0.43 C ATOM 186 O PHE A 14 -7.895 8.684 0.583 1.00 0.50 O ATOM 187 CB PHE A 14 -7.996 12.075 0.176 1.00 0.56 C ATOM 188 CG PHE A 14 -9.245 11.675 -0.588 1.00 1.06 C ATOM 189 CD1 PHE A 14 -9.141 10.944 -1.787 1.00 2.67 C ATOM 190 CD2 PHE A 14 -10.514 12.041 -0.103 1.00 1.50 C ATOM 191 CE1 PHE A 14 -10.299 10.564 -2.488 1.00 3.39 C ATOM 192 CE2 PHE A 14 -11.672 11.673 -0.812 1.00 1.89 C ATOM 193 CZ PHE A 14 -11.565 10.932 -2.001 1.00 2.61 C ATOM 0 H PHE A 14 -5.904 12.377 1.358 1.00 0.48 H new ATOM 0 HA PHE A 14 -8.171 10.815 1.905 1.00 0.50 H new ATOM 0 HB2 PHE A 14 -8.216 12.967 0.763 1.00 0.56 H new ATOM 0 HB3 PHE A 14 -7.220 12.348 -0.540 1.00 0.56 H new ATOM 0 HD1 PHE A 14 -8.168 10.674 -2.170 1.00 2.67 H new ATOM 0 HD2 PHE A 14 -10.599 12.605 0.814 1.00 1.50 H new ATOM 0 HE1 PHE A 14 -10.216 9.990 -3.399 1.00 3.39 H new ATOM 0 HE2 PHE A 14 -12.645 11.961 -0.442 1.00 1.89 H new ATOM 0 HZ PHE A 14 -12.455 10.645 -2.541 1.00 2.61 H new ATOM 203 N ILE A 15 -6.241 9.682 -0.530 1.00 0.35 N ATOM 204 CA ILE A 15 -5.911 8.500 -1.311 1.00 0.34 C ATOM 205 C ILE A 15 -5.426 7.342 -0.424 1.00 0.32 C ATOM 206 O ILE A 15 -5.676 6.183 -0.748 1.00 0.35 O ATOM 207 CB ILE A 15 -4.884 8.862 -2.377 1.00 0.34 C ATOM 208 CG1 ILE A 15 -3.581 9.250 -1.669 1.00 0.34 C ATOM 209 CG2 ILE A 15 -5.437 9.951 -3.305 1.00 0.42 C ATOM 210 CD1 ILE A 15 -2.743 10.300 -2.370 1.00 0.50 C ATOM 0 H ILE A 15 -5.659 10.494 -0.735 1.00 0.35 H new ATOM 0 HA ILE A 15 -6.817 8.147 -1.803 1.00 0.34 H new ATOM 0 HB ILE A 15 -4.668 8.014 -3.027 1.00 0.34 H new ATOM 0 HG12 ILE A 15 -3.825 9.613 -0.671 1.00 0.34 H new ATOM 0 HG13 ILE A 15 -2.976 8.352 -1.543 1.00 0.34 H new ATOM 0 HG21 ILE A 15 -4.691 10.198 -4.061 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -6.342 9.588 -3.793 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -5.671 10.841 -2.722 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -1.845 10.500 -1.785 1.00 0.50 H new ATOM 0 HD12 ILE A 15 -2.459 9.938 -3.358 1.00 0.50 H new ATOM 0 HD13 ILE A 15 -3.321 11.218 -2.472 1.00 0.50 H new ATOM 222 N HIS A 16 -4.719 7.637 0.677 1.00 0.31 N ATOM 223 CA HIS A 16 -4.274 6.619 1.626 1.00 0.33 C ATOM 224 C HIS A 16 -5.537 5.936 2.164 1.00 0.38 C ATOM 225 O HIS A 16 -5.669 4.715 2.108 1.00 0.38 O ATOM 226 CB HIS A 16 -3.431 7.284 2.738 1.00 0.37 C ATOM 227 CG HIS A 16 -3.007 6.440 3.923 1.00 0.40 C ATOM 228 ND1 HIS A 16 -1.719 6.374 4.416 1.00 0.48 N ATOM 229 CD2 HIS A 16 -3.827 5.839 4.843 1.00 0.54 C ATOM 230 CE1 HIS A 16 -1.745 5.718 5.590 1.00 0.53 C ATOM 231 NE2 HIS A 16 -3.019 5.384 5.875 1.00 0.57 N ATOM 0 H HIS A 16 -4.443 8.586 0.929 1.00 0.31 H new ATOM 0 HA HIS A 16 -3.633 5.869 1.163 1.00 0.33 H new ATOM 0 HB2 HIS A 16 -2.529 7.685 2.276 1.00 0.37 H new ATOM 0 HB3 HIS A 16 -3.997 8.133 3.121 1.00 0.37 H new ATOM 0 HD1 HIS A 16 -0.888 6.758 3.966 1.00 0.48 H new ATOM 0 HD2 HIS A 16 -4.900 5.739 4.777 1.00 0.54 H new ATOM 0 HE1 HIS A 16 -0.885 5.495 6.204 1.00 0.53 H new ATOM 240 N GLU A 17 -6.480 6.730 2.684 1.00 0.44 N ATOM 241 CA GLU A 17 -7.764 6.261 3.197 1.00 0.51 C ATOM 242 C GLU A 17 -8.453 5.384 2.158 1.00 0.51 C ATOM 243 O GLU A 17 -8.938 4.317 2.507 1.00 0.53 O ATOM 244 CB GLU A 17 -8.678 7.430 3.616 1.00 0.64 C ATOM 245 CG GLU A 17 -8.254 8.050 4.951 1.00 0.80 C ATOM 246 CD GLU A 17 -9.072 9.293 5.354 1.00 1.32 C ATOM 247 OE1 GLU A 17 -10.116 9.584 4.722 1.00 2.47 O ATOM 248 OE2 GLU A 17 -8.635 9.948 6.325 1.00 1.94 O ATOM 0 H GLU A 17 -6.365 7.741 2.760 1.00 0.44 H new ATOM 0 HA GLU A 17 -7.570 5.669 4.091 1.00 0.51 H new ATOM 0 HB2 GLU A 17 -8.662 8.196 2.841 1.00 0.64 H new ATOM 0 HB3 GLU A 17 -9.706 7.075 3.693 1.00 0.64 H new ATOM 0 HG2 GLU A 17 -8.346 7.298 5.734 1.00 0.80 H new ATOM 0 HG3 GLU A 17 -7.201 8.324 4.894 1.00 0.80 H new ATOM 255 N PHE A 18 -8.464 5.799 0.891 1.00 0.51 N ATOM 256 CA PHE A 18 -9.046 5.050 -0.219 1.00 0.55 C ATOM 257 C PHE A 18 -8.485 3.640 -0.274 1.00 0.50 C ATOM 258 O PHE A 18 -9.252 2.685 -0.185 1.00 0.50 O ATOM 259 CB PHE A 18 -8.813 5.818 -1.531 1.00 0.59 C ATOM 260 CG PHE A 18 -10.025 5.912 -2.429 1.00 0.74 C ATOM 261 CD1 PHE A 18 -10.980 6.917 -2.188 1.00 1.91 C ATOM 262 CD2 PHE A 18 -10.190 5.031 -3.514 1.00 2.28 C ATOM 263 CE1 PHE A 18 -12.100 7.040 -3.027 1.00 2.11 C ATOM 264 CE2 PHE A 18 -11.310 5.158 -4.355 1.00 2.41 C ATOM 265 CZ PHE A 18 -12.264 6.160 -4.112 1.00 1.42 C ATOM 0 H PHE A 18 -8.057 6.689 0.603 1.00 0.51 H new ATOM 0 HA PHE A 18 -10.121 4.952 -0.068 1.00 0.55 H new ATOM 0 HB2 PHE A 18 -8.476 6.826 -1.291 1.00 0.59 H new ATOM 0 HB3 PHE A 18 -8.006 5.334 -2.081 1.00 0.59 H new ATOM 0 HD1 PHE A 18 -10.852 7.595 -1.357 1.00 1.91 H new ATOM 0 HD2 PHE A 18 -9.458 4.259 -3.700 1.00 2.28 H new ATOM 0 HE1 PHE A 18 -12.834 7.809 -2.839 1.00 2.11 H new ATOM 0 HE2 PHE A 18 -11.437 4.484 -5.189 1.00 2.41 H new ATOM 0 HZ PHE A 18 -13.124 6.255 -4.759 1.00 1.42 H new ATOM 275 N GLY A 19 -7.161 3.496 -0.375 1.00 0.49 N ATOM 276 CA GLY A 19 -6.522 2.187 -0.341 1.00 0.50 C ATOM 277 C GLY A 19 -7.054 1.365 0.825 1.00 0.46 C ATOM 278 O GLY A 19 -7.433 0.205 0.675 1.00 0.45 O ATOM 0 H GLY A 19 -6.512 4.276 -0.481 1.00 0.49 H new ATOM 0 HA2 GLY A 19 -6.706 1.661 -1.278 1.00 0.50 H new ATOM 0 HA3 GLY A 19 -5.442 2.305 -0.248 1.00 0.50 H new ATOM 282 N HIS A 20 -7.125 1.985 2.001 1.00 0.46 N ATOM 283 CA HIS A 20 -7.605 1.307 3.190 1.00 0.46 C ATOM 284 C HIS A 20 -9.041 0.822 3.031 1.00 0.45 C ATOM 285 O HIS A 20 -9.346 -0.312 3.380 1.00 0.48 O ATOM 286 CB HIS A 20 -7.469 2.234 4.402 1.00 0.53 C ATOM 287 CG HIS A 20 -7.264 1.508 5.702 1.00 0.57 C ATOM 288 ND1 HIS A 20 -6.617 2.034 6.801 1.00 0.63 N ATOM 289 CD2 HIS A 20 -7.644 0.228 6.000 1.00 1.75 C ATOM 290 CE1 HIS A 20 -6.596 1.080 7.747 1.00 0.82 C ATOM 291 NE2 HIS A 20 -7.229 -0.019 7.289 1.00 1.79 N ATOM 0 H HIS A 20 -6.854 2.957 2.150 1.00 0.46 H new ATOM 0 HA HIS A 20 -6.991 0.420 3.346 1.00 0.46 H new ATOM 0 HB2 HIS A 20 -6.630 2.910 4.238 1.00 0.53 H new ATOM 0 HB3 HIS A 20 -8.365 2.850 4.478 1.00 0.53 H new ATOM 0 HD2 HIS A 20 -8.168 -0.456 5.350 1.00 1.75 H new ATOM 0 HE1 HIS A 20 -6.143 1.178 8.722 1.00 0.82 H new ATOM 0 HE2 HIS A 20 -7.375 -0.885 7.808 1.00 1.79 H new ATOM 300 N ALA A 21 -9.934 1.664 2.523 1.00 0.49 N ATOM 301 CA ALA A 21 -11.324 1.299 2.350 1.00 0.55 C ATOM 302 C ALA A 21 -11.421 0.104 1.409 1.00 0.58 C ATOM 303 O ALA A 21 -12.306 -0.733 1.565 1.00 0.67 O ATOM 304 CB ALA A 21 -12.117 2.501 1.833 1.00 0.66 C ATOM 0 H ALA A 21 -9.711 2.613 2.223 1.00 0.49 H new ATOM 0 HA ALA A 21 -11.757 1.008 3.307 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -13.162 2.220 1.705 1.00 0.66 H new ATOM 0 HB2 ALA A 21 -12.047 3.319 2.550 1.00 0.66 H new ATOM 0 HB3 ALA A 21 -11.708 2.822 0.875 1.00 0.66 H new ATOM 310 N VAL A 22 -10.501 -0.019 0.447 1.00 0.56 N ATOM 311 CA VAL A 22 -10.526 -1.214 -0.396 1.00 0.64 C ATOM 312 C VAL A 22 -10.193 -2.471 0.399 1.00 0.59 C ATOM 313 O VAL A 22 -10.863 -3.488 0.233 1.00 0.64 O ATOM 314 CB VAL A 22 -9.645 -1.062 -1.649 1.00 0.77 C ATOM 315 CG1 VAL A 22 -9.815 -2.260 -2.592 1.00 0.86 C ATOM 316 CG2 VAL A 22 -10.024 0.202 -2.428 1.00 0.83 C ATOM 0 H VAL A 22 -9.766 0.657 0.240 1.00 0.56 H new ATOM 0 HA VAL A 22 -11.549 -1.329 -0.755 1.00 0.64 H new ATOM 0 HB VAL A 22 -8.612 -1.001 -1.306 1.00 0.77 H new ATOM 0 HG11 VAL A 22 -9.181 -2.126 -3.469 1.00 0.86 H new ATOM 0 HG12 VAL A 22 -9.528 -3.175 -2.073 1.00 0.86 H new ATOM 0 HG13 VAL A 22 -10.857 -2.332 -2.905 1.00 0.86 H new ATOM 0 HG21 VAL A 22 -9.389 0.290 -3.310 1.00 0.83 H new ATOM 0 HG22 VAL A 22 -11.067 0.140 -2.737 1.00 0.83 H new ATOM 0 HG23 VAL A 22 -9.885 1.076 -1.792 1.00 0.83 H new ATOM 326 N ASP A 23 -9.208 -2.405 1.292 1.00 0.54 N ATOM 327 CA ASP A 23 -8.874 -3.515 2.186 1.00 0.55 C ATOM 328 C ASP A 23 -10.078 -3.918 3.037 1.00 0.53 C ATOM 329 O ASP A 23 -10.241 -5.073 3.436 1.00 0.56 O ATOM 330 CB ASP A 23 -7.708 -3.077 3.083 1.00 0.56 C ATOM 331 CG ASP A 23 -6.931 -4.213 3.744 1.00 0.87 C ATOM 332 OD1 ASP A 23 -7.127 -5.385 3.358 1.00 1.67 O ATOM 333 OD2 ASP A 23 -6.128 -3.877 4.644 1.00 2.06 O ATOM 0 H ASP A 23 -8.619 -1.582 1.417 1.00 0.54 H new ATOM 0 HA ASP A 23 -8.588 -4.385 1.594 1.00 0.55 H new ATOM 0 HB2 ASP A 23 -7.015 -2.484 2.486 1.00 0.56 H new ATOM 0 HB3 ASP A 23 -8.097 -2.423 3.863 1.00 0.56 H new ATOM 338 N ASP A 24 -10.934 -2.936 3.311 1.00 0.54 N ATOM 339 CA ASP A 24 -12.071 -3.083 4.193 1.00 0.61 C ATOM 340 C ASP A 24 -13.139 -3.894 3.470 1.00 0.57 C ATOM 341 O ASP A 24 -13.597 -4.935 3.938 1.00 0.58 O ATOM 342 CB ASP A 24 -12.586 -1.698 4.604 1.00 0.82 C ATOM 343 CG ASP A 24 -13.408 -1.769 5.882 1.00 1.20 C ATOM 344 OD1 ASP A 24 -14.626 -2.025 5.768 1.00 1.56 O ATOM 345 OD2 ASP A 24 -12.800 -1.531 6.948 1.00 2.28 O ATOM 0 H ASP A 24 -10.848 -2.000 2.914 1.00 0.54 H new ATOM 0 HA ASP A 24 -11.791 -3.611 5.105 1.00 0.61 H new ATOM 0 HB2 ASP A 24 -11.743 -1.023 4.749 1.00 0.82 H new ATOM 0 HB3 ASP A 24 -13.194 -1.281 3.801 1.00 0.82 H new ATOM 350 N TYR A 25 -13.468 -3.446 2.258 1.00 0.62 N ATOM 351 CA TYR A 25 -14.474 -4.058 1.405 1.00 0.74 C ATOM 352 C TYR A 25 -14.077 -5.497 1.112 1.00 0.70 C ATOM 353 O TYR A 25 -14.878 -6.423 1.241 1.00 0.81 O ATOM 354 CB TYR A 25 -14.625 -3.233 0.120 1.00 0.94 C ATOM 355 CG TYR A 25 -16.039 -3.227 -0.418 1.00 1.35 C ATOM 356 CD1 TYR A 25 -16.625 -4.422 -0.873 1.00 1.27 C ATOM 357 CD2 TYR A 25 -16.788 -2.036 -0.411 1.00 3.05 C ATOM 358 CE1 TYR A 25 -17.963 -4.428 -1.302 1.00 1.34 C ATOM 359 CE2 TYR A 25 -18.122 -2.032 -0.857 1.00 3.64 C ATOM 360 CZ TYR A 25 -18.716 -3.234 -1.304 1.00 2.44 C ATOM 361 OH TYR A 25 -20.011 -3.256 -1.727 1.00 3.00 O ATOM 0 H TYR A 25 -13.029 -2.627 1.837 1.00 0.62 H new ATOM 0 HA TYR A 25 -15.441 -4.072 1.907 1.00 0.74 H new ATOM 0 HB2 TYR A 25 -14.312 -2.207 0.315 1.00 0.94 H new ATOM 0 HB3 TYR A 25 -13.954 -3.631 -0.641 1.00 0.94 H new ATOM 0 HD1 TYR A 25 -16.047 -5.334 -0.893 1.00 1.27 H new ATOM 0 HD2 TYR A 25 -16.336 -1.120 -0.061 1.00 3.05 H new ATOM 0 HE1 TYR A 25 -18.417 -5.351 -1.632 1.00 1.34 H new ATOM 0 HE2 TYR A 25 -18.690 -1.114 -0.858 1.00 3.64 H new ATOM 0 HH TYR A 25 -20.390 -2.354 -1.666 1.00 3.00 H new ATOM 371 N ALA A 26 -12.820 -5.696 0.727 1.00 0.67 N ATOM 372 CA ALA A 26 -12.293 -7.014 0.450 1.00 0.79 C ATOM 373 C ALA A 26 -12.348 -7.909 1.686 1.00 0.74 C ATOM 374 O ALA A 26 -12.511 -9.109 1.525 1.00 0.86 O ATOM 375 CB ALA A 26 -10.878 -6.887 -0.110 1.00 0.90 C ATOM 0 H ALA A 26 -12.144 -4.943 0.600 1.00 0.67 H new ATOM 0 HA ALA A 26 -12.917 -7.498 -0.302 1.00 0.79 H new ATOM 0 HB1 ALA A 26 -10.479 -7.880 -0.319 1.00 0.90 H new ATOM 0 HB2 ALA A 26 -10.902 -6.304 -1.031 1.00 0.90 H new ATOM 0 HB3 ALA A 26 -10.241 -6.387 0.620 1.00 0.90 H new ATOM 381 N GLY A 27 -12.249 -7.369 2.901 1.00 0.66 N ATOM 382 CA GLY A 27 -12.312 -8.170 4.121 1.00 0.75 C ATOM 383 C GLY A 27 -13.738 -8.348 4.631 1.00 0.83 C ATOM 384 O GLY A 27 -13.960 -9.038 5.620 1.00 1.40 O ATOM 0 H GLY A 27 -12.124 -6.370 3.066 1.00 0.66 H new ATOM 0 HA2 GLY A 27 -11.873 -9.149 3.932 1.00 0.75 H new ATOM 0 HA3 GLY A 27 -11.710 -7.695 4.895 1.00 0.75 H new ATOM 388 N TYR A 28 -14.713 -7.705 3.987 1.00 0.72 N ATOM 389 CA TYR A 28 -16.119 -7.908 4.281 1.00 0.85 C ATOM 390 C TYR A 28 -16.647 -9.036 3.396 1.00 0.96 C ATOM 391 O TYR A 28 -17.329 -9.948 3.856 1.00 1.09 O ATOM 392 CB TYR A 28 -16.878 -6.589 4.058 1.00 0.93 C ATOM 393 CG TYR A 28 -17.731 -6.212 5.246 1.00 1.27 C ATOM 394 CD1 TYR A 28 -19.034 -6.725 5.365 1.00 1.57 C ATOM 395 CD2 TYR A 28 -17.199 -5.386 6.252 1.00 1.61 C ATOM 396 CE1 TYR A 28 -19.819 -6.402 6.485 1.00 1.96 C ATOM 397 CE2 TYR A 28 -17.976 -5.064 7.379 1.00 2.08 C ATOM 398 CZ TYR A 28 -19.290 -5.569 7.500 1.00 2.18 C ATOM 399 OH TYR A 28 -20.035 -5.251 8.596 1.00 2.67 O ATOM 0 H TYR A 28 -14.541 -7.027 3.245 1.00 0.72 H new ATOM 0 HA TYR A 28 -16.265 -8.199 5.321 1.00 0.85 H new ATOM 0 HB2 TYR A 28 -16.164 -5.790 3.858 1.00 0.93 H new ATOM 0 HB3 TYR A 28 -17.509 -6.680 3.174 1.00 0.93 H new ATOM 0 HD1 TYR A 28 -19.433 -7.368 4.595 1.00 1.57 H new ATOM 0 HD2 TYR A 28 -16.195 -4.999 6.159 1.00 1.61 H new ATOM 0 HE1 TYR A 28 -20.824 -6.788 6.571 1.00 1.96 H new ATOM 0 HE2 TYR A 28 -17.568 -4.430 8.153 1.00 2.08 H new ATOM 0 HH TYR A 28 -19.513 -4.672 9.189 1.00 2.67 H new ATOM 409 N LEU A 29 -16.366 -8.938 2.097 1.00 1.01 N ATOM 410 CA LEU A 29 -16.818 -9.859 1.074 1.00 1.23 C ATOM 411 C LEU A 29 -15.981 -11.122 1.038 1.00 1.34 C ATOM 412 O LEU A 29 -16.505 -12.201 0.759 1.00 1.50 O ATOM 413 CB LEU A 29 -16.699 -9.163 -0.277 1.00 1.34 C ATOM 414 CG LEU A 29 -17.824 -8.138 -0.525 1.00 1.42 C ATOM 415 CD1 LEU A 29 -19.116 -8.897 -0.791 1.00 1.61 C ATOM 416 CD2 LEU A 29 -18.158 -7.178 0.623 1.00 1.30 C ATOM 0 H LEU A 29 -15.794 -8.182 1.721 1.00 1.01 H new ATOM 0 HA LEU A 29 -17.847 -10.142 1.297 1.00 1.23 H new ATOM 0 HB2 LEU A 29 -15.735 -8.658 -0.336 1.00 1.34 H new ATOM 0 HB3 LEU A 29 -16.716 -9.912 -1.069 1.00 1.34 H new ATOM 0 HG LEU A 29 -17.445 -7.535 -1.350 1.00 1.42 H new ATOM 0 HD11 LEU A 29 -19.924 -8.188 -0.969 1.00 1.61 H new ATOM 0 HD12 LEU A 29 -18.991 -9.532 -1.668 1.00 1.61 H new ATOM 0 HD13 LEU A 29 -19.359 -9.515 0.073 1.00 1.61 H new ATOM 0 HD21 LEU A 29 -18.965 -6.512 0.317 1.00 1.30 H new ATOM 0 HD22 LEU A 29 -18.471 -7.750 1.496 1.00 1.30 H new ATOM 0 HD23 LEU A 29 -17.276 -6.589 0.873 1.00 1.30 H new ATOM 428 N LEU A 30 -14.675 -10.977 1.233 1.00 1.32 N ATOM 429 CA LEU A 30 -13.742 -12.080 1.186 1.00 1.47 C ATOM 430 C LEU A 30 -13.142 -12.195 2.587 1.00 1.52 C ATOM 431 O LEU A 30 -13.386 -11.327 3.417 1.00 2.23 O ATOM 432 CB LEU A 30 -12.650 -11.869 0.125 1.00 1.54 C ATOM 433 CG LEU A 30 -13.185 -11.411 -1.241 1.00 1.62 C ATOM 434 CD1 LEU A 30 -12.146 -10.509 -1.893 1.00 1.60 C ATOM 435 CD2 LEU A 30 -13.486 -12.610 -2.141 1.00 1.92 C ATOM 0 H LEU A 30 -14.237 -10.077 1.430 1.00 1.32 H new ATOM 0 HA LEU A 30 -14.252 -12.999 0.898 1.00 1.47 H new ATOM 0 HB2 LEU A 30 -11.940 -11.128 0.492 1.00 1.54 H new ATOM 0 HB3 LEU A 30 -12.100 -12.801 -0.006 1.00 1.54 H new ATOM 0 HG LEU A 30 -14.117 -10.864 -1.098 1.00 1.62 H new ATOM 0 HD11 LEU A 30 -12.512 -10.176 -2.864 1.00 1.60 H new ATOM 0 HD12 LEU A 30 -11.965 -9.643 -1.256 1.00 1.60 H new ATOM 0 HD13 LEU A 30 -11.216 -11.062 -2.026 1.00 1.60 H new ATOM 0 HD21 LEU A 30 -13.863 -12.258 -3.101 1.00 1.92 H new ATOM 0 HD22 LEU A 30 -12.574 -13.185 -2.298 1.00 1.92 H new ATOM 0 HD23 LEU A 30 -14.236 -13.242 -1.666 1.00 1.92 H new ATOM 447 N ASP A 31 -12.341 -13.235 2.824 1.00 1.92 N ATOM 448 CA ASP A 31 -11.726 -13.544 4.117 1.00 2.16 C ATOM 449 C ASP A 31 -12.774 -13.718 5.228 1.00 1.93 C ATOM 450 O ASP A 31 -13.332 -12.771 5.773 1.00 2.61 O ATOM 451 CB ASP A 31 -10.602 -12.549 4.453 1.00 3.21 C ATOM 452 CG ASP A 31 -9.298 -13.307 4.712 1.00 4.31 C ATOM 453 OD1 ASP A 31 -8.620 -13.637 3.706 1.00 5.66 O ATOM 454 OD2 ASP A 31 -9.030 -13.622 5.891 1.00 4.40 O ATOM 0 H ASP A 31 -12.094 -13.908 2.098 1.00 1.92 H new ATOM 0 HA ASP A 31 -11.241 -14.517 4.041 1.00 2.16 H new ATOM 0 HB2 ASP A 31 -10.468 -11.847 3.630 1.00 3.21 H new ATOM 0 HB3 ASP A 31 -10.873 -11.963 5.331 1.00 3.21 H new ATOM 459 N LYS A 32 -13.112 -14.970 5.545 1.00 2.52 N ATOM 460 CA LYS A 32 -14.151 -15.247 6.534 1.00 3.30 C ATOM 461 C LYS A 32 -13.677 -14.838 7.928 1.00 3.41 C ATOM 462 O LYS A 32 -12.508 -14.528 8.131 1.00 3.83 O ATOM 463 CB LYS A 32 -14.582 -16.717 6.434 1.00 4.39 C ATOM 464 CG LYS A 32 -15.561 -16.847 5.255 1.00 5.20 C ATOM 465 CD LYS A 32 -15.529 -18.231 4.599 1.00 6.03 C ATOM 466 CE LYS A 32 -16.235 -18.173 3.237 1.00 6.95 C ATOM 467 NZ LYS A 32 -17.709 -18.138 3.357 1.00 7.72 N ATOM 0 H LYS A 32 -12.685 -15.800 5.134 1.00 2.52 H new ATOM 0 HA LYS A 32 -15.038 -14.648 6.330 1.00 3.30 H new ATOM 0 HB2 LYS A 32 -13.714 -17.359 6.281 1.00 4.39 H new ATOM 0 HB3 LYS A 32 -15.057 -17.039 7.361 1.00 4.39 H new ATOM 0 HG2 LYS A 32 -16.572 -16.641 5.605 1.00 5.20 H new ATOM 0 HG3 LYS A 32 -15.322 -16.091 4.507 1.00 5.20 H new ATOM 0 HD2 LYS A 32 -14.498 -18.560 4.471 1.00 6.03 H new ATOM 0 HD3 LYS A 32 -16.019 -18.961 5.243 1.00 6.03 H new ATOM 0 HE2 LYS A 32 -15.898 -17.289 2.695 1.00 6.95 H new ATOM 0 HE3 LYS A 32 -15.944 -19.040 2.645 1.00 6.95 H new ATOM 0 HZ1 LYS A 32 -18.134 -18.099 2.408 1.00 7.72 H new ATOM 0 HZ2 LYS A 32 -18.038 -18.993 3.849 1.00 7.72 H new ATOM 0 HZ3 LYS A 32 -17.993 -17.297 3.898 1.00 7.72 H new ATOM 481 N ASN A 33 -14.609 -14.815 8.885 1.00 3.94 N ATOM 482 CA ASN A 33 -14.447 -14.171 10.185 1.00 4.21 C ATOM 483 C ASN A 33 -13.258 -14.737 10.970 1.00 4.16 C ATOM 484 O ASN A 33 -13.424 -15.653 11.775 1.00 5.21 O ATOM 485 CB ASN A 33 -15.763 -14.318 10.970 1.00 5.85 C ATOM 486 CG ASN A 33 -15.798 -13.431 12.209 1.00 6.49 C ATOM 487 OD1 ASN A 33 -16.536 -12.458 12.252 1.00 7.09 O ATOM 488 ND2 ASN A 33 -15.017 -13.744 13.232 1.00 6.80 N ATOM 0 H ASN A 33 -15.521 -15.257 8.770 1.00 3.94 H new ATOM 0 HA ASN A 33 -14.225 -13.115 10.032 1.00 4.21 H new ATOM 0 HB2 ASN A 33 -16.601 -14.065 10.321 1.00 5.85 H new ATOM 0 HB3 ASN A 33 -15.892 -15.359 11.267 1.00 5.85 H new ATOM 0 HD21 ASN A 33 -15.025 -13.169 14.074 1.00 6.80 H new ATOM 0 HD22 ASN A 33 -14.408 -14.560 13.177 1.00 6.80 H new ATOM 495 N GLN A 34 -12.070 -14.169 10.768 1.00 4.18 N ATOM 496 CA GLN A 34 -10.819 -14.655 11.338 1.00 5.28 C ATOM 497 C GLN A 34 -9.865 -13.489 11.570 1.00 4.93 C ATOM 498 O GLN A 34 -9.318 -13.356 12.661 1.00 5.66 O ATOM 499 CB GLN A 34 -10.204 -15.714 10.406 1.00 6.76 C ATOM 500 CG GLN A 34 -10.238 -17.089 11.078 1.00 8.24 C ATOM 501 CD GLN A 34 -10.114 -18.224 10.067 1.00 9.80 C ATOM 502 OE1 GLN A 34 -9.360 -18.150 9.105 1.00 10.32 O ATOM 503 NE2 GLN A 34 -10.856 -19.305 10.266 1.00 11.04 N ATOM 0 H GLN A 34 -11.950 -13.338 10.189 1.00 4.18 H new ATOM 0 HA GLN A 34 -11.011 -15.124 12.303 1.00 5.28 H new ATOM 0 HB2 GLN A 34 -10.755 -15.746 9.466 1.00 6.76 H new ATOM 0 HB3 GLN A 34 -9.176 -15.444 10.164 1.00 6.76 H new ATOM 0 HG2 GLN A 34 -9.426 -17.159 11.802 1.00 8.24 H new ATOM 0 HG3 GLN A 34 -11.170 -17.198 11.633 1.00 8.24 H new ATOM 0 HE21 GLN A 34 -11.480 -19.354 11.071 1.00 11.04 H new ATOM 0 HE22 GLN A 34 -10.803 -20.087 9.614 1.00 11.04 H new ATOM 512 N SER A 35 -9.696 -12.626 10.569 1.00 4.24 N ATOM 513 CA SER A 35 -9.044 -11.340 10.737 1.00 4.07 C ATOM 514 C SER A 35 -9.989 -10.298 10.167 1.00 3.12 C ATOM 515 O SER A 35 -10.858 -10.629 9.362 1.00 3.67 O ATOM 516 CB SER A 35 -7.680 -11.331 10.039 1.00 5.14 C ATOM 517 OG SER A 35 -7.016 -10.100 10.266 1.00 5.84 O ATOM 0 H SER A 35 -10.011 -12.806 9.616 1.00 4.24 H new ATOM 0 HA SER A 35 -8.843 -11.125 11.787 1.00 4.07 H new ATOM 0 HB2 SER A 35 -7.069 -12.154 10.410 1.00 5.14 H new ATOM 0 HB3 SER A 35 -7.811 -11.488 8.968 1.00 5.14 H new ATOM 0 HG SER A 35 -6.146 -10.110 9.816 1.00 5.84 H new ATOM 523 N ASP A 36 -9.838 -9.053 10.607 1.00 2.62 N ATOM 524 CA ASP A 36 -10.595 -7.947 10.055 1.00 2.45 C ATOM 525 C ASP A 36 -9.760 -7.352 8.924 1.00 2.12 C ATOM 526 O ASP A 36 -8.534 -7.303 9.053 1.00 3.25 O ATOM 527 CB ASP A 36 -10.874 -6.924 11.162 1.00 3.53 C ATOM 528 CG ASP A 36 -12.053 -6.031 10.793 1.00 4.40 C ATOM 529 OD1 ASP A 36 -13.101 -6.608 10.430 1.00 5.02 O ATOM 530 OD2 ASP A 36 -11.895 -4.796 10.894 1.00 5.22 O ATOM 0 H ASP A 36 -9.192 -8.789 11.350 1.00 2.62 H new ATOM 0 HA ASP A 36 -11.560 -8.267 9.661 1.00 2.45 H new ATOM 0 HB2 ASP A 36 -11.084 -7.443 12.097 1.00 3.53 H new ATOM 0 HB3 ASP A 36 -9.988 -6.312 11.329 1.00 3.53 H new ATOM 535 N LEU A 37 -10.417 -6.912 7.842 1.00 1.72 N ATOM 536 CA LEU A 37 -9.810 -6.535 6.561 1.00 1.28 C ATOM 537 C LEU A 37 -9.134 -7.747 5.891 1.00 1.28 C ATOM 538 O LEU A 37 -8.732 -8.693 6.565 1.00 1.52 O ATOM 539 CB LEU A 37 -8.876 -5.320 6.698 1.00 1.19 C ATOM 540 CG LEU A 37 -9.540 -4.082 7.331 1.00 1.32 C ATOM 541 CD1 LEU A 37 -9.289 -3.987 8.839 1.00 1.92 C ATOM 542 CD2 LEU A 37 -8.968 -2.812 6.702 1.00 1.67 C ATOM 0 H LEU A 37 -11.431 -6.805 7.837 1.00 1.72 H new ATOM 0 HA LEU A 37 -10.610 -6.214 5.893 1.00 1.28 H new ATOM 0 HB2 LEU A 37 -8.014 -5.605 7.301 1.00 1.19 H new ATOM 0 HB3 LEU A 37 -8.500 -5.052 5.711 1.00 1.19 H new ATOM 0 HG LEU A 37 -10.611 -4.181 7.152 1.00 1.32 H new ATOM 0 HD11 LEU A 37 -9.779 -3.097 9.234 1.00 1.92 H new ATOM 0 HD12 LEU A 37 -9.692 -4.872 9.331 1.00 1.92 H new ATOM 0 HD13 LEU A 37 -8.217 -3.924 9.026 1.00 1.92 H new ATOM 0 HD21 LEU A 37 -9.440 -1.939 7.152 1.00 1.67 H new ATOM 0 HD22 LEU A 37 -7.893 -2.773 6.875 1.00 1.67 H new ATOM 0 HD23 LEU A 37 -9.163 -2.817 5.630 1.00 1.67 H new ATOM 554 N VAL A 38 -9.034 -7.777 4.554 1.00 1.20 N ATOM 555 CA VAL A 38 -8.505 -8.978 3.894 1.00 1.43 C ATOM 556 C VAL A 38 -7.032 -9.166 4.260 1.00 1.73 C ATOM 557 O VAL A 38 -6.617 -10.262 4.635 1.00 2.79 O ATOM 558 CB VAL A 38 -8.763 -8.986 2.374 1.00 1.33 C ATOM 559 CG1 VAL A 38 -8.105 -7.828 1.617 1.00 1.48 C ATOM 560 CG2 VAL A 38 -8.284 -10.299 1.740 1.00 1.55 C ATOM 0 H VAL A 38 -9.301 -7.016 3.930 1.00 1.20 H new ATOM 0 HA VAL A 38 -9.052 -9.844 4.267 1.00 1.43 H new ATOM 0 HB VAL A 38 -9.843 -8.874 2.281 1.00 1.33 H new ATOM 0 HG11 VAL A 38 -8.337 -7.909 0.555 1.00 1.48 H new ATOM 0 HG12 VAL A 38 -8.485 -6.881 2.000 1.00 1.48 H new ATOM 0 HG13 VAL A 38 -7.025 -7.869 1.757 1.00 1.48 H new ATOM 0 HG21 VAL A 38 -8.478 -10.277 0.668 1.00 1.55 H new ATOM 0 HG22 VAL A 38 -7.214 -10.417 1.913 1.00 1.55 H new ATOM 0 HG23 VAL A 38 -8.819 -11.136 2.189 1.00 1.55 H new ATOM 570 N THR A 39 -6.252 -8.085 4.211 1.00 1.57 N ATOM 571 CA THR A 39 -4.830 -8.064 4.526 1.00 1.75 C ATOM 572 C THR A 39 -4.069 -9.223 3.861 1.00 2.31 C ATOM 573 O THR A 39 -4.399 -9.615 2.740 1.00 3.64 O ATOM 574 CB THR A 39 -4.637 -7.974 6.045 1.00 2.20 C ATOM 575 OG1 THR A 39 -4.968 -9.184 6.694 1.00 3.59 O ATOM 576 CG2 THR A 39 -5.463 -6.845 6.654 1.00 2.09 C ATOM 0 H THR A 39 -6.610 -7.169 3.941 1.00 1.57 H new ATOM 0 HA THR A 39 -4.381 -7.169 4.095 1.00 1.75 H new ATOM 0 HB THR A 39 -3.578 -7.768 6.200 1.00 2.20 H new ATOM 0 HG1 THR A 39 -5.463 -9.762 6.076 1.00 3.59 H new ATOM 0 HG21 THR A 39 -5.299 -6.814 7.731 1.00 2.09 H new ATOM 0 HG22 THR A 39 -5.161 -5.895 6.214 1.00 2.09 H new ATOM 0 HG23 THR A 39 -6.520 -7.018 6.453 1.00 2.09 H new ATOM 584 N ASN A 40 -3.023 -9.761 4.500 1.00 2.29 N ATOM 585 CA ASN A 40 -2.226 -10.823 3.898 1.00 3.11 C ATOM 586 C ASN A 40 -2.630 -12.181 4.469 1.00 2.44 C ATOM 587 O ASN A 40 -1.927 -12.755 5.302 1.00 2.90 O ATOM 588 CB ASN A 40 -0.738 -10.542 4.099 1.00 4.49 C ATOM 589 CG ASN A 40 0.093 -11.400 3.154 1.00 5.95 C ATOM 590 OD1 ASN A 40 -0.345 -12.431 2.649 1.00 6.24 O ATOM 591 ND2 ASN A 40 1.289 -10.928 2.831 1.00 7.34 N ATOM 0 H ASN A 40 -2.714 -9.476 5.429 1.00 2.29 H new ATOM 0 HA ASN A 40 -2.416 -10.850 2.825 1.00 3.11 H new ATOM 0 HB2 ASN A 40 -0.532 -9.487 3.919 1.00 4.49 H new ATOM 0 HB3 ASN A 40 -0.458 -10.750 5.132 1.00 4.49 H new ATOM 0 HD21 ASN A 40 1.866 -11.423 2.151 1.00 7.34 H new ATOM 0 HD22 ASN A 40 1.632 -10.070 3.263 1.00 7.34 H new ATOM 598 N SER A 41 -3.770 -12.702 4.014 1.00 2.14 N ATOM 599 CA SER A 41 -4.293 -13.967 4.500 1.00 2.10 C ATOM 600 C SER A 41 -3.417 -15.139 4.047 1.00 2.67 C ATOM 601 O SER A 41 -3.027 -15.977 4.858 1.00 3.76 O ATOM 602 CB SER A 41 -5.757 -14.098 4.069 1.00 2.54 C ATOM 603 OG SER A 41 -5.941 -13.873 2.690 1.00 2.87 O ATOM 0 H SER A 41 -4.350 -12.257 3.302 1.00 2.14 H new ATOM 0 HA SER A 41 -4.265 -13.991 5.589 1.00 2.10 H new ATOM 0 HB2 SER A 41 -6.118 -15.095 4.321 1.00 2.54 H new ATOM 0 HB3 SER A 41 -6.362 -13.388 4.633 1.00 2.54 H new ATOM 0 HG SER A 41 -6.891 -13.713 2.509 1.00 2.87 H new ATOM 609 N LYS A 42 -3.089 -15.221 2.751 1.00 2.70 N ATOM 610 CA LYS A 42 -2.329 -16.352 2.212 1.00 3.36 C ATOM 611 C LYS A 42 -0.979 -16.557 2.892 1.00 3.06 C ATOM 612 O LYS A 42 -0.520 -17.697 2.963 1.00 3.77 O ATOM 613 CB LYS A 42 -2.095 -16.217 0.703 1.00 4.12 C ATOM 614 CG LYS A 42 -3.386 -16.433 -0.094 1.00 4.71 C ATOM 615 CD LYS A 42 -3.109 -16.973 -1.504 1.00 5.45 C ATOM 616 CE LYS A 42 -3.098 -18.510 -1.561 1.00 6.37 C ATOM 617 NZ LYS A 42 -1.940 -19.124 -0.872 1.00 7.27 N ATOM 0 H LYS A 42 -3.339 -14.516 2.057 1.00 2.70 H new ATOM 0 HA LYS A 42 -2.952 -17.223 2.417 1.00 3.36 H new ATOM 0 HB2 LYS A 42 -1.694 -15.227 0.484 1.00 4.12 H new ATOM 0 HB3 LYS A 42 -1.346 -16.942 0.385 1.00 4.12 H new ATOM 0 HG2 LYS A 42 -4.030 -17.131 0.441 1.00 4.71 H new ATOM 0 HG3 LYS A 42 -3.929 -15.491 -0.167 1.00 4.71 H new ATOM 0 HD2 LYS A 42 -3.867 -16.594 -2.189 1.00 5.45 H new ATOM 0 HD3 LYS A 42 -2.148 -16.594 -1.851 1.00 5.45 H new ATOM 0 HE2 LYS A 42 -4.017 -18.888 -1.114 1.00 6.37 H new ATOM 0 HE3 LYS A 42 -3.098 -18.826 -2.604 1.00 6.37 H new ATOM 0 HZ1 LYS A 42 -1.914 -20.143 -1.078 1.00 7.27 H new ATOM 0 HZ2 LYS A 42 -1.061 -18.680 -1.207 1.00 7.27 H new ATOM 0 HZ3 LYS A 42 -2.031 -18.981 0.154 1.00 7.27 H new ATOM 631 N LYS A 43 -0.300 -15.488 3.303 1.00 2.70 N ATOM 632 CA LYS A 43 1.017 -15.586 3.907 1.00 2.73 C ATOM 633 C LYS A 43 1.001 -14.685 5.130 1.00 2.31 C ATOM 634 O LYS A 43 1.179 -13.478 5.001 1.00 3.02 O ATOM 635 CB LYS A 43 2.083 -15.152 2.897 1.00 3.16 C ATOM 636 CG LYS A 43 2.594 -16.283 2.000 1.00 3.87 C ATOM 637 CD LYS A 43 3.604 -17.151 2.761 1.00 4.91 C ATOM 638 CE LYS A 43 4.348 -18.062 1.785 1.00 5.68 C ATOM 639 NZ LYS A 43 5.547 -18.652 2.418 1.00 6.62 N ATOM 0 H LYS A 43 -0.651 -14.533 3.225 1.00 2.70 H new ATOM 0 HA LYS A 43 1.257 -16.608 4.200 1.00 2.73 H new ATOM 0 HB2 LYS A 43 1.672 -14.362 2.268 1.00 3.16 H new ATOM 0 HB3 LYS A 43 2.926 -14.723 3.438 1.00 3.16 H new ATOM 0 HG2 LYS A 43 1.758 -16.896 1.664 1.00 3.87 H new ATOM 0 HG3 LYS A 43 3.062 -15.866 1.108 1.00 3.87 H new ATOM 0 HD2 LYS A 43 4.313 -16.517 3.293 1.00 4.91 H new ATOM 0 HD3 LYS A 43 3.089 -17.751 3.511 1.00 4.91 H new ATOM 0 HE2 LYS A 43 3.684 -18.857 1.446 1.00 5.68 H new ATOM 0 HE3 LYS A 43 4.641 -17.493 0.903 1.00 5.68 H new ATOM 0 HZ1 LYS A 43 6.034 -19.266 1.734 1.00 6.62 H new ATOM 0 HZ2 LYS A 43 6.190 -17.892 2.720 1.00 6.62 H new ATOM 0 HZ3 LYS A 43 5.262 -19.213 3.246 1.00 6.62 H new ATOM 653 N PHE A 44 0.763 -15.298 6.292 1.00 2.33 N ATOM 654 CA PHE A 44 0.449 -14.632 7.548 1.00 2.31 C ATOM 655 C PHE A 44 1.441 -13.503 7.829 1.00 2.03 C ATOM 656 O PHE A 44 2.513 -13.753 8.373 1.00 2.64 O ATOM 657 CB PHE A 44 0.432 -15.683 8.670 1.00 3.19 C ATOM 658 CG PHE A 44 -0.259 -15.236 9.943 1.00 4.25 C ATOM 659 CD1 PHE A 44 0.458 -14.560 10.947 1.00 5.57 C ATOM 660 CD2 PHE A 44 -1.624 -15.520 10.129 1.00 4.78 C ATOM 661 CE1 PHE A 44 -0.193 -14.165 12.131 1.00 6.94 C ATOM 662 CE2 PHE A 44 -2.272 -15.132 11.314 1.00 6.05 C ATOM 663 CZ PHE A 44 -1.556 -14.453 12.315 1.00 7.00 C ATOM 0 H PHE A 44 0.786 -16.314 6.382 1.00 2.33 H new ATOM 0 HA PHE A 44 -0.535 -14.168 7.489 1.00 2.31 H new ATOM 0 HB2 PHE A 44 -0.062 -16.582 8.301 1.00 3.19 H new ATOM 0 HB3 PHE A 44 1.460 -15.959 8.907 1.00 3.19 H new ATOM 0 HD1 PHE A 44 1.507 -14.344 10.809 1.00 5.57 H new ATOM 0 HD2 PHE A 44 -2.176 -16.038 9.359 1.00 4.78 H new ATOM 0 HE1 PHE A 44 0.356 -13.640 12.899 1.00 6.94 H new ATOM 0 HE2 PHE A 44 -3.319 -15.355 11.455 1.00 6.05 H new ATOM 0 HZ PHE A 44 -2.053 -14.153 13.225 1.00 7.00 H new ATOM 673 N ILE A 45 1.068 -12.277 7.449 1.00 1.40 N ATOM 674 CA ILE A 45 1.896 -11.080 7.460 1.00 1.17 C ATOM 675 C ILE A 45 3.346 -11.351 7.025 1.00 1.18 C ATOM 676 O ILE A 45 4.262 -11.422 7.837 1.00 1.92 O ATOM 677 CB ILE A 45 1.731 -10.335 8.798 1.00 1.65 C ATOM 678 CG1 ILE A 45 2.085 -11.150 10.057 1.00 1.62 C ATOM 679 CG2 ILE A 45 0.268 -9.885 8.907 1.00 3.11 C ATOM 680 CD1 ILE A 45 2.052 -10.290 11.324 1.00 2.30 C ATOM 0 H ILE A 45 0.126 -12.089 7.107 1.00 1.40 H new ATOM 0 HA ILE A 45 1.541 -10.395 6.690 1.00 1.17 H new ATOM 0 HB ILE A 45 2.440 -9.508 8.776 1.00 1.65 H new ATOM 0 HG12 ILE A 45 1.384 -11.978 10.162 1.00 1.62 H new ATOM 0 HG13 ILE A 45 3.077 -11.586 9.940 1.00 1.62 H new ATOM 0 HG21 ILE A 45 0.120 -9.353 9.847 1.00 3.11 H new ATOM 0 HG22 ILE A 45 0.028 -9.224 8.074 1.00 3.11 H new ATOM 0 HG23 ILE A 45 -0.384 -10.758 8.877 1.00 3.11 H new ATOM 0 HD11 ILE A 45 2.308 -10.904 12.187 1.00 2.30 H new ATOM 0 HD12 ILE A 45 2.772 -9.477 11.231 1.00 2.30 H new ATOM 0 HD13 ILE A 45 1.053 -9.876 11.457 1.00 2.30 H new ATOM 692 N ASP A 46 3.567 -11.449 5.711 1.00 0.83 N ATOM 693 CA ASP A 46 4.860 -11.826 5.129 1.00 0.77 C ATOM 694 C ASP A 46 5.425 -10.673 4.297 1.00 0.56 C ATOM 695 O ASP A 46 6.471 -10.113 4.614 1.00 0.52 O ATOM 696 CB ASP A 46 4.628 -13.092 4.305 1.00 1.02 C ATOM 697 CG ASP A 46 5.890 -13.736 3.734 1.00 1.35 C ATOM 698 OD1 ASP A 46 6.970 -13.514 4.317 1.00 2.26 O ATOM 699 OD2 ASP A 46 5.736 -14.498 2.751 1.00 2.28 O ATOM 0 H ASP A 46 2.846 -11.267 5.013 1.00 0.83 H new ATOM 0 HA ASP A 46 5.604 -12.030 5.899 1.00 0.77 H new ATOM 0 HB2 ASP A 46 4.116 -13.824 4.930 1.00 1.02 H new ATOM 0 HB3 ASP A 46 3.957 -12.852 3.480 1.00 1.02 H new ATOM 704 N ILE A 47 4.671 -10.233 3.288 1.00 0.50 N ATOM 705 CA ILE A 47 4.967 -9.048 2.480 1.00 0.43 C ATOM 706 C ILE A 47 5.213 -7.846 3.403 1.00 0.35 C ATOM 707 O ILE A 47 6.245 -7.185 3.365 1.00 0.39 O ATOM 708 CB ILE A 47 3.785 -8.803 1.520 1.00 0.40 C ATOM 709 CG1 ILE A 47 3.592 -9.943 0.510 1.00 0.46 C ATOM 710 CG2 ILE A 47 3.883 -7.457 0.806 1.00 0.41 C ATOM 711 CD1 ILE A 47 4.496 -9.774 -0.702 1.00 0.53 C ATOM 0 H ILE A 47 3.813 -10.705 3.002 1.00 0.50 H new ATOM 0 HA ILE A 47 5.870 -9.196 1.887 1.00 0.43 H new ATOM 0 HB ILE A 47 2.898 -8.778 2.153 1.00 0.40 H new ATOM 0 HG12 ILE A 47 3.803 -10.897 0.992 1.00 0.46 H new ATOM 0 HG13 ILE A 47 2.551 -9.972 0.188 1.00 0.46 H new ATOM 0 HG21 ILE A 47 3.027 -7.334 0.142 1.00 0.41 H new ATOM 0 HG22 ILE A 47 3.889 -6.654 1.543 1.00 0.41 H new ATOM 0 HG23 ILE A 47 4.803 -7.421 0.222 1.00 0.41 H new ATOM 0 HD11 ILE A 47 4.333 -10.599 -1.396 1.00 0.53 H new ATOM 0 HD12 ILE A 47 4.266 -8.831 -1.199 1.00 0.53 H new ATOM 0 HD13 ILE A 47 5.538 -9.771 -0.381 1.00 0.53 H new ATOM 723 N PHE A 48 4.259 -7.555 4.283 1.00 0.31 N ATOM 724 CA PHE A 48 4.415 -6.487 5.255 1.00 0.30 C ATOM 725 C PHE A 48 5.643 -6.690 6.142 1.00 0.31 C ATOM 726 O PHE A 48 6.201 -5.725 6.650 1.00 0.32 O ATOM 727 CB PHE A 48 3.142 -6.432 6.092 1.00 0.37 C ATOM 728 CG PHE A 48 3.251 -5.551 7.313 1.00 0.38 C ATOM 729 CD1 PHE A 48 3.623 -4.212 7.161 1.00 0.36 C ATOM 730 CD2 PHE A 48 3.098 -6.090 8.600 1.00 0.43 C ATOM 731 CE1 PHE A 48 3.897 -3.418 8.279 1.00 0.42 C ATOM 732 CE2 PHE A 48 3.313 -5.283 9.732 1.00 0.46 C ATOM 733 CZ PHE A 48 3.740 -3.954 9.569 1.00 0.47 C ATOM 0 H PHE A 48 3.368 -8.048 4.340 1.00 0.31 H new ATOM 0 HA PHE A 48 4.573 -5.543 4.733 1.00 0.30 H new ATOM 0 HB2 PHE A 48 2.324 -6.072 5.468 1.00 0.37 H new ATOM 0 HB3 PHE A 48 2.882 -7.443 6.407 1.00 0.37 H new ATOM 0 HD1 PHE A 48 3.699 -3.787 6.171 1.00 0.36 H new ATOM 0 HD2 PHE A 48 2.815 -7.125 8.721 1.00 0.43 H new ATOM 0 HE1 PHE A 48 4.228 -2.398 8.152 1.00 0.42 H new ATOM 0 HE2 PHE A 48 3.151 -5.683 10.722 1.00 0.46 H new ATOM 0 HZ PHE A 48 3.948 -3.344 10.436 1.00 0.47 H new ATOM 743 N LYS A 49 6.075 -7.924 6.390 1.00 0.34 N ATOM 744 CA LYS A 49 7.219 -8.105 7.263 1.00 0.36 C ATOM 745 C LYS A 49 8.497 -7.601 6.609 1.00 0.36 C ATOM 746 O LYS A 49 9.276 -6.927 7.275 1.00 0.39 O ATOM 747 CB LYS A 49 7.350 -9.562 7.728 1.00 0.48 C ATOM 748 CG LYS A 49 6.827 -9.758 9.152 1.00 0.82 C ATOM 749 CD LYS A 49 5.382 -9.270 9.341 1.00 1.11 C ATOM 750 CE LYS A 49 5.241 -7.922 10.050 1.00 0.91 C ATOM 751 NZ LYS A 49 5.834 -7.940 11.400 1.00 0.96 N ATOM 0 H LYS A 49 5.666 -8.779 6.014 1.00 0.34 H new ATOM 0 HA LYS A 49 7.052 -7.501 8.155 1.00 0.36 H new ATOM 0 HB2 LYS A 49 6.799 -10.211 7.047 1.00 0.48 H new ATOM 0 HB3 LYS A 49 8.396 -9.865 7.681 1.00 0.48 H new ATOM 0 HG2 LYS A 49 6.883 -10.816 9.410 1.00 0.82 H new ATOM 0 HG3 LYS A 49 7.477 -9.226 9.847 1.00 0.82 H new ATOM 0 HD2 LYS A 49 4.908 -9.200 8.362 1.00 1.11 H new ATOM 0 HD3 LYS A 49 4.832 -10.021 9.909 1.00 1.11 H new ATOM 0 HE2 LYS A 49 5.722 -7.147 9.453 1.00 0.91 H new ATOM 0 HE3 LYS A 49 4.186 -7.659 10.122 1.00 0.91 H new ATOM 0 HZ1 LYS A 49 5.400 -7.193 11.980 1.00 0.96 H new ATOM 0 HZ2 LYS A 49 5.662 -8.865 11.842 1.00 0.96 H new ATOM 0 HZ3 LYS A 49 6.858 -7.774 11.331 1.00 0.96 H new ATOM 765 N GLU A 50 8.730 -7.950 5.347 1.00 0.39 N ATOM 766 CA GLU A 50 9.934 -7.512 4.657 1.00 0.45 C ATOM 767 C GLU A 50 9.705 -6.107 4.099 1.00 0.44 C ATOM 768 O GLU A 50 10.333 -5.136 4.522 1.00 0.47 O ATOM 769 CB GLU A 50 10.285 -8.539 3.567 1.00 0.55 C ATOM 770 CG GLU A 50 11.522 -8.165 2.735 1.00 1.41 C ATOM 771 CD GLU A 50 12.808 -8.064 3.562 1.00 1.58 C ATOM 772 OE1 GLU A 50 12.807 -8.565 4.709 1.00 1.85 O ATOM 773 OE2 GLU A 50 13.787 -7.501 3.027 1.00 2.82 O ATOM 0 H GLU A 50 8.105 -8.530 4.787 1.00 0.39 H new ATOM 0 HA GLU A 50 10.784 -7.456 5.337 1.00 0.45 H new ATOM 0 HB2 GLU A 50 10.454 -9.508 4.036 1.00 0.55 H new ATOM 0 HB3 GLU A 50 9.431 -8.652 2.899 1.00 0.55 H new ATOM 0 HG2 GLU A 50 11.661 -8.909 1.951 1.00 1.41 H new ATOM 0 HG3 GLU A 50 11.342 -7.211 2.240 1.00 1.41 H new ATOM 780 N GLU A 51 8.795 -5.978 3.137 1.00 0.42 N ATOM 781 CA GLU A 51 8.610 -4.728 2.413 1.00 0.41 C ATOM 782 C GLU A 51 8.009 -3.648 3.312 1.00 0.38 C ATOM 783 O GLU A 51 8.332 -2.463 3.171 1.00 0.40 O ATOM 784 CB GLU A 51 7.738 -4.952 1.180 1.00 0.39 C ATOM 785 CG GLU A 51 8.481 -5.674 0.047 1.00 0.71 C ATOM 786 CD GLU A 51 8.321 -7.192 -0.013 1.00 1.50 C ATOM 787 OE1 GLU A 51 7.930 -7.806 1.001 1.00 2.69 O ATOM 788 OE2 GLU A 51 8.546 -7.705 -1.132 1.00 2.57 O ATOM 0 H GLU A 51 8.172 -6.730 2.841 1.00 0.42 H new ATOM 0 HA GLU A 51 9.590 -4.379 2.088 1.00 0.41 H new ATOM 0 HB2 GLU A 51 6.861 -5.535 1.462 1.00 0.39 H new ATOM 0 HB3 GLU A 51 7.378 -3.990 0.816 1.00 0.39 H new ATOM 0 HG2 GLU A 51 8.144 -5.257 -0.902 1.00 0.71 H new ATOM 0 HG3 GLU A 51 9.543 -5.446 0.136 1.00 0.71 H new ATOM 795 N GLY A 52 7.162 -4.033 4.269 1.00 0.36 N ATOM 796 CA GLY A 52 6.628 -3.160 5.299 1.00 0.38 C ATOM 797 C GLY A 52 7.649 -2.760 6.364 1.00 0.36 C ATOM 798 O GLY A 52 7.333 -2.664 7.547 1.00 0.39 O ATOM 0 H GLY A 52 6.823 -4.992 4.345 1.00 0.36 H new ATOM 0 HA2 GLY A 52 6.236 -2.258 4.829 1.00 0.38 H new ATOM 0 HA3 GLY A 52 5.788 -3.658 5.784 1.00 0.38 H new ATOM 802 N SER A 53 8.871 -2.439 5.948 1.00 0.36 N ATOM 803 CA SER A 53 9.797 -1.646 6.728 1.00 0.41 C ATOM 804 C SER A 53 10.653 -0.785 5.788 1.00 0.37 C ATOM 805 O SER A 53 11.760 -0.402 6.166 1.00 0.46 O ATOM 806 CB SER A 53 10.635 -2.596 7.591 1.00 0.55 C ATOM 807 OG SER A 53 11.449 -1.872 8.493 1.00 1.58 O ATOM 0 H SER A 53 9.245 -2.730 5.045 1.00 0.36 H new ATOM 0 HA SER A 53 9.272 -0.960 7.393 1.00 0.41 H new ATOM 0 HB2 SER A 53 9.978 -3.266 8.145 1.00 0.55 H new ATOM 0 HB3 SER A 53 11.259 -3.220 6.951 1.00 0.55 H new ATOM 0 HG SER A 53 11.865 -1.118 8.025 1.00 1.58 H new ATOM 813 N ASN A 54 10.169 -0.475 4.575 1.00 0.36 N ATOM 814 CA ASN A 54 11.013 0.152 3.558 1.00 0.35 C ATOM 815 C ASN A 54 10.318 1.269 2.785 1.00 0.40 C ATOM 816 O ASN A 54 10.990 2.169 2.287 1.00 0.62 O ATOM 817 CB ASN A 54 11.545 -0.926 2.597 1.00 0.47 C ATOM 818 CG ASN A 54 12.957 -0.636 2.094 1.00 0.66 C ATOM 819 OD1 ASN A 54 13.836 -1.480 2.187 1.00 1.92 O ATOM 820 ND2 ASN A 54 13.230 0.546 1.559 1.00 2.28 N ATOM 0 H ASN A 54 9.208 -0.648 4.281 1.00 0.36 H new ATOM 0 HA ASN A 54 11.840 0.630 4.083 1.00 0.35 H new ATOM 0 HB2 ASN A 54 11.537 -1.891 3.103 1.00 0.47 H new ATOM 0 HB3 ASN A 54 10.872 -1.008 1.744 1.00 0.47 H new ATOM 0 HD21 ASN A 54 14.172 0.750 1.226 1.00 2.28 H new ATOM 0 HD22 ASN A 54 12.498 1.252 1.481 1.00 2.28 H new ATOM 827 N LEU A 55 8.994 1.229 2.640 1.00 0.27 N ATOM 828 CA LEU A 55 8.297 2.273 1.897 1.00 0.30 C ATOM 829 C LEU A 55 8.355 3.602 2.646 1.00 0.36 C ATOM 830 O LEU A 55 8.468 4.663 2.040 1.00 0.45 O ATOM 831 CB LEU A 55 6.833 1.878 1.652 1.00 0.26 C ATOM 832 CG LEU A 55 6.687 0.494 1.006 1.00 0.26 C ATOM 833 CD1 LEU A 55 5.221 0.249 0.636 1.00 0.30 C ATOM 834 CD2 LEU A 55 7.599 0.371 -0.220 1.00 0.28 C ATOM 0 H LEU A 55 8.393 0.498 3.020 1.00 0.27 H new ATOM 0 HA LEU A 55 8.797 2.390 0.936 1.00 0.30 H new ATOM 0 HB2 LEU A 55 6.296 1.889 2.600 1.00 0.26 H new ATOM 0 HB3 LEU A 55 6.363 2.624 1.011 1.00 0.26 H new ATOM 0 HG LEU A 55 6.995 -0.269 1.721 1.00 0.26 H new ATOM 0 HD11 LEU A 55 5.121 -0.735 0.177 1.00 0.30 H new ATOM 0 HD12 LEU A 55 4.606 0.294 1.535 1.00 0.30 H new ATOM 0 HD13 LEU A 55 4.891 1.013 -0.068 1.00 0.30 H new ATOM 0 HD21 LEU A 55 7.481 -0.618 -0.664 1.00 0.28 H new ATOM 0 HD22 LEU A 55 7.329 1.132 -0.952 1.00 0.28 H new ATOM 0 HD23 LEU A 55 8.637 0.511 0.083 1.00 0.28 H new ATOM 846 N THR A 56 8.205 3.535 3.966 1.00 0.33 N ATOM 847 CA THR A 56 8.091 4.677 4.864 1.00 0.35 C ATOM 848 C THR A 56 7.877 4.118 6.272 1.00 0.31 C ATOM 849 O THR A 56 7.526 2.946 6.425 1.00 0.26 O ATOM 850 CB THR A 56 6.971 5.650 4.426 1.00 0.39 C ATOM 851 OG1 THR A 56 6.603 6.513 5.487 1.00 0.44 O ATOM 852 CG2 THR A 56 5.703 4.948 3.943 1.00 0.38 C ATOM 0 H THR A 56 8.158 2.643 4.459 1.00 0.33 H new ATOM 0 HA THR A 56 9.000 5.278 4.840 1.00 0.35 H new ATOM 0 HB THR A 56 7.397 6.208 3.592 1.00 0.39 H new ATOM 0 HG1 THR A 56 5.895 7.119 5.185 1.00 0.44 H new ATOM 0 HG21 THR A 56 4.963 5.693 3.653 1.00 0.38 H new ATOM 0 HG22 THR A 56 5.940 4.319 3.085 1.00 0.38 H new ATOM 0 HG23 THR A 56 5.301 4.330 4.746 1.00 0.38 H new ATOM 860 N SER A 57 8.038 4.945 7.304 1.00 0.39 N ATOM 861 CA SER A 57 7.667 4.595 8.665 1.00 0.39 C ATOM 862 C SER A 57 6.173 4.278 8.752 1.00 0.37 C ATOM 863 O SER A 57 5.775 3.374 9.482 1.00 0.35 O ATOM 864 CB SER A 57 8.033 5.749 9.599 1.00 0.51 C ATOM 865 OG SER A 57 9.352 6.169 9.314 1.00 1.05 O ATOM 0 H SER A 57 8.432 5.881 7.214 1.00 0.39 H new ATOM 0 HA SER A 57 8.213 3.702 8.969 1.00 0.39 H new ATOM 0 HB2 SER A 57 7.337 6.577 9.466 1.00 0.51 H new ATOM 0 HB3 SER A 57 7.955 5.431 10.639 1.00 0.51 H new ATOM 0 HG SER A 57 9.595 6.910 9.907 1.00 1.05 H new ATOM 871 N TYR A 58 5.340 4.979 7.972 1.00 0.45 N ATOM 872 CA TYR A 58 3.902 4.713 7.904 1.00 0.54 C ATOM 873 C TYR A 58 3.594 3.399 7.177 1.00 0.56 C ATOM 874 O TYR A 58 2.444 2.975 7.118 1.00 0.89 O ATOM 875 CB TYR A 58 3.186 5.879 7.192 1.00 0.76 C ATOM 876 CG TYR A 58 2.083 6.568 7.973 1.00 0.70 C ATOM 877 CD1 TYR A 58 1.321 5.876 8.935 1.00 0.65 C ATOM 878 CD2 TYR A 58 1.810 7.926 7.720 1.00 0.81 C ATOM 879 CE1 TYR A 58 0.360 6.557 9.696 1.00 0.73 C ATOM 880 CE2 TYR A 58 0.809 8.600 8.442 1.00 0.90 C ATOM 881 CZ TYR A 58 0.084 7.917 9.442 1.00 0.87 C ATOM 882 OH TYR A 58 -0.889 8.561 10.144 1.00 1.01 O ATOM 0 H TYR A 58 5.646 5.745 7.372 1.00 0.45 H new ATOM 0 HA TYR A 58 3.537 4.620 8.927 1.00 0.54 H new ATOM 0 HB2 TYR A 58 3.933 6.626 6.923 1.00 0.76 H new ATOM 0 HB3 TYR A 58 2.762 5.503 6.261 1.00 0.76 H new ATOM 0 HD1 TYR A 58 1.477 4.818 9.087 1.00 0.65 H new ATOM 0 HD2 TYR A 58 2.374 8.454 6.965 1.00 0.81 H new ATOM 0 HE1 TYR A 58 -0.171 6.038 10.480 1.00 0.73 H new ATOM 0 HE2 TYR A 58 0.596 9.638 8.232 1.00 0.90 H new ATOM 0 HH TYR A 58 -0.947 9.492 9.844 1.00 1.01 H new ATOM 892 N GLY A 59 4.617 2.756 6.609 1.00 0.41 N ATOM 893 CA GLY A 59 4.530 1.439 6.015 1.00 0.46 C ATOM 894 C GLY A 59 5.100 0.376 6.946 1.00 0.40 C ATOM 895 O GLY A 59 5.158 -0.785 6.563 1.00 0.54 O ATOM 0 H GLY A 59 5.553 3.158 6.553 1.00 0.41 H new ATOM 0 HA2 GLY A 59 3.489 1.207 5.788 1.00 0.46 H new ATOM 0 HA3 GLY A 59 5.072 1.427 5.070 1.00 0.46 H new ATOM 899 N ARG A 60 5.504 0.751 8.162 1.00 0.35 N ATOM 900 CA ARG A 60 6.016 -0.163 9.178 1.00 0.40 C ATOM 901 C ARG A 60 5.083 -0.239 10.384 1.00 0.39 C ATOM 902 O ARG A 60 5.197 -1.154 11.198 1.00 0.50 O ATOM 903 CB ARG A 60 7.422 0.293 9.585 1.00 0.47 C ATOM 904 CG ARG A 60 8.183 -0.758 10.411 1.00 0.56 C ATOM 905 CD ARG A 60 7.942 -0.610 11.923 1.00 1.21 C ATOM 906 NE ARG A 60 7.685 -1.911 12.563 1.00 1.83 N ATOM 907 CZ ARG A 60 7.218 -2.083 13.805 1.00 2.82 C ATOM 908 NH1 ARG A 60 7.020 -1.032 14.602 1.00 3.43 N ATOM 909 NH2 ARG A 60 6.961 -3.310 14.258 1.00 3.59 N ATOM 0 H ARG A 60 5.482 1.723 8.472 1.00 0.35 H new ATOM 0 HA ARG A 60 6.068 -1.170 8.764 1.00 0.40 H new ATOM 0 HB2 ARG A 60 7.996 0.526 8.688 1.00 0.47 H new ATOM 0 HB3 ARG A 60 7.345 1.214 10.163 1.00 0.47 H new ATOM 0 HG2 ARG A 60 7.877 -1.755 10.094 1.00 0.56 H new ATOM 0 HG3 ARG A 60 9.250 -0.672 10.207 1.00 0.56 H new ATOM 0 HD2 ARG A 60 8.811 -0.142 12.386 1.00 1.21 H new ATOM 0 HD3 ARG A 60 7.094 0.053 12.093 1.00 1.21 H new ATOM 0 HE ARG A 60 7.879 -2.749 12.015 1.00 1.83 H new ATOM 0 HH11 ARG A 60 7.225 -0.091 14.266 1.00 3.43 H new ATOM 0 HH12 ARG A 60 6.664 -1.169 15.548 1.00 3.43 H new ATOM 0 HH21 ARG A 60 7.120 -4.119 13.658 1.00 3.59 H new ATOM 0 HH22 ARG A 60 6.605 -3.440 15.205 1.00 3.59 H new ATOM 923 N THR A 61 4.197 0.744 10.524 1.00 0.39 N ATOM 924 CA THR A 61 3.070 0.740 11.446 1.00 0.41 C ATOM 925 C THR A 61 2.117 -0.419 11.096 1.00 0.48 C ATOM 926 O THR A 61 2.531 -1.387 10.468 1.00 0.85 O ATOM 927 CB THR A 61 2.407 2.124 11.349 1.00 0.47 C ATOM 928 OG1 THR A 61 2.268 2.478 10.000 1.00 0.80 O ATOM 929 CG2 THR A 61 3.246 3.207 12.016 1.00 0.81 C ATOM 0 H THR A 61 4.249 1.601 9.973 1.00 0.39 H new ATOM 0 HA THR A 61 3.378 0.572 12.478 1.00 0.41 H new ATOM 0 HB THR A 61 1.443 2.055 11.853 1.00 0.47 H new ATOM 0 HG1 THR A 61 1.416 2.945 9.871 1.00 0.80 H new ATOM 0 HG21 THR A 61 2.740 4.168 11.924 1.00 0.81 H new ATOM 0 HG22 THR A 61 3.378 2.967 13.071 1.00 0.81 H new ATOM 0 HG23 THR A 61 4.221 3.262 11.531 1.00 0.81 H new ATOM 937 N ASN A 62 0.850 -0.392 11.524 1.00 0.41 N ATOM 938 CA ASN A 62 -0.068 -1.503 11.266 1.00 0.40 C ATOM 939 C ASN A 62 -0.069 -1.898 9.783 1.00 0.36 C ATOM 940 O ASN A 62 0.029 -1.034 8.915 1.00 0.35 O ATOM 941 CB ASN A 62 -1.490 -1.128 11.717 1.00 0.46 C ATOM 942 CG ASN A 62 -1.685 -1.367 13.205 1.00 0.97 C ATOM 943 OD1 ASN A 62 -0.942 -0.841 14.023 1.00 2.16 O ATOM 944 ND2 ASN A 62 -2.674 -2.168 13.584 1.00 1.39 N ATOM 0 H ASN A 62 0.440 0.382 12.047 1.00 0.41 H new ATOM 0 HA ASN A 62 0.276 -2.363 11.840 1.00 0.40 H new ATOM 0 HB2 ASN A 62 -1.681 -0.079 11.488 1.00 0.46 H new ATOM 0 HB3 ASN A 62 -2.217 -1.714 11.155 1.00 0.46 H new ATOM 0 HD21 ASN A 62 -2.827 -2.356 14.575 1.00 1.39 H new ATOM 0 HD22 ASN A 62 -3.281 -2.595 12.884 1.00 1.39 H new ATOM 951 N GLU A 63 -0.254 -3.191 9.480 1.00 0.39 N ATOM 952 CA GLU A 63 -0.292 -3.673 8.095 1.00 0.38 C ATOM 953 C GLU A 63 -1.374 -2.934 7.299 1.00 0.37 C ATOM 954 O GLU A 63 -1.240 -2.699 6.104 1.00 0.41 O ATOM 955 CB GLU A 63 -0.506 -5.195 8.042 1.00 0.47 C ATOM 956 CG GLU A 63 -0.459 -5.692 6.585 1.00 0.92 C ATOM 957 CD GLU A 63 -0.460 -7.219 6.448 1.00 1.59 C ATOM 958 OE1 GLU A 63 -1.433 -7.832 6.928 1.00 2.43 O ATOM 959 OE2 GLU A 63 0.488 -7.771 5.841 1.00 2.65 O ATOM 0 H GLU A 63 -0.380 -3.923 10.179 1.00 0.39 H new ATOM 0 HA GLU A 63 0.673 -3.462 7.635 1.00 0.38 H new ATOM 0 HB2 GLU A 63 0.262 -5.698 8.630 1.00 0.47 H new ATOM 0 HB3 GLU A 63 -1.467 -5.450 8.489 1.00 0.47 H new ATOM 0 HG2 GLU A 63 -1.316 -5.288 6.046 1.00 0.92 H new ATOM 0 HG3 GLU A 63 0.435 -5.295 6.105 1.00 0.92 H new ATOM 966 N ALA A 64 -2.443 -2.523 7.974 1.00 0.37 N ATOM 967 CA ALA A 64 -3.481 -1.680 7.409 1.00 0.42 C ATOM 968 C ALA A 64 -2.913 -0.400 6.790 1.00 0.39 C ATOM 969 O ALA A 64 -3.324 0.010 5.707 1.00 0.40 O ATOM 970 CB ALA A 64 -4.496 -1.379 8.519 1.00 0.58 C ATOM 0 H ALA A 64 -2.612 -2.774 8.948 1.00 0.37 H new ATOM 0 HA ALA A 64 -3.972 -2.203 6.588 1.00 0.42 H new ATOM 0 HB1 ALA A 64 -5.290 -0.746 8.124 1.00 0.58 H new ATOM 0 HB2 ALA A 64 -4.924 -2.313 8.884 1.00 0.58 H new ATOM 0 HB3 ALA A 64 -3.996 -0.864 9.339 1.00 0.58 H new ATOM 976 N GLU A 65 -1.996 0.269 7.486 1.00 0.38 N ATOM 977 CA GLU A 65 -1.368 1.477 6.979 1.00 0.38 C ATOM 978 C GLU A 65 -0.387 1.148 5.870 1.00 0.31 C ATOM 979 O GLU A 65 -0.337 1.874 4.889 1.00 0.39 O ATOM 980 CB GLU A 65 -0.657 2.245 8.089 1.00 0.45 C ATOM 981 CG GLU A 65 -1.588 2.380 9.289 1.00 0.56 C ATOM 982 CD GLU A 65 -1.258 3.624 10.088 1.00 0.88 C ATOM 983 OE1 GLU A 65 -0.197 3.600 10.751 1.00 2.29 O ATOM 984 OE2 GLU A 65 -2.042 4.593 9.976 1.00 1.72 O ATOM 0 H GLU A 65 -1.672 -0.013 8.411 1.00 0.38 H new ATOM 0 HA GLU A 65 -2.159 2.110 6.578 1.00 0.38 H new ATOM 0 HB2 GLU A 65 0.255 1.724 8.380 1.00 0.45 H new ATOM 0 HB3 GLU A 65 -0.361 3.231 7.732 1.00 0.45 H new ATOM 0 HG2 GLU A 65 -2.623 2.424 8.949 1.00 0.56 H new ATOM 0 HG3 GLU A 65 -1.499 1.499 9.925 1.00 0.56 H new ATOM 991 N PHE A 66 0.365 0.056 6.001 1.00 0.25 N ATOM 992 CA PHE A 66 1.250 -0.437 4.954 1.00 0.23 C ATOM 993 C PHE A 66 0.511 -0.571 3.625 1.00 0.23 C ATOM 994 O PHE A 66 0.952 -0.045 2.609 1.00 0.24 O ATOM 995 CB PHE A 66 1.856 -1.760 5.419 1.00 0.27 C ATOM 996 CG PHE A 66 2.557 -2.544 4.339 1.00 0.28 C ATOM 997 CD1 PHE A 66 3.859 -2.195 3.951 1.00 0.29 C ATOM 998 CD2 PHE A 66 1.924 -3.653 3.749 1.00 0.30 C ATOM 999 CE1 PHE A 66 4.516 -2.922 2.955 1.00 0.30 C ATOM 1000 CE2 PHE A 66 2.605 -4.417 2.790 1.00 0.31 C ATOM 1001 CZ PHE A 66 3.909 -4.056 2.407 1.00 0.31 C ATOM 0 H PHE A 66 0.375 -0.515 6.846 1.00 0.25 H new ATOM 0 HA PHE A 66 2.055 0.276 4.777 1.00 0.23 H new ATOM 0 HB2 PHE A 66 2.566 -1.557 6.221 1.00 0.27 H new ATOM 0 HB3 PHE A 66 1.064 -2.378 5.842 1.00 0.27 H new ATOM 0 HD1 PHE A 66 4.356 -1.361 4.424 1.00 0.29 H new ATOM 0 HD2 PHE A 66 0.916 -3.916 4.034 1.00 0.30 H new ATOM 0 HE1 PHE A 66 5.490 -2.609 2.609 1.00 0.30 H new ATOM 0 HE2 PHE A 66 2.129 -5.280 2.347 1.00 0.31 H new ATOM 0 HZ PHE A 66 4.444 -4.657 1.687 1.00 0.31 H new ATOM 1011 N PHE A 67 -0.615 -1.277 3.626 1.00 0.25 N ATOM 1012 CA PHE A 67 -1.413 -1.520 2.441 1.00 0.24 C ATOM 1013 C PHE A 67 -2.027 -0.212 1.927 1.00 0.22 C ATOM 1014 O PHE A 67 -2.001 0.072 0.730 1.00 0.23 O ATOM 1015 CB PHE A 67 -2.483 -2.553 2.806 1.00 0.28 C ATOM 1016 CG PHE A 67 -3.407 -2.884 1.660 1.00 0.29 C ATOM 1017 CD1 PHE A 67 -3.069 -3.899 0.746 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -4.599 -2.157 1.505 1.00 0.31 C ATOM 1019 CE1 PHE A 67 -3.931 -4.199 -0.323 1.00 0.40 C ATOM 1020 CE2 PHE A 67 -5.452 -2.453 0.425 1.00 0.38 C ATOM 1021 CZ PHE A 67 -5.125 -3.477 -0.482 1.00 0.41 C ATOM 0 H PHE A 67 -1.001 -1.702 4.469 1.00 0.25 H new ATOM 0 HA PHE A 67 -0.797 -1.909 1.631 1.00 0.24 H new ATOM 0 HB2 PHE A 67 -1.995 -3.467 3.146 1.00 0.28 H new ATOM 0 HB3 PHE A 67 -3.072 -2.176 3.642 1.00 0.28 H new ATOM 0 HD1 PHE A 67 -2.147 -4.448 0.866 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -4.858 -1.379 2.207 1.00 0.31 H new ATOM 0 HE1 PHE A 67 -3.676 -4.983 -1.021 1.00 0.40 H new ATOM 0 HE2 PHE A 67 -6.364 -1.890 0.292 1.00 0.38 H new ATOM 0 HZ PHE A 67 -5.791 -3.708 -1.300 1.00 0.41 H new ATOM 1031 N ALA A 68 -2.592 0.603 2.818 1.00 0.23 N ATOM 1032 CA ALA A 68 -3.230 1.856 2.440 1.00 0.23 C ATOM 1033 C ALA A 68 -2.246 2.818 1.751 1.00 0.22 C ATOM 1034 O ALA A 68 -2.531 3.373 0.688 1.00 0.24 O ATOM 1035 CB ALA A 68 -3.838 2.433 3.714 1.00 0.25 C ATOM 0 H ALA A 68 -2.618 0.410 3.819 1.00 0.23 H new ATOM 0 HA ALA A 68 -4.010 1.692 1.696 1.00 0.23 H new ATOM 0 HB1 ALA A 68 -4.331 3.378 3.486 1.00 0.25 H new ATOM 0 HB2 ALA A 68 -4.567 1.731 4.119 1.00 0.25 H new ATOM 0 HB3 ALA A 68 -3.051 2.603 4.448 1.00 0.25 H new ATOM 1041 N GLU A 69 -1.065 2.994 2.343 1.00 0.24 N ATOM 1042 CA GLU A 69 0.074 3.679 1.748 1.00 0.28 C ATOM 1043 C GLU A 69 0.424 3.042 0.416 1.00 0.30 C ATOM 1044 O GLU A 69 0.698 3.745 -0.548 1.00 0.30 O ATOM 1045 CB GLU A 69 1.324 3.553 2.637 1.00 0.62 C ATOM 1046 CG GLU A 69 1.373 4.547 3.792 1.00 1.33 C ATOM 1047 CD GLU A 69 1.488 5.991 3.308 1.00 2.96 C ATOM 1048 OE1 GLU A 69 2.064 6.245 2.226 1.00 3.50 O ATOM 1049 OE2 GLU A 69 0.945 6.871 4.010 1.00 4.23 O ATOM 0 H GLU A 69 -0.872 2.650 3.284 1.00 0.24 H new ATOM 0 HA GLU A 69 -0.207 4.726 1.631 1.00 0.28 H new ATOM 0 HB2 GLU A 69 1.368 2.542 3.041 1.00 0.62 H new ATOM 0 HB3 GLU A 69 2.211 3.688 2.018 1.00 0.62 H new ATOM 0 HG2 GLU A 69 0.474 4.440 4.399 1.00 1.33 H new ATOM 0 HG3 GLU A 69 2.222 4.313 4.435 1.00 1.33 H new ATOM 1056 N ALA A 70 0.457 1.711 0.356 1.00 0.33 N ATOM 1057 CA ALA A 70 0.868 1.030 -0.852 1.00 0.33 C ATOM 1058 C ALA A 70 0.003 1.493 -2.016 1.00 0.30 C ATOM 1059 O ALA A 70 0.562 1.839 -3.045 1.00 0.32 O ATOM 1060 CB ALA A 70 0.852 -0.486 -0.672 1.00 0.39 C ATOM 0 H ALA A 70 0.204 1.095 1.128 1.00 0.33 H new ATOM 0 HA ALA A 70 1.902 1.291 -1.078 1.00 0.33 H new ATOM 0 HB1 ALA A 70 1.166 -0.966 -1.599 1.00 0.39 H new ATOM 0 HB2 ALA A 70 1.535 -0.764 0.130 1.00 0.39 H new ATOM 0 HB3 ALA A 70 -0.157 -0.812 -0.419 1.00 0.39 H new ATOM 1066 N PHE A 71 -1.326 1.570 -1.857 1.00 0.35 N ATOM 1067 CA PHE A 71 -2.215 2.148 -2.867 1.00 0.39 C ATOM 1068 C PHE A 71 -1.829 3.581 -3.211 1.00 0.33 C ATOM 1069 O PHE A 71 -1.706 3.904 -4.393 1.00 0.37 O ATOM 1070 CB PHE A 71 -3.675 2.088 -2.411 1.00 0.49 C ATOM 1071 CG PHE A 71 -4.643 2.582 -3.471 1.00 1.00 C ATOM 1072 CD1 PHE A 71 -4.869 1.808 -4.625 1.00 2.14 C ATOM 1073 CD2 PHE A 71 -5.292 3.824 -3.329 1.00 2.01 C ATOM 1074 CE1 PHE A 71 -5.742 2.270 -5.628 1.00 2.63 C ATOM 1075 CE2 PHE A 71 -6.167 4.284 -4.330 1.00 2.66 C ATOM 1076 CZ PHE A 71 -6.393 3.505 -5.478 1.00 2.52 C ATOM 0 H PHE A 71 -1.811 1.233 -1.025 1.00 0.35 H new ATOM 0 HA PHE A 71 -2.104 1.547 -3.770 1.00 0.39 H new ATOM 0 HB2 PHE A 71 -3.926 1.061 -2.146 1.00 0.49 H new ATOM 0 HB3 PHE A 71 -3.794 2.688 -1.509 1.00 0.49 H new ATOM 0 HD1 PHE A 71 -4.371 0.857 -4.741 1.00 2.14 H new ATOM 0 HD2 PHE A 71 -5.117 4.425 -2.449 1.00 2.01 H new ATOM 0 HE1 PHE A 71 -5.911 1.674 -6.513 1.00 2.63 H new ATOM 0 HE2 PHE A 71 -6.665 5.236 -4.216 1.00 2.66 H new ATOM 0 HZ PHE A 71 -7.067 3.856 -6.245 1.00 2.52 H new ATOM 1086 N ARG A 72 -1.656 4.449 -2.208 1.00 0.28 N ATOM 1087 CA ARG A 72 -1.246 5.832 -2.442 1.00 0.27 C ATOM 1088 C ARG A 72 -0.080 5.894 -3.433 1.00 0.28 C ATOM 1089 O ARG A 72 -0.186 6.508 -4.493 1.00 0.35 O ATOM 1090 CB ARG A 72 -0.931 6.506 -1.100 1.00 0.30 C ATOM 1091 CG ARG A 72 -0.300 7.887 -1.287 1.00 0.39 C ATOM 1092 CD ARG A 72 -0.392 8.688 0.011 1.00 0.79 C ATOM 1093 NE ARG A 72 0.655 8.345 0.984 1.00 1.58 N ATOM 1094 CZ ARG A 72 1.062 9.199 1.929 1.00 1.97 C ATOM 1095 NH1 ARG A 72 0.306 10.247 2.232 1.00 2.61 N ATOM 1096 NH2 ARG A 72 2.219 9.019 2.552 1.00 2.61 N ATOM 0 H ARG A 72 -1.795 4.214 -1.225 1.00 0.28 H new ATOM 0 HA ARG A 72 -2.063 6.387 -2.903 1.00 0.27 H new ATOM 0 HB2 ARG A 72 -1.848 6.602 -0.518 1.00 0.30 H new ATOM 0 HB3 ARG A 72 -0.254 5.873 -0.526 1.00 0.30 H new ATOM 0 HG2 ARG A 72 0.743 7.781 -1.585 1.00 0.39 H new ATOM 0 HG3 ARG A 72 -0.808 8.422 -2.090 1.00 0.39 H new ATOM 0 HD2 ARG A 72 -0.328 9.751 -0.221 1.00 0.79 H new ATOM 0 HD3 ARG A 72 -1.369 8.520 0.465 1.00 0.79 H new ATOM 0 HE ARG A 72 1.087 7.422 0.937 1.00 1.58 H new ATOM 0 HH11 ARG A 72 -0.578 10.396 1.745 1.00 2.61 H new ATOM 0 HH12 ARG A 72 0.609 10.903 2.952 1.00 2.61 H new ATOM 0 HH21 ARG A 72 2.809 8.222 2.312 1.00 2.61 H new ATOM 0 HH22 ARG A 72 2.519 9.677 3.271 1.00 2.61 H new ATOM 1110 N LEU A 73 1.010 5.225 -3.091 1.00 0.24 N ATOM 1111 CA LEU A 73 2.239 5.173 -3.861 1.00 0.24 C ATOM 1112 C LEU A 73 2.016 4.471 -5.195 1.00 0.29 C ATOM 1113 O LEU A 73 2.659 4.807 -6.183 1.00 0.41 O ATOM 1114 CB LEU A 73 3.283 4.439 -3.035 1.00 0.24 C ATOM 1115 CG LEU A 73 3.860 5.189 -1.812 1.00 0.23 C ATOM 1116 CD1 LEU A 73 5.248 5.790 -2.076 1.00 0.30 C ATOM 1117 CD2 LEU A 73 2.990 6.293 -1.207 1.00 0.31 C ATOM 0 H LEU A 73 1.062 4.680 -2.230 1.00 0.24 H new ATOM 0 HA LEU A 73 2.580 6.184 -4.082 1.00 0.24 H new ATOM 0 HB2 LEU A 73 2.843 3.505 -2.684 1.00 0.24 H new ATOM 0 HB3 LEU A 73 4.111 4.174 -3.692 1.00 0.24 H new ATOM 0 HG LEU A 73 3.908 4.381 -1.082 1.00 0.23 H new ATOM 0 HD11 LEU A 73 5.599 6.303 -1.180 1.00 0.30 H new ATOM 0 HD12 LEU A 73 5.946 4.994 -2.335 1.00 0.30 H new ATOM 0 HD13 LEU A 73 5.186 6.500 -2.900 1.00 0.30 H new ATOM 0 HD21 LEU A 73 3.507 6.740 -0.358 1.00 0.31 H new ATOM 0 HD22 LEU A 73 2.799 7.059 -1.959 1.00 0.31 H new ATOM 0 HD23 LEU A 73 2.043 5.868 -0.873 1.00 0.31 H new ATOM 1129 N MET A 74 1.112 3.492 -5.238 1.00 0.29 N ATOM 1130 CA MET A 74 0.825 2.708 -6.433 1.00 0.33 C ATOM 1131 C MET A 74 0.355 3.619 -7.551 1.00 0.34 C ATOM 1132 O MET A 74 0.687 3.399 -8.713 1.00 0.38 O ATOM 1133 CB MET A 74 -0.249 1.636 -6.170 1.00 0.49 C ATOM 1134 CG MET A 74 0.024 0.347 -6.944 1.00 0.83 C ATOM 1135 SD MET A 74 -1.152 -0.126 -8.244 1.00 1.58 S ATOM 1136 CE MET A 74 -0.564 0.861 -9.640 1.00 2.52 C ATOM 0 H MET A 74 0.552 3.220 -4.430 1.00 0.29 H new ATOM 0 HA MET A 74 1.748 2.204 -6.722 1.00 0.33 H new ATOM 0 HB2 MET A 74 -0.288 1.416 -5.103 1.00 0.49 H new ATOM 0 HB3 MET A 74 -1.227 2.027 -6.451 1.00 0.49 H new ATOM 0 HG2 MET A 74 1.010 0.433 -7.400 1.00 0.83 H new ATOM 0 HG3 MET A 74 0.075 -0.471 -6.225 1.00 0.83 H new ATOM 0 HE1 MET A 74 -0.783 0.340 -10.572 1.00 2.52 H new ATOM 0 HE2 MET A 74 -1.066 1.828 -9.639 1.00 2.52 H new ATOM 0 HE3 MET A 74 0.512 1.011 -9.552 1.00 2.52 H new ATOM 1146 N HIS A 75 -0.461 4.621 -7.215 1.00 0.38 N ATOM 1147 CA HIS A 75 -1.008 5.497 -8.233 1.00 0.46 C ATOM 1148 C HIS A 75 -0.100 6.694 -8.462 1.00 0.51 C ATOM 1149 O HIS A 75 -0.078 7.134 -9.606 1.00 0.92 O ATOM 1150 CB HIS A 75 -2.452 5.920 -7.933 1.00 0.58 C ATOM 1151 CG HIS A 75 -2.580 6.935 -6.831 1.00 0.63 C ATOM 1152 ND1 HIS A 75 -2.323 8.293 -6.945 1.00 0.72 N ATOM 1153 CD2 HIS A 75 -2.887 6.651 -5.533 1.00 0.81 C ATOM 1154 CE1 HIS A 75 -2.435 8.827 -5.715 1.00 0.91 C ATOM 1155 NE2 HIS A 75 -2.791 7.852 -4.854 1.00 0.96 N ATOM 0 H HIS A 75 -0.749 4.837 -6.261 1.00 0.38 H new ATOM 0 HA HIS A 75 -1.050 4.926 -9.161 1.00 0.46 H new ATOM 0 HB2 HIS A 75 -2.895 6.328 -8.841 1.00 0.58 H new ATOM 0 HB3 HIS A 75 -3.030 5.035 -7.666 1.00 0.58 H new ATOM 0 HD1 HIS A 75 -2.092 8.794 -7.803 1.00 0.72 H new ATOM 0 HD2 HIS A 75 -3.150 5.688 -5.121 1.00 0.81 H new ATOM 0 HE1 HIS A 75 -2.268 9.863 -5.460 1.00 0.91 H new ATOM 1164 N SER A 76 0.541 7.234 -7.406 1.00 0.43 N ATOM 1165 CA SER A 76 1.322 8.473 -7.365 1.00 0.47 C ATOM 1166 C SER A 76 1.546 9.087 -8.732 1.00 0.47 C ATOM 1167 O SER A 76 2.265 8.549 -9.565 1.00 0.53 O ATOM 1168 CB SER A 76 2.641 8.262 -6.628 1.00 0.52 C ATOM 1169 OG SER A 76 2.385 8.232 -5.241 1.00 1.03 O ATOM 0 H SER A 76 0.521 6.776 -6.495 1.00 0.43 H new ATOM 0 HA SER A 76 0.724 9.194 -6.808 1.00 0.47 H new ATOM 0 HB2 SER A 76 3.107 7.329 -6.946 1.00 0.52 H new ATOM 0 HB3 SER A 76 3.339 9.064 -6.866 1.00 0.52 H new ATOM 0 HG SER A 76 3.233 8.272 -4.751 1.00 1.03 H new ATOM 1175 N THR A 77 0.903 10.237 -8.934 1.00 0.55 N ATOM 1176 CA THR A 77 0.904 10.988 -10.174 1.00 0.64 C ATOM 1177 C THR A 77 2.317 11.111 -10.723 1.00 0.62 C ATOM 1178 O THR A 77 2.550 10.913 -11.917 1.00 0.68 O ATOM 1179 CB THR A 77 0.292 12.363 -9.898 1.00 0.82 C ATOM 1180 OG1 THR A 77 0.769 12.843 -8.655 1.00 0.86 O ATOM 1181 CG2 THR A 77 -1.234 12.273 -9.803 1.00 0.98 C ATOM 0 H THR A 77 0.347 10.683 -8.204 1.00 0.55 H new ATOM 0 HA THR A 77 0.312 10.471 -10.930 1.00 0.64 H new ATOM 0 HB THR A 77 0.571 13.028 -10.715 1.00 0.82 H new ATOM 0 HG1 THR A 77 0.381 13.725 -8.474 1.00 0.86 H new ATOM 0 HG21 THR A 77 -1.645 13.263 -9.606 1.00 0.98 H new ATOM 0 HG22 THR A 77 -1.635 11.893 -10.743 1.00 0.98 H new ATOM 0 HG23 THR A 77 -1.509 11.598 -8.992 1.00 0.98 H new ATOM 1189 N ASP A 78 3.281 11.385 -9.847 1.00 0.60 N ATOM 1190 CA ASP A 78 4.653 11.171 -10.255 1.00 0.61 C ATOM 1191 C ASP A 78 4.938 9.678 -10.378 1.00 0.52 C ATOM 1192 O ASP A 78 5.179 8.973 -9.398 1.00 0.52 O ATOM 1193 CB ASP A 78 5.668 11.835 -9.338 1.00 0.79 C ATOM 1194 CG ASP A 78 7.052 11.408 -9.829 1.00 0.93 C ATOM 1195 OD1 ASP A 78 7.217 11.274 -11.070 1.00 2.26 O ATOM 1196 OD2 ASP A 78 7.888 11.064 -8.971 1.00 1.42 O ATOM 0 H ASP A 78 3.144 11.737 -8.900 1.00 0.60 H new ATOM 0 HA ASP A 78 4.766 11.648 -11.228 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.565 12.920 -9.368 1.00 0.79 H new ATOM 0 HB3 ASP A 78 5.513 11.529 -8.303 1.00 0.79 H new ATOM 1201 N HIS A 79 5.020 9.234 -11.630 1.00 0.56 N ATOM 1202 CA HIS A 79 5.490 7.914 -12.002 1.00 0.54 C ATOM 1203 C HIS A 79 6.680 7.443 -11.162 1.00 0.51 C ATOM 1204 O HIS A 79 6.732 6.279 -10.773 1.00 0.49 O ATOM 1205 CB HIS A 79 5.825 7.891 -13.498 1.00 0.63 C ATOM 1206 CG HIS A 79 7.067 8.669 -13.874 1.00 1.84 C ATOM 1207 ND1 HIS A 79 7.394 9.959 -13.480 1.00 3.15 N ATOM 1208 CD2 HIS A 79 8.106 8.179 -14.616 1.00 3.09 C ATOM 1209 CE1 HIS A 79 8.606 10.242 -13.989 1.00 4.34 C ATOM 1210 NE2 HIS A 79 9.058 9.180 -14.686 1.00 4.31 N ATOM 0 H HIS A 79 4.752 9.804 -12.432 1.00 0.56 H new ATOM 0 HA HIS A 79 4.684 7.209 -11.798 1.00 0.54 H new ATOM 0 HB2 HIS A 79 5.951 6.855 -13.814 1.00 0.63 H new ATOM 0 HB3 HIS A 79 4.978 8.293 -14.054 1.00 0.63 H new ATOM 0 HD1 HIS A 79 6.820 10.579 -12.909 1.00 3.15 H new ATOM 0 HD2 HIS A 79 8.171 7.198 -15.062 1.00 3.09 H new ATOM 0 HE1 HIS A 79 9.135 11.175 -13.860 1.00 4.34 H new ATOM 1219 N ALA A 80 7.657 8.312 -10.912 1.00 0.57 N ATOM 1220 CA ALA A 80 8.891 7.904 -10.262 1.00 0.66 C ATOM 1221 C ALA A 80 8.616 7.493 -8.825 1.00 0.58 C ATOM 1222 O ALA A 80 9.200 6.534 -8.338 1.00 0.56 O ATOM 1223 CB ALA A 80 9.903 9.040 -10.280 1.00 0.91 C ATOM 0 H ALA A 80 7.614 9.303 -11.151 1.00 0.57 H new ATOM 0 HA ALA A 80 9.301 7.054 -10.808 1.00 0.66 H new ATOM 0 HB1 ALA A 80 10.821 8.717 -9.789 1.00 0.91 H new ATOM 0 HB2 ALA A 80 10.121 9.317 -11.311 1.00 0.91 H new ATOM 0 HB3 ALA A 80 9.493 9.901 -9.752 1.00 0.91 H new ATOM 1229 N GLU A 81 7.744 8.232 -8.148 1.00 0.64 N ATOM 1230 CA GLU A 81 7.240 7.908 -6.823 1.00 0.66 C ATOM 1231 C GLU A 81 6.724 6.473 -6.795 1.00 0.55 C ATOM 1232 O GLU A 81 7.022 5.704 -5.883 1.00 0.57 O ATOM 1233 CB GLU A 81 6.167 8.930 -6.432 1.00 0.83 C ATOM 1234 CG GLU A 81 6.438 9.594 -5.084 1.00 0.82 C ATOM 1235 CD GLU A 81 6.088 8.644 -3.949 1.00 1.97 C ATOM 1236 OE1 GLU A 81 4.874 8.355 -3.822 1.00 3.13 O ATOM 1237 OE2 GLU A 81 7.035 8.206 -3.261 1.00 3.33 O ATOM 0 H GLU A 81 7.358 9.100 -8.520 1.00 0.64 H new ATOM 0 HA GLU A 81 8.040 7.967 -6.085 1.00 0.66 H new ATOM 0 HB2 GLU A 81 6.106 9.698 -7.203 1.00 0.83 H new ATOM 0 HB3 GLU A 81 5.197 8.435 -6.398 1.00 0.83 H new ATOM 0 HG2 GLU A 81 7.487 9.881 -5.017 1.00 0.82 H new ATOM 0 HG3 GLU A 81 5.851 10.508 -4.996 1.00 0.82 H new ATOM 1244 N ARG A 82 6.018 6.066 -7.849 1.00 0.45 N ATOM 1245 CA ARG A 82 5.556 4.683 -7.909 1.00 0.37 C ATOM 1246 C ARG A 82 6.765 3.765 -7.961 1.00 0.38 C ATOM 1247 O ARG A 82 6.835 2.806 -7.202 1.00 0.41 O ATOM 1248 CB ARG A 82 4.657 4.419 -9.110 1.00 0.30 C ATOM 1249 CG ARG A 82 3.481 5.394 -9.177 1.00 0.37 C ATOM 1250 CD ARG A 82 3.057 5.608 -10.626 1.00 0.37 C ATOM 1251 NE ARG A 82 1.890 4.806 -11.001 1.00 0.47 N ATOM 1252 CZ ARG A 82 1.903 3.533 -11.423 1.00 1.57 C ATOM 1253 NH1 ARG A 82 3.040 2.833 -11.464 1.00 3.26 N ATOM 1254 NH2 ARG A 82 0.767 2.962 -11.828 1.00 1.50 N ATOM 0 H ARG A 82 5.761 6.650 -8.645 1.00 0.45 H new ATOM 0 HA ARG A 82 4.960 4.489 -7.017 1.00 0.37 H new ATOM 0 HB2 ARG A 82 5.244 4.497 -10.025 1.00 0.30 H new ATOM 0 HB3 ARG A 82 4.278 3.398 -9.061 1.00 0.30 H new ATOM 0 HG2 ARG A 82 2.643 5.005 -8.599 1.00 0.37 H new ATOM 0 HG3 ARG A 82 3.763 6.347 -8.728 1.00 0.37 H new ATOM 0 HD2 ARG A 82 2.832 6.663 -10.782 1.00 0.37 H new ATOM 0 HD3 ARG A 82 3.890 5.359 -11.284 1.00 0.37 H new ATOM 0 HE ARG A 82 0.979 5.260 -10.935 1.00 0.47 H new ATOM 0 HH11 ARG A 82 3.916 3.266 -11.172 1.00 3.26 H new ATOM 0 HH12 ARG A 82 3.032 1.866 -11.788 1.00 3.26 H new ATOM 0 HH21 ARG A 82 -0.104 3.493 -11.815 1.00 1.50 H new ATOM 0 HH22 ARG A 82 0.769 1.994 -12.150 1.00 1.50 H new ATOM 1268 N LEU A 83 7.742 4.066 -8.823 1.00 0.40 N ATOM 1269 CA LEU A 83 8.998 3.330 -8.867 1.00 0.45 C ATOM 1270 C LEU A 83 9.734 3.311 -7.530 1.00 0.43 C ATOM 1271 O LEU A 83 10.500 2.378 -7.306 1.00 0.44 O ATOM 1272 CB LEU A 83 9.933 3.796 -9.994 1.00 0.53 C ATOM 1273 CG LEU A 83 9.590 3.272 -11.397 1.00 0.59 C ATOM 1274 CD1 LEU A 83 9.192 1.799 -11.412 1.00 0.62 C ATOM 1275 CD2 LEU A 83 8.483 4.077 -12.080 1.00 0.54 C ATOM 0 H LEU A 83 7.680 4.823 -9.504 1.00 0.40 H new ATOM 0 HA LEU A 83 8.704 2.304 -9.090 1.00 0.45 H new ATOM 0 HB2 LEU A 83 9.927 4.886 -10.021 1.00 0.53 H new ATOM 0 HB3 LEU A 83 10.950 3.489 -9.749 1.00 0.53 H new ATOM 0 HG LEU A 83 10.519 3.392 -11.954 1.00 0.59 H new ATOM 0 HD11 LEU A 83 8.963 1.494 -12.433 1.00 0.62 H new ATOM 0 HD12 LEU A 83 10.015 1.196 -11.029 1.00 0.62 H new ATOM 0 HD13 LEU A 83 8.313 1.653 -10.784 1.00 0.62 H new ATOM 0 HD21 LEU A 83 8.285 3.659 -13.067 1.00 0.54 H new ATOM 0 HD22 LEU A 83 7.575 4.031 -11.478 1.00 0.54 H new ATOM 0 HD23 LEU A 83 8.798 5.115 -12.182 1.00 0.54 H new ATOM 1287 N LYS A 84 9.543 4.275 -6.623 1.00 0.44 N ATOM 1288 CA LYS A 84 10.132 4.136 -5.295 1.00 0.45 C ATOM 1289 C LYS A 84 9.498 2.945 -4.596 1.00 0.42 C ATOM 1290 O LYS A 84 10.228 2.106 -4.075 1.00 0.44 O ATOM 1291 CB LYS A 84 10.021 5.413 -4.449 1.00 0.48 C ATOM 1292 CG LYS A 84 11.195 6.363 -4.713 1.00 0.56 C ATOM 1293 CD LYS A 84 11.158 6.953 -6.120 1.00 1.00 C ATOM 1294 CE LYS A 84 12.272 7.982 -6.307 1.00 1.09 C ATOM 1295 NZ LYS A 84 12.287 8.493 -7.693 1.00 3.04 N ATOM 0 H LYS A 84 9.006 5.128 -6.778 1.00 0.44 H new ATOM 0 HA LYS A 84 11.202 3.965 -5.416 1.00 0.45 H new ATOM 0 HB2 LYS A 84 9.083 5.920 -4.674 1.00 0.48 H new ATOM 0 HB3 LYS A 84 9.995 5.150 -3.392 1.00 0.48 H new ATOM 0 HG2 LYS A 84 11.177 7.171 -3.982 1.00 0.56 H new ATOM 0 HG3 LYS A 84 12.133 5.826 -4.571 1.00 0.56 H new ATOM 0 HD2 LYS A 84 11.266 6.156 -6.856 1.00 1.00 H new ATOM 0 HD3 LYS A 84 10.190 7.422 -6.297 1.00 1.00 H new ATOM 0 HE2 LYS A 84 12.130 8.809 -5.611 1.00 1.09 H new ATOM 0 HE3 LYS A 84 13.235 7.529 -6.071 1.00 1.09 H new ATOM 0 HZ1 LYS A 84 13.199 8.956 -7.883 1.00 3.04 H new ATOM 0 HZ2 LYS A 84 12.156 7.702 -8.356 1.00 3.04 H new ATOM 0 HZ3 LYS A 84 11.517 9.181 -7.818 1.00 3.04 H new ATOM 1309 N VAL A 85 8.168 2.836 -4.599 1.00 0.40 N ATOM 1310 CA VAL A 85 7.530 1.640 -4.065 1.00 0.38 C ATOM 1311 C VAL A 85 8.030 0.412 -4.806 1.00 0.37 C ATOM 1312 O VAL A 85 8.616 -0.458 -4.184 1.00 0.44 O ATOM 1313 CB VAL A 85 5.994 1.766 -4.038 1.00 0.37 C ATOM 1314 CG1 VAL A 85 5.232 0.438 -4.156 1.00 0.69 C ATOM 1315 CG2 VAL A 85 5.655 2.334 -2.665 1.00 0.60 C ATOM 0 H VAL A 85 7.528 3.545 -4.957 1.00 0.40 H new ATOM 0 HA VAL A 85 7.816 1.522 -3.020 1.00 0.38 H new ATOM 0 HB VAL A 85 5.699 2.374 -4.893 1.00 0.37 H new ATOM 0 HG11 VAL A 85 4.159 0.630 -4.127 1.00 0.69 H new ATOM 0 HG12 VAL A 85 5.489 -0.046 -5.098 1.00 0.69 H new ATOM 0 HG13 VAL A 85 5.506 -0.214 -3.326 1.00 0.69 H new ATOM 0 HG21 VAL A 85 4.575 2.450 -2.576 1.00 0.60 H new ATOM 0 HG22 VAL A 85 6.012 1.654 -1.892 1.00 0.60 H new ATOM 0 HG23 VAL A 85 6.136 3.305 -2.544 1.00 0.60 H new ATOM 1325 N GLN A 86 7.826 0.325 -6.117 1.00 0.41 N ATOM 1326 CA GLN A 86 8.093 -0.880 -6.883 1.00 0.47 C ATOM 1327 C GLN A 86 9.512 -1.383 -6.638 1.00 0.45 C ATOM 1328 O GLN A 86 9.707 -2.554 -6.330 1.00 0.53 O ATOM 1329 CB GLN A 86 7.860 -0.593 -8.378 1.00 0.60 C ATOM 1330 CG GLN A 86 6.381 -0.318 -8.677 1.00 1.63 C ATOM 1331 CD GLN A 86 6.111 0.282 -10.056 1.00 3.07 C ATOM 1332 OE1 GLN A 86 5.645 1.412 -10.194 1.00 4.59 O ATOM 1333 NE2 GLN A 86 6.385 -0.470 -11.115 1.00 3.21 N ATOM 0 H GLN A 86 7.468 1.097 -6.679 1.00 0.41 H new ATOM 0 HA GLN A 86 7.411 -1.666 -6.559 1.00 0.47 H new ATOM 0 HB2 GLN A 86 8.459 0.266 -8.682 1.00 0.60 H new ATOM 0 HB3 GLN A 86 8.199 -1.443 -8.969 1.00 0.60 H new ATOM 0 HG2 GLN A 86 5.826 -1.252 -8.587 1.00 1.63 H new ATOM 0 HG3 GLN A 86 5.990 0.360 -7.918 1.00 1.63 H new ATOM 0 HE21 GLN A 86 6.771 -1.406 -10.990 1.00 3.21 H new ATOM 0 HE22 GLN A 86 6.209 -0.112 -12.054 1.00 3.21 H new ATOM 1342 N LYS A 87 10.517 -0.515 -6.758 1.00 0.40 N ATOM 1343 CA LYS A 87 11.894 -0.937 -6.553 1.00 0.43 C ATOM 1344 C LYS A 87 12.121 -1.368 -5.103 1.00 0.44 C ATOM 1345 O LYS A 87 12.843 -2.328 -4.858 1.00 0.49 O ATOM 1346 CB LYS A 87 12.881 0.142 -7.032 1.00 0.52 C ATOM 1347 CG LYS A 87 13.285 1.111 -5.916 1.00 1.41 C ATOM 1348 CD LYS A 87 14.330 2.119 -6.388 1.00 1.18 C ATOM 1349 CE LYS A 87 14.995 2.780 -5.174 1.00 2.97 C ATOM 1350 NZ LYS A 87 15.735 1.813 -4.329 1.00 3.40 N ATOM 0 H LYS A 87 10.402 0.471 -6.993 1.00 0.40 H new ATOM 0 HA LYS A 87 12.088 -1.816 -7.167 1.00 0.43 H new ATOM 0 HB2 LYS A 87 13.774 -0.339 -7.430 1.00 0.52 H new ATOM 0 HB3 LYS A 87 12.430 0.704 -7.850 1.00 0.52 H new ATOM 0 HG2 LYS A 87 12.403 1.643 -5.560 1.00 1.41 H new ATOM 0 HG3 LYS A 87 13.680 0.547 -5.071 1.00 1.41 H new ATOM 0 HD2 LYS A 87 15.081 1.619 -6.999 1.00 1.18 H new ATOM 0 HD3 LYS A 87 13.861 2.877 -7.016 1.00 1.18 H new ATOM 0 HE2 LYS A 87 15.681 3.555 -5.518 1.00 2.97 H new ATOM 0 HE3 LYS A 87 14.233 3.274 -4.571 1.00 2.97 H new ATOM 0 HZ1 LYS A 87 16.554 2.286 -3.897 1.00 3.40 H new ATOM 0 HZ2 LYS A 87 15.108 1.455 -3.581 1.00 3.40 H new ATOM 0 HZ3 LYS A 87 16.063 1.019 -4.916 1.00 3.40 H new ATOM 1364 N ASN A 88 11.559 -0.637 -4.135 1.00 0.44 N ATOM 1365 CA ASN A 88 11.766 -0.934 -2.721 1.00 0.44 C ATOM 1366 C ASN A 88 10.869 -2.087 -2.269 1.00 0.52 C ATOM 1367 O ASN A 88 10.985 -2.532 -1.131 1.00 0.85 O ATOM 1368 CB ASN A 88 11.478 0.300 -1.848 1.00 0.45 C ATOM 1369 CG ASN A 88 12.448 1.456 -2.070 1.00 0.47 C ATOM 1370 OD1 ASN A 88 13.530 1.300 -2.635 1.00 0.83 O ATOM 1371 ND2 ASN A 88 12.094 2.647 -1.602 1.00 1.07 N ATOM 0 H ASN A 88 10.956 0.167 -4.310 1.00 0.44 H new ATOM 0 HA ASN A 88 12.811 -1.221 -2.600 1.00 0.44 H new ATOM 0 HB2 ASN A 88 10.464 0.646 -2.049 1.00 0.45 H new ATOM 0 HB3 ASN A 88 11.513 0.006 -0.799 1.00 0.45 H new ATOM 0 HD21 ASN A 88 12.721 3.444 -1.709 1.00 1.07 H new ATOM 0 HD22 ASN A 88 11.195 2.765 -1.135 1.00 1.07 H new ATOM 1378 N ALA A 89 9.937 -2.532 -3.113 1.00 0.37 N ATOM 1379 CA ALA A 89 8.890 -3.455 -2.735 1.00 0.39 C ATOM 1380 C ALA A 89 8.291 -4.128 -3.967 1.00 0.45 C ATOM 1381 O ALA A 89 7.091 -3.994 -4.224 1.00 0.51 O ATOM 1382 CB ALA A 89 7.791 -2.673 -2.020 1.00 0.40 C ATOM 0 H ALA A 89 9.896 -2.251 -4.093 1.00 0.37 H new ATOM 0 HA ALA A 89 9.310 -4.223 -2.085 1.00 0.39 H new ATOM 0 HB1 ALA A 89 6.992 -3.354 -1.727 1.00 0.40 H new ATOM 0 HB2 ALA A 89 8.204 -2.195 -1.132 1.00 0.40 H new ATOM 0 HB3 ALA A 89 7.392 -1.911 -2.690 1.00 0.40 H new ATOM 1388 N PRO A 90 9.087 -4.893 -4.717 1.00 0.56 N ATOM 1389 CA PRO A 90 8.640 -5.471 -5.972 1.00 0.70 C ATOM 1390 C PRO A 90 7.434 -6.387 -5.743 1.00 0.91 C ATOM 1391 O PRO A 90 6.510 -6.438 -6.554 1.00 2.16 O ATOM 1392 CB PRO A 90 9.877 -6.171 -6.550 1.00 0.79 C ATOM 1393 CG PRO A 90 10.799 -6.391 -5.349 1.00 0.75 C ATOM 1394 CD PRO A 90 10.474 -5.212 -4.437 1.00 0.65 C ATOM 0 HA PRO A 90 8.273 -4.734 -6.687 1.00 0.70 H new ATOM 0 HB2 PRO A 90 9.611 -7.116 -7.023 1.00 0.79 H new ATOM 0 HB3 PRO A 90 10.359 -5.558 -7.311 1.00 0.79 H new ATOM 0 HG2 PRO A 90 10.601 -7.345 -4.860 1.00 0.75 H new ATOM 0 HG3 PRO A 90 11.849 -6.395 -5.643 1.00 0.75 H new ATOM 0 HD2 PRO A 90 10.615 -5.473 -3.388 1.00 0.65 H new ATOM 0 HD3 PRO A 90 11.124 -4.362 -4.644 1.00 0.65 H new ATOM 1402 N LYS A 91 7.423 -7.094 -4.613 1.00 0.57 N ATOM 1403 CA LYS A 91 6.384 -8.053 -4.277 1.00 0.58 C ATOM 1404 C LYS A 91 5.116 -7.348 -3.790 1.00 0.56 C ATOM 1405 O LYS A 91 4.014 -7.691 -4.209 1.00 0.67 O ATOM 1406 CB LYS A 91 6.971 -9.022 -3.242 1.00 0.61 C ATOM 1407 CG LYS A 91 6.719 -10.490 -3.585 1.00 2.59 C ATOM 1408 CD LYS A 91 7.844 -11.329 -2.971 1.00 2.52 C ATOM 1409 CE LYS A 91 7.606 -12.809 -3.275 1.00 4.08 C ATOM 1410 NZ LYS A 91 8.878 -13.533 -3.481 1.00 4.66 N ATOM 0 H LYS A 91 8.147 -7.012 -3.899 1.00 0.57 H new ATOM 0 HA LYS A 91 6.074 -8.618 -5.156 1.00 0.58 H new ATOM 0 HB2 LYS A 91 8.045 -8.853 -3.163 1.00 0.61 H new ATOM 0 HB3 LYS A 91 6.541 -8.804 -2.264 1.00 0.61 H new ATOM 0 HG2 LYS A 91 5.752 -10.810 -3.197 1.00 2.59 H new ATOM 0 HG3 LYS A 91 6.690 -10.627 -4.666 1.00 2.59 H new ATOM 0 HD2 LYS A 91 8.807 -11.015 -3.374 1.00 2.52 H new ATOM 0 HD3 LYS A 91 7.883 -11.171 -1.893 1.00 2.52 H new ATOM 0 HE2 LYS A 91 7.055 -13.266 -2.453 1.00 4.08 H new ATOM 0 HE3 LYS A 91 6.985 -12.903 -4.166 1.00 4.08 H new ATOM 0 HZ1 LYS A 91 8.679 -14.533 -3.685 1.00 4.66 H new ATOM 0 HZ2 LYS A 91 9.391 -13.112 -4.281 1.00 4.66 H new ATOM 0 HZ3 LYS A 91 9.460 -13.464 -2.622 1.00 4.66 H new ATOM 1424 N THR A 92 5.244 -6.340 -2.922 1.00 0.46 N ATOM 1425 CA THR A 92 4.079 -5.588 -2.451 1.00 0.45 C ATOM 1426 C THR A 92 3.340 -4.969 -3.623 1.00 0.52 C ATOM 1427 O THR A 92 2.114 -4.989 -3.666 1.00 0.53 O ATOM 1428 CB THR A 92 4.477 -4.476 -1.485 1.00 0.37 C ATOM 1429 OG1 THR A 92 5.360 -5.002 -0.533 1.00 0.38 O ATOM 1430 CG2 THR A 92 3.289 -3.916 -0.704 1.00 0.43 C ATOM 0 H THR A 92 6.135 -6.028 -2.535 1.00 0.46 H new ATOM 0 HA THR A 92 3.434 -6.294 -1.929 1.00 0.45 H new ATOM 0 HB THR A 92 4.917 -3.680 -2.086 1.00 0.37 H new ATOM 0 HG1 THR A 92 5.475 -4.359 0.197 1.00 0.38 H new ATOM 0 HG21 THR A 92 3.633 -3.129 -0.033 1.00 0.43 H new ATOM 0 HG22 THR A 92 2.557 -3.506 -1.400 1.00 0.43 H new ATOM 0 HG23 THR A 92 2.828 -4.714 -0.121 1.00 0.43 H new ATOM 1438 N PHE A 93 4.074 -4.407 -4.584 1.00 0.57 N ATOM 1439 CA PHE A 93 3.429 -3.834 -5.750 1.00 0.66 C ATOM 1440 C PHE A 93 2.540 -4.838 -6.426 1.00 0.68 C ATOM 1441 O PHE A 93 1.373 -4.559 -6.684 1.00 0.68 O ATOM 1442 CB PHE A 93 4.460 -3.366 -6.758 1.00 0.79 C ATOM 1443 CG PHE A 93 3.852 -2.545 -7.874 1.00 1.11 C ATOM 1444 CD1 PHE A 93 3.517 -1.195 -7.651 1.00 1.30 C ATOM 1445 CD2 PHE A 93 3.645 -3.116 -9.144 1.00 2.45 C ATOM 1446 CE1 PHE A 93 3.043 -0.403 -8.711 1.00 1.44 C ATOM 1447 CE2 PHE A 93 3.127 -2.335 -10.190 1.00 2.74 C ATOM 1448 CZ PHE A 93 2.836 -0.977 -9.977 1.00 1.77 C ATOM 0 H PHE A 93 5.092 -4.340 -4.574 1.00 0.57 H new ATOM 0 HA PHE A 93 2.833 -2.990 -5.402 1.00 0.66 H new ATOM 0 HB2 PHE A 93 5.219 -2.773 -6.247 1.00 0.79 H new ATOM 0 HB3 PHE A 93 4.966 -4.233 -7.184 1.00 0.79 H new ATOM 0 HD1 PHE A 93 3.624 -0.768 -6.665 1.00 1.30 H new ATOM 0 HD2 PHE A 93 3.885 -4.155 -9.314 1.00 2.45 H new ATOM 0 HE1 PHE A 93 2.838 0.646 -8.553 1.00 1.44 H new ATOM 0 HE2 PHE A 93 2.952 -2.779 -11.159 1.00 2.74 H new ATOM 0 HZ PHE A 93 2.453 -0.374 -10.787 1.00 1.77 H new ATOM 1458 N GLN A 94 3.110 -6.006 -6.700 1.00 0.71 N ATOM 1459 CA GLN A 94 2.361 -7.072 -7.325 1.00 0.76 C ATOM 1460 C GLN A 94 1.046 -7.332 -6.578 1.00 0.63 C ATOM 1461 O GLN A 94 0.040 -7.639 -7.209 1.00 0.62 O ATOM 1462 CB GLN A 94 3.228 -8.333 -7.450 1.00 0.88 C ATOM 1463 CG GLN A 94 2.374 -9.556 -7.796 1.00 1.70 C ATOM 1464 CD GLN A 94 3.232 -10.769 -8.141 1.00 1.70 C ATOM 1465 OE1 GLN A 94 4.068 -11.200 -7.357 1.00 2.03 O ATOM 1466 NE2 GLN A 94 3.039 -11.345 -9.321 1.00 1.72 N ATOM 0 H GLN A 94 4.084 -6.231 -6.498 1.00 0.71 H new ATOM 0 HA GLN A 94 2.088 -6.767 -8.335 1.00 0.76 H new ATOM 0 HB2 GLN A 94 3.984 -8.184 -8.221 1.00 0.88 H new ATOM 0 HB3 GLN A 94 3.758 -8.508 -6.514 1.00 0.88 H new ATOM 0 HG2 GLN A 94 1.727 -9.797 -6.953 1.00 1.70 H new ATOM 0 HG3 GLN A 94 1.725 -9.319 -8.639 1.00 1.70 H new ATOM 0 HE21 GLN A 94 2.338 -10.973 -9.962 1.00 1.72 H new ATOM 0 HE22 GLN A 94 3.591 -12.160 -9.587 1.00 1.72 H new ATOM 1475 N PHE A 95 1.040 -7.202 -5.249 1.00 0.57 N ATOM 1476 CA PHE A 95 -0.132 -7.472 -4.424 1.00 0.50 C ATOM 1477 C PHE A 95 -1.297 -6.574 -4.854 1.00 0.46 C ATOM 1478 O PHE A 95 -2.363 -7.051 -5.242 1.00 0.50 O ATOM 1479 CB PHE A 95 0.249 -7.278 -2.946 1.00 0.48 C ATOM 1480 CG PHE A 95 -0.676 -7.917 -1.937 1.00 0.59 C ATOM 1481 CD1 PHE A 95 -1.994 -7.449 -1.790 1.00 0.63 C ATOM 1482 CD2 PHE A 95 -0.200 -8.946 -1.104 1.00 0.81 C ATOM 1483 CE1 PHE A 95 -2.839 -8.027 -0.825 1.00 0.82 C ATOM 1484 CE2 PHE A 95 -1.039 -9.515 -0.133 1.00 0.98 C ATOM 1485 CZ PHE A 95 -2.361 -9.059 0.002 1.00 0.96 C ATOM 0 H PHE A 95 1.856 -6.904 -4.715 1.00 0.57 H new ATOM 0 HA PHE A 95 -0.466 -8.501 -4.555 1.00 0.50 H new ATOM 0 HB2 PHE A 95 1.252 -7.677 -2.794 1.00 0.48 H new ATOM 0 HB3 PHE A 95 0.296 -6.209 -2.740 1.00 0.48 H new ATOM 0 HD1 PHE A 95 -2.357 -6.648 -2.417 1.00 0.63 H new ATOM 0 HD2 PHE A 95 0.815 -9.299 -1.212 1.00 0.81 H new ATOM 0 HE1 PHE A 95 -3.856 -7.678 -0.719 1.00 0.82 H new ATOM 0 HE2 PHE A 95 -0.669 -10.301 0.509 1.00 0.98 H new ATOM 0 HZ PHE A 95 -3.011 -9.502 0.742 1.00 0.96 H new ATOM 1495 N ILE A 96 -1.106 -5.256 -4.795 1.00 0.46 N ATOM 1496 CA ILE A 96 -2.127 -4.300 -5.201 1.00 0.53 C ATOM 1497 C ILE A 96 -2.427 -4.472 -6.689 1.00 0.57 C ATOM 1498 O ILE A 96 -3.569 -4.303 -7.106 1.00 0.67 O ATOM 1499 CB ILE A 96 -1.696 -2.859 -4.866 1.00 0.58 C ATOM 1500 CG1 ILE A 96 -1.697 -2.619 -3.345 1.00 0.73 C ATOM 1501 CG2 ILE A 96 -2.658 -1.822 -5.446 1.00 0.67 C ATOM 1502 CD1 ILE A 96 -0.367 -2.972 -2.695 1.00 0.88 C ATOM 0 H ILE A 96 -0.242 -4.826 -4.465 1.00 0.46 H new ATOM 0 HA ILE A 96 -3.043 -4.494 -4.643 1.00 0.53 H new ATOM 0 HB ILE A 96 -0.700 -2.748 -5.294 1.00 0.58 H new ATOM 0 HG12 ILE A 96 -1.928 -1.572 -3.146 1.00 0.73 H new ATOM 0 HG13 ILE A 96 -2.489 -3.212 -2.888 1.00 0.73 H new ATOM 0 HG21 ILE A 96 -2.315 -0.821 -5.185 1.00 0.67 H new ATOM 0 HG22 ILE A 96 -2.691 -1.923 -6.531 1.00 0.67 H new ATOM 0 HG23 ILE A 96 -3.655 -1.982 -5.036 1.00 0.67 H new ATOM 0 HD11 ILE A 96 -0.425 -2.783 -1.623 1.00 0.88 H new ATOM 0 HD12 ILE A 96 -0.146 -4.026 -2.867 1.00 0.88 H new ATOM 0 HD13 ILE A 96 0.424 -2.360 -3.129 1.00 0.88 H new ATOM 1514 N ASN A 97 -1.419 -4.797 -7.498 1.00 0.60 N ATOM 1515 CA ASN A 97 -1.586 -4.965 -8.931 1.00 0.69 C ATOM 1516 C ASN A 97 -2.537 -6.132 -9.220 1.00 0.66 C ATOM 1517 O ASN A 97 -3.209 -6.131 -10.245 1.00 0.80 O ATOM 1518 CB ASN A 97 -0.216 -5.168 -9.600 1.00 0.80 C ATOM 1519 CG ASN A 97 -0.188 -4.784 -11.078 1.00 1.05 C ATOM 1520 OD1 ASN A 97 0.636 -3.977 -11.490 1.00 2.00 O ATOM 1521 ND2 ASN A 97 -1.050 -5.343 -11.914 1.00 1.57 N ATOM 0 H ASN A 97 -0.465 -4.950 -7.172 1.00 0.60 H new ATOM 0 HA ASN A 97 -2.032 -4.064 -9.352 1.00 0.69 H new ATOM 0 HB2 ASN A 97 0.529 -4.578 -9.067 1.00 0.80 H new ATOM 0 HB3 ASN A 97 0.075 -6.214 -9.500 1.00 0.80 H new ATOM 0 HD21 ASN A 97 -1.029 -5.102 -12.905 1.00 1.57 H new ATOM 0 HD22 ASN A 97 -1.735 -6.015 -11.567 1.00 1.57 H new ATOM 1528 N ASP A 98 -2.580 -7.138 -8.346 1.00 0.57 N ATOM 1529 CA ASP A 98 -3.526 -8.243 -8.455 1.00 0.62 C ATOM 1530 C ASP A 98 -4.931 -7.751 -8.132 1.00 0.65 C ATOM 1531 O ASP A 98 -5.898 -8.069 -8.821 1.00 0.78 O ATOM 1532 CB ASP A 98 -3.142 -9.356 -7.475 1.00 0.71 C ATOM 1533 CG ASP A 98 -3.729 -10.695 -7.908 1.00 1.25 C ATOM 1534 OD1 ASP A 98 -3.328 -11.160 -8.998 1.00 1.69 O ATOM 1535 OD2 ASP A 98 -4.547 -11.244 -7.138 1.00 2.56 O ATOM 0 H ASP A 98 -1.957 -7.207 -7.541 1.00 0.57 H new ATOM 0 HA ASP A 98 -3.501 -8.632 -9.473 1.00 0.62 H new ATOM 0 HB2 ASP A 98 -2.056 -9.434 -7.415 1.00 0.71 H new ATOM 0 HB3 ASP A 98 -3.499 -9.105 -6.476 1.00 0.71 H new ATOM 1540 N GLN A 99 -5.039 -6.980 -7.048 1.00 0.61 N ATOM 1541 CA GLN A 99 -6.309 -6.505 -6.525 1.00 0.74 C ATOM 1542 C GLN A 99 -7.042 -5.610 -7.530 1.00 0.83 C ATOM 1543 O GLN A 99 -8.234 -5.789 -7.782 1.00 2.02 O ATOM 1544 CB GLN A 99 -6.075 -5.752 -5.202 1.00 1.07 C ATOM 1545 CG GLN A 99 -6.297 -6.637 -3.972 1.00 1.40 C ATOM 1546 CD GLN A 99 -7.783 -6.750 -3.642 1.00 2.17 C ATOM 1547 OE1 GLN A 99 -8.353 -5.869 -3.012 1.00 3.37 O ATOM 1548 NE2 GLN A 99 -8.446 -7.816 -4.072 1.00 2.42 N ATOM 0 H GLN A 99 -4.233 -6.667 -6.506 1.00 0.61 H new ATOM 0 HA GLN A 99 -6.945 -7.371 -6.343 1.00 0.74 H new ATOM 0 HB2 GLN A 99 -5.057 -5.362 -5.185 1.00 1.07 H new ATOM 0 HB3 GLN A 99 -6.746 -4.894 -5.153 1.00 1.07 H new ATOM 0 HG2 GLN A 99 -5.885 -7.629 -4.154 1.00 1.40 H new ATOM 0 HG3 GLN A 99 -5.762 -6.221 -3.119 1.00 1.40 H new ATOM 0 HE21 GLN A 99 -7.958 -8.543 -4.596 1.00 2.42 H new ATOM 0 HE22 GLN A 99 -9.443 -7.909 -3.879 1.00 2.42 H new ATOM 1557 N ILE A 100 -6.365 -4.581 -8.042 1.00 1.52 N ATOM 1558 CA ILE A 100 -6.997 -3.597 -8.906 1.00 1.53 C ATOM 1559 C ILE A 100 -7.185 -4.243 -10.283 1.00 2.23 C ATOM 1560 O ILE A 100 -6.240 -4.453 -11.038 1.00 3.84 O ATOM 1561 CB ILE A 100 -6.203 -2.274 -8.868 1.00 3.45 C ATOM 1562 CG1 ILE A 100 -7.099 -1.062 -9.185 1.00 4.38 C ATOM 1563 CG2 ILE A 100 -4.911 -2.269 -9.697 1.00 4.72 C ATOM 1564 CD1 ILE A 100 -7.734 -1.050 -10.579 1.00 4.29 C ATOM 0 H ILE A 100 -5.374 -4.412 -7.869 1.00 1.52 H new ATOM 0 HA ILE A 100 -7.992 -3.307 -8.569 1.00 1.53 H new ATOM 0 HB ILE A 100 -5.862 -2.184 -7.837 1.00 3.45 H new ATOM 0 HG12 ILE A 100 -7.896 -1.019 -8.443 1.00 4.38 H new ATOM 0 HG13 ILE A 100 -6.506 -0.155 -9.069 1.00 4.38 H new ATOM 0 HG21 ILE A 100 -4.425 -1.298 -9.607 1.00 4.72 H new ATOM 0 HG22 ILE A 100 -4.240 -3.046 -9.330 1.00 4.72 H new ATOM 0 HG23 ILE A 100 -5.149 -2.460 -10.743 1.00 4.72 H new ATOM 0 HD11 ILE A 100 -8.343 -0.153 -10.694 1.00 4.29 H new ATOM 0 HD12 ILE A 100 -6.950 -1.055 -11.336 1.00 4.29 H new ATOM 0 HD13 ILE A 100 -8.362 -1.933 -10.701 1.00 4.29 H new ATOM 1576 N LYS A 101 -8.421 -4.637 -10.579 1.00 2.63 N ATOM 1577 CA LYS A 101 -8.706 -5.536 -11.695 1.00 4.57 C ATOM 1578 C LYS A 101 -10.131 -5.333 -12.190 1.00 4.94 C ATOM 1579 O LYS A 101 -10.374 -5.310 -13.392 1.00 6.02 O ATOM 1580 CB LYS A 101 -8.474 -6.982 -11.222 1.00 5.84 C ATOM 1581 CG LYS A 101 -7.803 -7.877 -12.268 1.00 7.28 C ATOM 1582 CD LYS A 101 -8.708 -8.274 -13.437 1.00 8.43 C ATOM 1583 CE LYS A 101 -8.059 -9.494 -14.103 1.00 9.69 C ATOM 1584 NZ LYS A 101 -8.648 -9.806 -15.422 1.00 10.55 N ATOM 0 H LYS A 101 -9.247 -4.345 -10.057 1.00 2.63 H new ATOM 0 HA LYS A 101 -8.043 -5.322 -12.533 1.00 4.57 H new ATOM 0 HB2 LYS A 101 -7.858 -6.965 -10.323 1.00 5.84 H new ATOM 0 HB3 LYS A 101 -9.432 -7.421 -10.943 1.00 5.84 H new ATOM 0 HG2 LYS A 101 -6.927 -7.361 -12.662 1.00 7.28 H new ATOM 0 HG3 LYS A 101 -7.446 -8.783 -11.778 1.00 7.28 H new ATOM 0 HD2 LYS A 101 -9.712 -8.513 -13.085 1.00 8.43 H new ATOM 0 HD3 LYS A 101 -8.806 -7.452 -14.147 1.00 8.43 H new ATOM 0 HE2 LYS A 101 -6.991 -9.313 -14.221 1.00 9.69 H new ATOM 0 HE3 LYS A 101 -8.165 -10.359 -13.449 1.00 9.69 H new ATOM 0 HZ1 LYS A 101 -8.173 -10.638 -15.826 1.00 10.55 H new ATOM 0 HZ2 LYS A 101 -9.662 -10.007 -15.311 1.00 10.55 H new ATOM 0 HZ3 LYS A 101 -8.524 -8.993 -16.059 1.00 10.55 H new ATOM 1598 N PHE A 102 -11.069 -5.200 -11.250 1.00 4.48 N ATOM 1599 CA PHE A 102 -12.476 -4.948 -11.528 1.00 4.97 C ATOM 1600 C PHE A 102 -13.008 -3.868 -10.588 1.00 4.30 C ATOM 1601 O PHE A 102 -13.709 -2.960 -11.024 1.00 4.17 O ATOM 1602 CB PHE A 102 -13.279 -6.251 -11.393 1.00 5.68 C ATOM 1603 CG PHE A 102 -14.112 -6.574 -12.616 1.00 6.41 C ATOM 1604 CD1 PHE A 102 -15.272 -5.828 -12.895 1.00 6.35 C ATOM 1605 CD2 PHE A 102 -13.725 -7.616 -13.479 1.00 7.65 C ATOM 1606 CE1 PHE A 102 -16.049 -6.132 -14.027 1.00 7.36 C ATOM 1607 CE2 PHE A 102 -14.502 -7.919 -14.611 1.00 8.54 C ATOM 1608 CZ PHE A 102 -15.665 -7.179 -14.883 1.00 8.33 C ATOM 0 H PHE A 102 -10.862 -5.267 -10.253 1.00 4.48 H new ATOM 0 HA PHE A 102 -12.585 -4.589 -12.551 1.00 4.97 H new ATOM 0 HB2 PHE A 102 -12.591 -7.075 -11.203 1.00 5.68 H new ATOM 0 HB3 PHE A 102 -13.935 -6.177 -10.525 1.00 5.68 H new ATOM 0 HD1 PHE A 102 -15.566 -5.022 -12.239 1.00 6.35 H new ATOM 0 HD2 PHE A 102 -12.830 -8.184 -13.272 1.00 7.65 H new ATOM 0 HE1 PHE A 102 -16.941 -5.561 -14.239 1.00 7.36 H new ATOM 0 HE2 PHE A 102 -14.205 -8.720 -15.271 1.00 8.54 H new ATOM 0 HZ PHE A 102 -16.264 -7.415 -15.750 1.00 8.33 H new ATOM 1618 N ILE A 103 -12.703 -3.976 -9.290 1.00 4.56 N ATOM 1619 CA ILE A 103 -13.128 -2.987 -8.311 1.00 4.13 C ATOM 1620 C ILE A 103 -12.522 -1.623 -8.663 1.00 4.68 C ATOM 1621 O ILE A 103 -11.347 -1.539 -9.018 1.00 5.82 O ATOM 1622 CB ILE A 103 -12.789 -3.484 -6.893 1.00 4.26 C ATOM 1623 CG1 ILE A 103 -13.607 -2.773 -5.804 1.00 3.76 C ATOM 1624 CG2 ILE A 103 -11.299 -3.318 -6.608 1.00 5.20 C ATOM 1625 CD1 ILE A 103 -15.060 -3.257 -5.775 1.00 4.22 C ATOM 0 H ILE A 103 -12.160 -4.745 -8.898 1.00 4.56 H new ATOM 0 HA ILE A 103 -14.209 -2.852 -8.333 1.00 4.13 H new ATOM 0 HB ILE A 103 -13.054 -4.541 -6.863 1.00 4.26 H new ATOM 0 HG12 ILE A 103 -13.147 -2.948 -4.832 1.00 3.76 H new ATOM 0 HG13 ILE A 103 -13.586 -1.697 -5.978 1.00 3.76 H new ATOM 0 HG21 ILE A 103 -11.079 -3.675 -5.602 1.00 5.20 H new ATOM 0 HG22 ILE A 103 -10.724 -3.896 -7.331 1.00 5.20 H new ATOM 0 HG23 ILE A 103 -11.029 -2.265 -6.687 1.00 5.20 H new ATOM 0 HD11 ILE A 103 -15.604 -2.729 -4.991 1.00 4.22 H new ATOM 0 HD12 ILE A 103 -15.529 -3.058 -6.739 1.00 4.22 H new ATOM 0 HD13 ILE A 103 -15.083 -4.328 -5.574 1.00 4.22 H new ATOM 1637 N ILE A 104 -13.322 -0.557 -8.572 1.00 4.33 N ATOM 1638 CA ILE A 104 -12.853 0.802 -8.812 1.00 5.15 C ATOM 1639 C ILE A 104 -13.746 1.790 -8.063 1.00 4.47 C ATOM 1640 O ILE A 104 -13.253 2.609 -7.291 1.00 5.03 O ATOM 1641 CB ILE A 104 -12.758 1.084 -10.329 1.00 6.47 C ATOM 1642 CG1 ILE A 104 -12.226 2.496 -10.630 1.00 7.73 C ATOM 1643 CG2 ILE A 104 -14.083 0.888 -11.084 1.00 6.33 C ATOM 1644 CD1 ILE A 104 -10.784 2.694 -10.151 1.00 9.29 C ATOM 0 H ILE A 104 -14.311 -0.616 -8.330 1.00 4.33 H new ATOM 0 HA ILE A 104 -11.843 0.926 -8.422 1.00 5.15 H new ATOM 0 HB ILE A 104 -12.050 0.338 -10.690 1.00 6.47 H new ATOM 0 HG12 ILE A 104 -12.277 2.679 -11.703 1.00 7.73 H new ATOM 0 HG13 ILE A 104 -12.869 3.233 -10.150 1.00 7.73 H new ATOM 0 HG21 ILE A 104 -13.935 1.105 -12.142 1.00 6.33 H new ATOM 0 HG22 ILE A 104 -14.419 -0.143 -10.968 1.00 6.33 H new ATOM 0 HG23 ILE A 104 -14.837 1.563 -10.678 1.00 6.33 H new ATOM 0 HD11 ILE A 104 -10.458 3.707 -10.388 1.00 9.29 H new ATOM 0 HD12 ILE A 104 -10.734 2.540 -9.073 1.00 9.29 H new ATOM 0 HD13 ILE A 104 -10.133 1.977 -10.651 1.00 9.29 H new ATOM 1656 N ASN A 105 -15.060 1.718 -8.284 1.00 4.23 N ATOM 1657 CA ASN A 105 -16.049 2.541 -7.604 1.00 4.49 C ATOM 1658 C ASN A 105 -17.396 1.822 -7.693 1.00 5.17 C ATOM 1659 O ASN A 105 -17.481 0.793 -8.367 1.00 5.85 O ATOM 1660 CB ASN A 105 -16.119 3.925 -8.270 1.00 4.98 C ATOM 1661 CG ASN A 105 -16.279 5.009 -7.216 1.00 5.93 C ATOM 1662 OD1 ASN A 105 -17.015 4.839 -6.254 1.00 6.43 O ATOM 1663 ND2 ASN A 105 -15.569 6.121 -7.357 1.00 6.98 N ATOM 0 H ASN A 105 -15.470 1.070 -8.957 1.00 4.23 H new ATOM 0 HA ASN A 105 -15.780 2.689 -6.558 1.00 4.49 H new ATOM 0 HB2 ASN A 105 -15.214 4.103 -8.850 1.00 4.98 H new ATOM 0 HB3 ASN A 105 -16.956 3.959 -8.967 1.00 4.98 H new ATOM 0 HD21 ASN A 105 -15.630 6.858 -6.654 1.00 6.98 H new ATOM 0 HD22 ASN A 105 -14.962 6.239 -8.168 1.00 6.98 H new ATOM 1670 N SER A 106 -18.444 2.353 -7.063 1.00 5.97 N ATOM 1671 CA SER A 106 -19.799 1.861 -7.260 1.00 7.40 C ATOM 1672 C SER A 106 -20.769 2.966 -6.856 1.00 7.79 C ATOM 1673 O SER A 106 -20.637 4.060 -7.441 1.00 7.79 O ATOM 1674 CB SER A 106 -20.016 0.554 -6.482 1.00 8.88 C ATOM 1675 OG SER A 106 -19.869 0.756 -5.092 1.00 9.56 O ATOM 1676 OXT SER A 106 -21.569 2.709 -5.928 1.00 8.52 O ATOM 0 H SER A 106 -18.374 3.131 -6.407 1.00 5.97 H new ATOM 0 HA SER A 106 -19.977 1.616 -8.307 1.00 7.40 H new ATOM 0 HB2 SER A 106 -21.012 0.164 -6.692 1.00 8.88 H new ATOM 0 HB3 SER A 106 -19.302 -0.197 -6.821 1.00 8.88 H new ATOM 0 HG SER A 106 -20.341 1.574 -4.829 1.00 9.56 H new TER 1682 SER A 106