USER MOD reduce.3.24.130724 H: found=0, std=0, add=1403, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1403 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: B 34 SER OG : rot 98:sc= 1.3 USER MOD Set 1.2: B 60 MET CE :methyl -157:sc= -0.071 (180deg=-0.108) USER MOD Set 2.1: B 48 HIS : no HE2:sc= 0.801 K(o=3.9,f=-6.6!) USER MOD Set 2.2: B 51 LYS NZ :NH3+ 179:sc= 3.11 (180deg=1.9) USER MOD Set 3.1: B 44 GLN : amide:sc= 1.17 K(o=1.8,f=-0.31) USER MOD Set 3.2: B 45 GLN : amide:sc= 0.678 K(o=1.8,f=-1.2!) USER MOD Set 4.1: A 85 LYS NZ :NH3+ -174:sc= 2.23 (180deg=1.18) USER MOD Set 4.2: B 74 ASN : amide:sc= 1.69 K(o=3.9,f=-6.8!) USER MOD Set 5.1: A 60 MET CE :methyl 180:sc= -0.225 (180deg=-0.225) USER MOD Set 5.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 44 GLN : amide:sc= 1.14 K(o=3.3,f=1.1) USER MOD Set 6.2: A 45 GLN : amide:sc= 2.12 K(o=3.3,f=-2.9) USER MOD Set 7.1: A 39 LYS NZ :NH3+ -169:sc= 1.17 (180deg=-0.0678) USER MOD Set 7.2: A 43 THR OG1 : rot 78:sc= 2.11 USER MOD Single : A 7 THR OG1 : rot -164:sc= 0.96 USER MOD Single : A 12 SER OG : rot -90:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -135:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0498 X(o=0.05,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -140:sc= 0 USER MOD Single : A 34 SER OG : rot -149:sc= 1.11 USER MOD Single : A 36 ASN : amide:sc= 2.35 K(o=2.3,f=-0.21) USER MOD Single : A 48 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.1) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 2.27 (180deg=1.29) USER MOD Single : A 55 SER OG : rot -141:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 1.07 (180deg=0.437) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.1) USER MOD Single : A 62 SER OG : rot 69:sc= 1.07 USER MOD Single : A 66 ASN : amide:sc= 1.21 K(o=1.2,f=-2.4!) USER MOD Single : A 67 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 76 TYR OH : rot 142:sc= -1.07 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : B 12 SER OG : rot -1:sc= 0.359 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 84:sc= 1.16 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.153 USER MOD Single : B 26 GLN : amide:sc= 1.09 K(o=1.1,f=-0.61) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -166:sc= 1.26 USER MOD Single : B 36 ASN : amide:sc= 0.679 K(o=0.68,f=-0.071) USER MOD Single : B 39 LYS NZ :NH3+ 139:sc= 1.08 (180deg=-2.87!) USER MOD Single : B 43 THR OG1 : rot 87:sc= 1.21 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -157:sc= 2.34 (180deg=2.21) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 73:sc= 1.13 USER MOD Single : B 66 ASN : amide:sc= 0.7 K(o=0.7,f=-0.61) USER MOD Single : B 67 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ 171:sc= 1.64 (180deg=1.61) USER MOD Single : B 89 LYS NZ :NH3+ 154:sc= 2.2 (180deg=0.529) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 6.909 -16.355 -16.419 1.00 1.57 N ATOM 41 CA GLU A 4 7.313 -16.779 -15.092 1.00 1.57 C ATOM 42 C GLU A 4 6.257 -16.376 -14.052 1.00 1.53 C ATOM 43 O GLU A 4 5.895 -15.202 -13.994 1.00 1.57 O ATOM 44 CB GLU A 4 8.685 -16.169 -14.780 1.00 2.02 C ATOM 45 CG GLU A 4 9.739 -16.640 -15.795 1.00 2.68 C ATOM 46 CD GLU A 4 11.088 -15.992 -15.524 1.00 3.49 C ATOM 47 OE1 GLU A 4 11.813 -16.536 -14.665 1.00 4.66 O ATOM 48 OE2 GLU A 4 11.360 -14.967 -16.183 1.00 4.04 O ATOM 0 HA GLU A 4 7.394 -17.865 -15.053 1.00 1.57 H new ATOM 0 HB2 GLU A 4 8.617 -15.081 -14.799 1.00 2.02 H new ATOM 0 HB3 GLU A 4 8.992 -16.451 -13.773 1.00 2.02 H new ATOM 0 HG2 GLU A 4 9.837 -17.725 -15.746 1.00 2.68 H new ATOM 0 HG3 GLU A 4 9.411 -16.395 -16.805 1.00 2.68 H new ATOM 55 N PRO A 5 5.748 -17.315 -13.237 1.00 1.73 N ATOM 56 CA PRO A 5 4.772 -17.004 -12.207 1.00 1.89 C ATOM 57 C PRO A 5 5.463 -16.251 -11.067 1.00 1.70 C ATOM 58 O PRO A 5 6.309 -16.809 -10.372 1.00 1.99 O ATOM 59 CB PRO A 5 4.211 -18.357 -11.758 1.00 2.37 C ATOM 60 CG PRO A 5 5.368 -19.324 -12.008 1.00 2.43 C ATOM 61 CD PRO A 5 6.064 -18.735 -13.236 1.00 2.07 C ATOM 0 HA PRO A 5 3.966 -16.359 -12.557 1.00 1.89 H new ATOM 0 HB2 PRO A 5 3.920 -18.342 -10.708 1.00 2.37 H new ATOM 0 HB3 PRO A 5 3.326 -18.634 -12.330 1.00 2.37 H new ATOM 0 HG2 PRO A 5 6.040 -19.376 -11.152 1.00 2.43 H new ATOM 0 HG3 PRO A 5 5.012 -20.337 -12.195 1.00 2.43 H new ATOM 0 HD2 PRO A 5 7.141 -18.894 -13.187 1.00 2.07 H new ATOM 0 HD3 PRO A 5 5.712 -19.213 -14.150 1.00 2.07 H new ATOM 69 N LEU A 6 5.109 -14.978 -10.885 1.00 1.38 N ATOM 70 CA LEU A 6 5.637 -14.153 -9.809 1.00 1.34 C ATOM 71 C LEU A 6 5.104 -14.638 -8.456 1.00 1.32 C ATOM 72 O LEU A 6 4.137 -15.398 -8.389 1.00 1.38 O ATOM 73 CB LEU A 6 5.265 -12.687 -10.071 1.00 1.44 C ATOM 74 CG LEU A 6 5.898 -12.131 -11.361 1.00 1.22 C ATOM 75 CD1 LEU A 6 5.208 -10.810 -11.723 1.00 1.40 C ATOM 76 CD2 LEU A 6 7.400 -11.875 -11.184 1.00 1.38 C ATOM 0 H LEU A 6 4.444 -14.492 -11.486 1.00 1.38 H new ATOM 0 HA LEU A 6 6.723 -14.235 -9.778 1.00 1.34 H new ATOM 0 HB2 LEU A 6 4.181 -12.598 -10.137 1.00 1.44 H new ATOM 0 HB3 LEU A 6 5.584 -12.079 -9.224 1.00 1.44 H new ATOM 0 HG LEU A 6 5.767 -12.868 -12.153 1.00 1.22 H new ATOM 0 HD11 LEU A 6 5.649 -10.407 -12.635 1.00 1.40 H new ATOM 0 HD12 LEU A 6 4.144 -10.987 -11.881 1.00 1.40 H new ATOM 0 HD13 LEU A 6 5.340 -10.096 -10.910 1.00 1.40 H new ATOM 0 HD21 LEU A 6 7.814 -11.483 -12.113 1.00 1.38 H new ATOM 0 HD22 LEU A 6 7.554 -11.151 -10.384 1.00 1.38 H new ATOM 0 HD23 LEU A 6 7.901 -12.809 -10.929 1.00 1.38 H new ATOM 88 N THR A 7 5.741 -14.200 -7.367 1.00 1.28 N ATOM 89 CA THR A 7 5.294 -14.534 -6.020 1.00 1.29 C ATOM 90 C THR A 7 4.076 -13.679 -5.674 1.00 1.15 C ATOM 91 O THR A 7 3.827 -12.656 -6.310 1.00 1.22 O ATOM 92 CB THR A 7 6.436 -14.379 -5.001 1.00 1.36 C ATOM 93 OG1 THR A 7 5.989 -14.679 -3.691 1.00 2.00 O ATOM 94 CG2 THR A 7 6.995 -12.963 -5.007 1.00 1.00 C ATOM 0 H THR A 7 6.572 -13.610 -7.397 1.00 1.28 H new ATOM 0 HA THR A 7 4.997 -15.582 -5.979 1.00 1.29 H new ATOM 0 HB THR A 7 7.219 -15.079 -5.294 1.00 1.36 H new ATOM 0 HG1 THR A 7 6.636 -14.337 -3.039 1.00 2.00 H new ATOM 0 HG21 THR A 7 7.800 -12.887 -4.276 1.00 1.00 H new ATOM 0 HG22 THR A 7 7.382 -12.729 -5.999 1.00 1.00 H new ATOM 0 HG23 THR A 7 6.204 -12.258 -4.750 1.00 1.00 H new ATOM 102 N GLU A 8 3.327 -14.099 -4.654 1.00 1.20 N ATOM 103 CA GLU A 8 2.022 -13.555 -4.322 1.00 1.20 C ATOM 104 C GLU A 8 2.096 -12.046 -4.082 1.00 1.08 C ATOM 105 O GLU A 8 1.364 -11.275 -4.696 1.00 1.09 O ATOM 106 CB GLU A 8 1.473 -14.326 -3.117 1.00 1.37 C ATOM 107 CG GLU A 8 0.004 -14.003 -2.836 1.00 1.66 C ATOM 108 CD GLU A 8 -0.538 -14.945 -1.767 1.00 1.90 C ATOM 109 OE1 GLU A 8 0.148 -15.060 -0.728 1.00 2.33 O ATOM 110 OE2 GLU A 8 -1.594 -15.557 -2.026 1.00 3.18 O ATOM 0 H GLU A 8 3.623 -14.845 -4.024 1.00 1.20 H new ATOM 0 HA GLU A 8 1.334 -13.682 -5.158 1.00 1.20 H new ATOM 0 HB2 GLU A 8 1.579 -15.396 -3.295 1.00 1.37 H new ATOM 0 HB3 GLU A 8 2.069 -14.089 -2.236 1.00 1.37 H new ATOM 0 HG2 GLU A 8 -0.093 -12.969 -2.505 1.00 1.66 H new ATOM 0 HG3 GLU A 8 -0.581 -14.102 -3.751 1.00 1.66 H new ATOM 117 N LEU A 9 2.991 -11.606 -3.195 1.00 1.00 N ATOM 118 CA LEU A 9 3.146 -10.184 -2.920 1.00 0.93 C ATOM 119 C LEU A 9 3.607 -9.392 -4.153 1.00 0.89 C ATOM 120 O LEU A 9 2.966 -8.394 -4.471 1.00 0.89 O ATOM 121 CB LEU A 9 3.998 -9.972 -1.659 1.00 0.95 C ATOM 122 CG LEU A 9 3.080 -10.020 -0.421 1.00 0.98 C ATOM 123 CD1 LEU A 9 3.819 -10.505 0.825 1.00 1.37 C ATOM 124 CD2 LEU A 9 2.507 -8.628 -0.127 1.00 1.42 C ATOM 0 H LEU A 9 3.613 -12.212 -2.661 1.00 1.00 H new ATOM 0 HA LEU A 9 2.166 -9.761 -2.696 1.00 0.93 H new ATOM 0 HB2 LEU A 9 4.766 -10.743 -1.589 1.00 0.95 H new ATOM 0 HB3 LEU A 9 4.513 -9.013 -1.709 1.00 0.95 H new ATOM 0 HG LEU A 9 2.281 -10.724 -0.653 1.00 0.98 H new ATOM 0 HD11 LEU A 9 3.133 -10.522 1.671 1.00 1.37 H new ATOM 0 HD12 LEU A 9 4.206 -11.509 0.651 1.00 1.37 H new ATOM 0 HD13 LEU A 9 4.647 -9.830 1.043 1.00 1.37 H new ATOM 0 HD21 LEU A 9 1.861 -8.678 0.750 1.00 1.42 H new ATOM 0 HD22 LEU A 9 3.323 -7.931 0.063 1.00 1.42 H new ATOM 0 HD23 LEU A 9 1.929 -8.284 -0.985 1.00 1.42 H new ATOM 136 N GLU A 10 4.664 -9.820 -4.861 1.00 0.88 N ATOM 137 CA GLU A 10 5.120 -9.177 -6.100 1.00 0.88 C ATOM 138 C GLU A 10 3.952 -9.005 -7.084 1.00 0.87 C ATOM 139 O GLU A 10 3.664 -7.899 -7.538 1.00 0.96 O ATOM 140 CB GLU A 10 6.270 -9.965 -6.756 1.00 0.84 C ATOM 141 CG GLU A 10 7.597 -9.906 -5.974 1.00 1.48 C ATOM 142 CD GLU A 10 8.771 -10.528 -6.750 1.00 1.32 C ATOM 143 OE1 GLU A 10 8.476 -11.320 -7.672 1.00 1.89 O ATOM 144 OE2 GLU A 10 9.942 -10.217 -6.422 1.00 2.12 O ATOM 0 H GLU A 10 5.228 -10.625 -4.588 1.00 0.88 H new ATOM 0 HA GLU A 10 5.502 -8.190 -5.838 1.00 0.88 H new ATOM 0 HB2 GLU A 10 5.969 -11.007 -6.862 1.00 0.84 H new ATOM 0 HB3 GLU A 10 6.435 -9.577 -7.761 1.00 0.84 H new ATOM 0 HG2 GLU A 10 7.831 -8.867 -5.741 1.00 1.48 H new ATOM 0 HG3 GLU A 10 7.478 -10.427 -5.024 1.00 1.48 H new ATOM 151 N GLU A 11 3.266 -10.108 -7.386 1.00 0.80 N ATOM 152 CA GLU A 11 2.058 -10.146 -8.200 1.00 0.83 C ATOM 153 C GLU A 11 1.054 -9.093 -7.707 1.00 0.89 C ATOM 154 O GLU A 11 0.641 -8.203 -8.454 1.00 0.94 O ATOM 155 CB GLU A 11 1.526 -11.588 -8.131 1.00 0.82 C ATOM 156 CG GLU A 11 0.133 -11.823 -8.713 1.00 2.05 C ATOM 157 CD GLU A 11 0.023 -11.395 -10.170 1.00 2.44 C ATOM 158 OE1 GLU A 11 0.890 -11.838 -10.954 1.00 2.06 O ATOM 159 OE2 GLU A 11 -0.927 -10.640 -10.467 1.00 3.84 O ATOM 0 H GLU A 11 3.549 -11.031 -7.057 1.00 0.80 H new ATOM 0 HA GLU A 11 2.250 -9.892 -9.242 1.00 0.83 H new ATOM 0 HB2 GLU A 11 2.229 -12.238 -8.653 1.00 0.82 H new ATOM 0 HB3 GLU A 11 1.518 -11.900 -7.087 1.00 0.82 H new ATOM 0 HG2 GLU A 11 -0.117 -12.881 -8.630 1.00 2.05 H new ATOM 0 HG3 GLU A 11 -0.600 -11.275 -8.122 1.00 2.05 H new ATOM 166 N SER A 12 0.700 -9.172 -6.420 1.00 0.91 N ATOM 167 CA SER A 12 -0.259 -8.282 -5.784 1.00 1.02 C ATOM 168 C SER A 12 0.117 -6.810 -5.997 1.00 1.01 C ATOM 169 O SER A 12 -0.725 -5.995 -6.372 1.00 1.13 O ATOM 170 CB SER A 12 -0.415 -8.638 -4.302 1.00 1.05 C ATOM 171 OG SER A 12 -1.489 -7.909 -3.743 1.00 2.15 O ATOM 0 H SER A 12 1.083 -9.872 -5.785 1.00 0.91 H new ATOM 0 HA SER A 12 -1.231 -8.422 -6.258 1.00 1.02 H new ATOM 0 HB2 SER A 12 -0.594 -9.708 -4.193 1.00 1.05 H new ATOM 0 HB3 SER A 12 0.507 -8.413 -3.766 1.00 1.05 H new ATOM 0 HG SER A 12 -1.157 -7.058 -3.387 1.00 2.15 H new ATOM 177 N ILE A 13 1.384 -6.441 -5.783 1.00 0.89 N ATOM 178 CA ILE A 13 1.793 -5.059 -6.005 1.00 0.89 C ATOM 179 C ILE A 13 1.796 -4.709 -7.497 1.00 0.90 C ATOM 180 O ILE A 13 1.395 -3.603 -7.856 1.00 0.91 O ATOM 181 CB ILE A 13 3.040 -4.667 -5.178 1.00 0.93 C ATOM 182 CG1 ILE A 13 4.305 -5.508 -5.395 1.00 0.90 C ATOM 183 CG2 ILE A 13 2.601 -4.750 -3.702 1.00 0.99 C ATOM 184 CD1 ILE A 13 5.122 -5.082 -6.615 1.00 0.88 C ATOM 0 H ILE A 13 2.125 -7.066 -5.464 1.00 0.89 H new ATOM 0 HA ILE A 13 1.036 -4.391 -5.594 1.00 0.89 H new ATOM 0 HB ILE A 13 3.349 -3.674 -5.504 1.00 0.93 H new ATOM 0 HG12 ILE A 13 4.933 -5.441 -4.506 1.00 0.90 H new ATOM 0 HG13 ILE A 13 4.021 -6.554 -5.506 1.00 0.90 H new ATOM 0 HG21 ILE A 13 3.439 -4.484 -3.058 1.00 0.99 H new ATOM 0 HG22 ILE A 13 1.776 -4.059 -3.528 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.277 -5.766 -3.475 1.00 0.99 H new ATOM 0 HD11 ILE A 13 6.001 -5.720 -6.705 1.00 0.88 H new ATOM 0 HD12 ILE A 13 4.511 -5.176 -7.513 1.00 0.88 H new ATOM 0 HD13 ILE A 13 5.437 -4.045 -6.498 1.00 0.88 H new ATOM 196 N GLU A 14 2.158 -5.641 -8.385 1.00 0.91 N ATOM 197 CA GLU A 14 2.090 -5.365 -9.815 1.00 0.91 C ATOM 198 C GLU A 14 0.650 -5.011 -10.213 1.00 0.90 C ATOM 199 O GLU A 14 0.416 -3.953 -10.793 1.00 0.89 O ATOM 200 CB GLU A 14 2.666 -6.520 -10.650 1.00 0.96 C ATOM 201 CG GLU A 14 3.431 -5.985 -11.874 1.00 0.94 C ATOM 202 CD GLU A 14 2.598 -5.059 -12.756 1.00 1.83 C ATOM 203 OE1 GLU A 14 1.555 -5.532 -13.256 1.00 2.52 O ATOM 204 OE2 GLU A 14 3.015 -3.889 -12.908 1.00 2.79 O ATOM 0 H GLU A 14 2.494 -6.573 -8.142 1.00 0.91 H new ATOM 0 HA GLU A 14 2.718 -4.501 -10.032 1.00 0.91 H new ATOM 0 HB2 GLU A 14 3.334 -7.122 -10.034 1.00 0.96 H new ATOM 0 HB3 GLU A 14 1.859 -7.175 -10.978 1.00 0.96 H new ATOM 0 HG2 GLU A 14 4.317 -5.449 -11.533 1.00 0.94 H new ATOM 0 HG3 GLU A 14 3.779 -6.827 -12.472 1.00 0.94 H new ATOM 211 N THR A 15 -0.330 -5.848 -9.849 1.00 0.94 N ATOM 212 CA THR A 15 -1.718 -5.610 -10.254 1.00 0.96 C ATOM 213 C THR A 15 -2.201 -4.189 -9.877 1.00 0.92 C ATOM 214 O THR A 15 -2.857 -3.511 -10.671 1.00 0.94 O ATOM 215 CB THR A 15 -2.662 -6.758 -9.849 1.00 1.04 C ATOM 216 OG1 THR A 15 -3.953 -6.535 -10.375 1.00 1.87 O ATOM 217 CG2 THR A 15 -2.782 -6.975 -8.347 1.00 1.17 C ATOM 0 H THR A 15 -0.189 -6.685 -9.283 1.00 0.94 H new ATOM 0 HA THR A 15 -1.749 -5.625 -11.343 1.00 0.96 H new ATOM 0 HB THR A 15 -2.211 -7.659 -10.265 1.00 1.04 H new ATOM 0 HG1 THR A 15 -4.545 -7.271 -10.113 1.00 1.87 H new ATOM 0 HG21 THR A 15 -3.466 -7.801 -8.152 1.00 1.17 H new ATOM 0 HG22 THR A 15 -1.801 -7.210 -7.934 1.00 1.17 H new ATOM 0 HG23 THR A 15 -3.165 -6.069 -7.878 1.00 1.17 H new ATOM 225 N VAL A 16 -1.814 -3.674 -8.702 1.00 0.87 N ATOM 226 CA VAL A 16 -2.167 -2.298 -8.343 1.00 0.84 C ATOM 227 C VAL A 16 -1.348 -1.289 -9.147 1.00 0.78 C ATOM 228 O VAL A 16 -1.887 -0.263 -9.565 1.00 0.81 O ATOM 229 CB VAL A 16 -2.164 -2.006 -6.828 1.00 0.81 C ATOM 230 CG1 VAL A 16 -2.811 -3.148 -6.047 1.00 0.90 C ATOM 231 CG2 VAL A 16 -0.802 -1.663 -6.216 1.00 0.88 C ATOM 0 H VAL A 16 -1.270 -4.176 -8.001 1.00 0.87 H new ATOM 0 HA VAL A 16 -3.213 -2.178 -8.626 1.00 0.84 H new ATOM 0 HB VAL A 16 -2.756 -1.095 -6.737 1.00 0.81 H new ATOM 0 HG11 VAL A 16 -2.795 -2.915 -4.982 1.00 0.90 H new ATOM 0 HG12 VAL A 16 -3.843 -3.275 -6.375 1.00 0.90 H new ATOM 0 HG13 VAL A 16 -2.258 -4.070 -6.225 1.00 0.90 H new ATOM 0 HG21 VAL A 16 -0.919 -1.477 -5.148 1.00 0.88 H new ATOM 0 HG22 VAL A 16 -0.116 -2.496 -6.366 1.00 0.88 H new ATOM 0 HG23 VAL A 16 -0.401 -0.771 -6.698 1.00 0.88 H new ATOM 241 N VAL A 17 -0.057 -1.559 -9.375 1.00 0.73 N ATOM 242 CA VAL A 17 0.777 -0.704 -10.209 1.00 0.69 C ATOM 243 C VAL A 17 0.142 -0.531 -11.587 1.00 0.80 C ATOM 244 O VAL A 17 0.042 0.597 -12.063 1.00 0.81 O ATOM 245 CB VAL A 17 2.217 -1.232 -10.284 1.00 0.68 C ATOM 246 CG1 VAL A 17 3.041 -0.503 -11.356 1.00 0.71 C ATOM 247 CG2 VAL A 17 2.885 -1.036 -8.920 1.00 0.67 C ATOM 0 H VAL A 17 0.429 -2.368 -8.989 1.00 0.73 H new ATOM 0 HA VAL A 17 0.838 0.283 -9.752 1.00 0.69 H new ATOM 0 HB VAL A 17 2.178 -2.287 -10.554 1.00 0.68 H new ATOM 0 HG11 VAL A 17 4.053 -0.908 -11.375 1.00 0.71 H new ATOM 0 HG12 VAL A 17 2.575 -0.644 -12.331 1.00 0.71 H new ATOM 0 HG13 VAL A 17 3.080 0.561 -11.123 1.00 0.71 H new ATOM 0 HG21 VAL A 17 3.909 -1.407 -8.960 1.00 0.67 H new ATOM 0 HG22 VAL A 17 2.893 0.024 -8.668 1.00 0.67 H new ATOM 0 HG23 VAL A 17 2.329 -1.585 -8.160 1.00 0.67 H new ATOM 257 N THR A 18 -0.305 -1.611 -12.230 1.00 0.90 N ATOM 258 CA THR A 18 -0.948 -1.490 -13.534 1.00 1.01 C ATOM 259 C THR A 18 -2.234 -0.651 -13.448 1.00 1.01 C ATOM 260 O THR A 18 -2.368 0.284 -14.241 1.00 1.00 O ATOM 261 CB THR A 18 -1.072 -2.843 -14.256 1.00 1.06 C ATOM 262 OG1 THR A 18 -1.672 -2.681 -15.527 1.00 1.23 O ATOM 263 CG2 THR A 18 -1.848 -3.886 -13.463 1.00 1.03 C ATOM 0 H THR A 18 -0.234 -2.564 -11.874 1.00 0.90 H new ATOM 0 HA THR A 18 -0.295 -0.918 -14.193 1.00 1.01 H new ATOM 0 HB THR A 18 -0.052 -3.212 -14.366 1.00 1.06 H new ATOM 0 HG1 THR A 18 -1.740 -3.552 -15.970 1.00 1.23 H new ATOM 0 HG21 THR A 18 -1.896 -4.814 -14.032 1.00 1.03 H new ATOM 0 HG22 THR A 18 -1.346 -4.068 -12.513 1.00 1.03 H new ATOM 0 HG23 THR A 18 -2.858 -3.523 -13.276 1.00 1.03 H new ATOM 271 N THR A 19 -3.152 -0.906 -12.495 1.00 1.04 N ATOM 272 CA THR A 19 -4.314 -0.038 -12.286 1.00 1.04 C ATOM 273 C THR A 19 -3.885 1.430 -12.180 1.00 0.91 C ATOM 274 O THR A 19 -4.409 2.290 -12.888 1.00 0.93 O ATOM 275 CB THR A 19 -5.098 -0.497 -11.044 1.00 1.13 C ATOM 276 OG1 THR A 19 -5.766 -1.709 -11.339 1.00 1.48 O ATOM 277 CG2 THR A 19 -6.133 0.531 -10.581 1.00 1.51 C ATOM 0 H THR A 19 -3.106 -1.705 -11.863 1.00 1.04 H new ATOM 0 HA THR A 19 -4.976 -0.117 -13.148 1.00 1.04 H new ATOM 0 HB THR A 19 -4.376 -0.625 -10.238 1.00 1.13 H new ATOM 0 HG1 THR A 19 -6.688 -1.662 -11.011 1.00 1.48 H new ATOM 0 HG21 THR A 19 -6.654 0.152 -9.702 1.00 1.51 H new ATOM 0 HG22 THR A 19 -5.631 1.465 -10.330 1.00 1.51 H new ATOM 0 HG23 THR A 19 -6.852 0.709 -11.381 1.00 1.51 H new ATOM 285 N PHE A 20 -2.923 1.718 -11.298 1.00 0.84 N ATOM 286 CA PHE A 20 -2.357 3.049 -11.142 1.00 0.79 C ATOM 287 C PHE A 20 -1.926 3.602 -12.503 1.00 0.76 C ATOM 288 O PHE A 20 -2.434 4.630 -12.939 1.00 0.78 O ATOM 289 CB PHE A 20 -1.204 3.010 -10.124 1.00 0.80 C ATOM 290 CG PHE A 20 -0.147 4.088 -10.282 1.00 1.09 C ATOM 291 CD1 PHE A 20 -0.502 5.447 -10.210 1.00 2.29 C ATOM 292 CD2 PHE A 20 1.189 3.732 -10.554 1.00 2.25 C ATOM 293 CE1 PHE A 20 0.482 6.441 -10.354 1.00 2.93 C ATOM 294 CE2 PHE A 20 2.159 4.728 -10.741 1.00 3.01 C ATOM 295 CZ PHE A 20 1.807 6.084 -10.651 1.00 2.92 C ATOM 0 H PHE A 20 -2.516 1.024 -10.670 1.00 0.84 H new ATOM 0 HA PHE A 20 -3.112 3.730 -10.749 1.00 0.79 H new ATOM 0 HB2 PHE A 20 -1.626 3.086 -9.122 1.00 0.80 H new ATOM 0 HB3 PHE A 20 -0.717 2.037 -10.192 1.00 0.80 H new ATOM 0 HD1 PHE A 20 -1.532 5.727 -10.044 1.00 2.29 H new ATOM 0 HD2 PHE A 20 1.467 2.690 -10.619 1.00 2.25 H new ATOM 0 HE1 PHE A 20 0.218 7.482 -10.236 1.00 2.93 H new ATOM 0 HE2 PHE A 20 3.181 4.451 -10.955 1.00 3.01 H new ATOM 0 HZ PHE A 20 2.552 6.849 -10.810 1.00 2.92 H new ATOM 305 N PHE A 21 -1.009 2.922 -13.187 1.00 0.76 N ATOM 306 CA PHE A 21 -0.374 3.439 -14.391 1.00 0.79 C ATOM 307 C PHE A 21 -1.399 3.683 -15.502 1.00 0.83 C ATOM 308 O PHE A 21 -1.398 4.742 -16.133 1.00 0.87 O ATOM 309 CB PHE A 21 0.770 2.508 -14.833 1.00 0.83 C ATOM 310 CG PHE A 21 2.009 3.244 -15.305 1.00 1.12 C ATOM 311 CD1 PHE A 21 2.740 4.015 -14.383 1.00 2.57 C ATOM 312 CD2 PHE A 21 2.463 3.131 -16.633 1.00 1.87 C ATOM 313 CE1 PHE A 21 3.913 4.675 -14.780 1.00 3.13 C ATOM 314 CE2 PHE A 21 3.642 3.787 -17.031 1.00 2.34 C ATOM 315 CZ PHE A 21 4.367 4.560 -16.106 1.00 2.53 C ATOM 0 H PHE A 21 -0.686 1.993 -12.918 1.00 0.76 H new ATOM 0 HA PHE A 21 0.066 4.410 -14.166 1.00 0.79 H new ATOM 0 HB2 PHE A 21 1.040 1.858 -14.000 1.00 0.83 H new ATOM 0 HB3 PHE A 21 0.412 1.864 -15.637 1.00 0.83 H new ATOM 0 HD1 PHE A 21 2.396 4.100 -13.363 1.00 2.57 H new ATOM 0 HD2 PHE A 21 1.906 2.541 -17.346 1.00 1.87 H new ATOM 0 HE1 PHE A 21 4.466 5.270 -14.069 1.00 3.13 H new ATOM 0 HE2 PHE A 21 3.991 3.697 -18.049 1.00 2.34 H new ATOM 0 HZ PHE A 21 5.271 5.064 -16.414 1.00 2.53 H new ATOM 325 N THR A 22 -2.309 2.726 -15.720 1.00 0.90 N ATOM 326 CA THR A 22 -3.354 2.884 -16.725 1.00 1.02 C ATOM 327 C THR A 22 -4.325 4.018 -16.368 1.00 1.09 C ATOM 328 O THR A 22 -5.031 4.507 -17.252 1.00 1.53 O ATOM 329 CB THR A 22 -4.049 1.551 -17.053 1.00 1.07 C ATOM 330 OG1 THR A 22 -4.729 1.669 -18.287 1.00 1.79 O ATOM 331 CG2 THR A 22 -5.064 1.106 -16.000 1.00 2.16 C ATOM 0 H THR A 22 -2.339 1.841 -15.214 1.00 0.90 H new ATOM 0 HA THR A 22 -2.872 3.193 -17.653 1.00 1.02 H new ATOM 0 HB THR A 22 -3.259 0.801 -17.086 1.00 1.07 H new ATOM 0 HG1 THR A 22 -5.171 0.821 -18.499 1.00 1.79 H new ATOM 0 HG21 THR A 22 -5.511 0.159 -16.303 1.00 2.16 H new ATOM 0 HG22 THR A 22 -4.562 0.980 -15.041 1.00 2.16 H new ATOM 0 HG23 THR A 22 -5.844 1.861 -15.905 1.00 2.16 H new ATOM 339 N PHE A 23 -4.375 4.437 -15.098 1.00 0.85 N ATOM 340 CA PHE A 23 -5.005 5.692 -14.709 1.00 0.83 C ATOM 341 C PHE A 23 -4.078 6.887 -14.928 1.00 0.73 C ATOM 342 O PHE A 23 -4.499 7.919 -15.422 1.00 0.84 O ATOM 343 CB PHE A 23 -5.491 5.627 -13.252 1.00 0.90 C ATOM 344 CG PHE A 23 -6.999 5.607 -13.119 1.00 1.17 C ATOM 345 CD1 PHE A 23 -7.745 6.703 -13.591 1.00 2.55 C ATOM 346 CD2 PHE A 23 -7.659 4.495 -12.563 1.00 1.93 C ATOM 347 CE1 PHE A 23 -9.148 6.654 -13.575 1.00 3.11 C ATOM 348 CE2 PHE A 23 -9.061 4.490 -12.467 1.00 2.35 C ATOM 349 CZ PHE A 23 -9.807 5.566 -12.978 1.00 2.54 C ATOM 0 H PHE A 23 -3.979 3.913 -14.317 1.00 0.85 H new ATOM 0 HA PHE A 23 -5.872 5.838 -15.354 1.00 0.83 H new ATOM 0 HB2 PHE A 23 -5.081 4.734 -12.780 1.00 0.90 H new ATOM 0 HB3 PHE A 23 -5.097 6.485 -12.707 1.00 0.90 H new ATOM 0 HD1 PHE A 23 -7.239 7.581 -13.965 1.00 2.55 H new ATOM 0 HD2 PHE A 23 -7.089 3.648 -12.211 1.00 1.93 H new ATOM 0 HE1 PHE A 23 -9.721 7.453 -14.022 1.00 3.11 H new ATOM 0 HE2 PHE A 23 -9.566 3.658 -12.000 1.00 2.35 H new ATOM 0 HZ PHE A 23 -10.885 5.557 -12.912 1.00 2.54 H new ATOM 359 N ALA A 24 -2.811 6.774 -14.553 1.00 0.62 N ATOM 360 CA ALA A 24 -1.858 7.869 -14.459 1.00 0.65 C ATOM 361 C ALA A 24 -1.713 8.603 -15.785 1.00 0.70 C ATOM 362 O ALA A 24 -1.480 9.818 -15.811 1.00 0.78 O ATOM 363 CB ALA A 24 -0.510 7.338 -13.972 1.00 0.65 C ATOM 0 H ALA A 24 -2.402 5.876 -14.295 1.00 0.62 H new ATOM 0 HA ALA A 24 -2.235 8.593 -13.737 1.00 0.65 H new ATOM 0 HB1 ALA A 24 0.202 8.161 -13.903 1.00 0.65 H new ATOM 0 HB2 ALA A 24 -0.632 6.880 -12.990 1.00 0.65 H new ATOM 0 HB3 ALA A 24 -0.137 6.594 -14.675 1.00 0.65 H new ATOM 369 N ARG A 25 -1.846 7.843 -16.873 1.00 0.72 N ATOM 370 CA ARG A 25 -1.792 8.340 -18.236 1.00 0.83 C ATOM 371 C ARG A 25 -2.919 9.331 -18.542 1.00 0.87 C ATOM 372 O ARG A 25 -2.691 10.234 -19.342 1.00 1.03 O ATOM 373 CB ARG A 25 -1.809 7.161 -19.224 1.00 1.01 C ATOM 374 CG ARG A 25 -3.147 6.416 -19.173 1.00 1.77 C ATOM 375 CD ARG A 25 -3.199 5.167 -20.053 1.00 2.30 C ATOM 376 NE ARG A 25 -4.512 4.537 -19.864 1.00 3.15 N ATOM 377 CZ ARG A 25 -5.096 3.626 -20.651 1.00 3.85 C ATOM 378 NH1 ARG A 25 -4.408 3.070 -21.653 1.00 4.25 N ATOM 379 NH2 ARG A 25 -6.369 3.286 -20.423 1.00 4.66 N ATOM 0 H ARG A 25 -1.999 6.836 -16.822 1.00 0.72 H new ATOM 0 HA ARG A 25 -0.858 8.890 -18.351 1.00 0.83 H new ATOM 0 HB2 ARG A 25 -1.632 7.528 -20.235 1.00 1.01 H new ATOM 0 HB3 ARG A 25 -0.997 6.473 -18.988 1.00 1.01 H new ATOM 0 HG2 ARG A 25 -3.352 6.130 -18.142 1.00 1.77 H new ATOM 0 HG3 ARG A 25 -3.942 7.097 -19.479 1.00 1.77 H new ATOM 0 HD2 ARG A 25 -3.050 5.431 -21.100 1.00 2.30 H new ATOM 0 HD3 ARG A 25 -2.401 4.476 -19.782 1.00 2.30 H new ATOM 0 HE ARG A 25 -5.038 4.827 -19.040 1.00 3.15 H new ATOM 0 HH11 ARG A 25 -3.438 3.340 -21.817 1.00 4.25 H new ATOM 0 HH12 ARG A 25 -4.853 2.375 -22.253 1.00 4.25 H new ATOM 0 HH21 ARG A 25 -6.883 3.720 -19.656 1.00 4.66 H new ATOM 0 HH22 ARG A 25 -6.826 2.593 -21.016 1.00 4.66 H new ATOM 393 N GLN A 26 -4.117 9.130 -17.966 1.00 0.80 N ATOM 394 CA GLN A 26 -5.371 9.705 -18.459 1.00 0.85 C ATOM 395 C GLN A 26 -5.229 11.154 -18.923 1.00 0.95 C ATOM 396 O GLN A 26 -5.405 11.486 -20.093 1.00 1.05 O ATOM 397 CB GLN A 26 -6.439 9.635 -17.353 1.00 0.83 C ATOM 398 CG GLN A 26 -7.723 8.982 -17.809 1.00 1.00 C ATOM 399 CD GLN A 26 -7.586 7.458 -17.883 1.00 1.15 C ATOM 400 OE1 GLN A 26 -7.020 6.912 -18.828 1.00 1.53 O ATOM 401 NE2 GLN A 26 -8.082 6.750 -16.874 1.00 1.90 N ATOM 0 H GLN A 26 -4.238 8.554 -17.133 1.00 0.80 H new ATOM 0 HA GLN A 26 -5.666 9.115 -19.327 1.00 0.85 H new ATOM 0 HB2 GLN A 26 -6.038 9.081 -16.504 1.00 0.83 H new ATOM 0 HB3 GLN A 26 -6.656 10.644 -17.002 1.00 0.83 H new ATOM 0 HG2 GLN A 26 -8.528 9.242 -17.122 1.00 1.00 H new ATOM 0 HG3 GLN A 26 -8.002 9.371 -18.788 1.00 1.00 H new ATOM 0 HE21 GLN A 26 -8.548 7.223 -16.100 1.00 1.90 H new ATOM 0 HE22 GLN A 26 -7.997 5.734 -16.874 1.00 1.90 H new ATOM 410 N GLU A 27 -4.914 12.003 -17.954 1.00 0.99 N ATOM 411 CA GLU A 27 -4.754 13.430 -18.088 1.00 1.14 C ATOM 412 C GLU A 27 -3.252 13.637 -18.012 1.00 1.11 C ATOM 413 O GLU A 27 -2.701 13.844 -16.921 1.00 1.60 O ATOM 414 CB GLU A 27 -5.503 14.152 -16.963 1.00 1.21 C ATOM 415 CG GLU A 27 -7.005 13.833 -16.926 1.00 1.35 C ATOM 416 CD GLU A 27 -7.606 14.377 -15.636 1.00 1.84 C ATOM 417 OE1 GLU A 27 -7.274 15.525 -15.264 1.00 2.25 O ATOM 418 OE2 GLU A 27 -8.345 13.607 -14.990 1.00 3.16 O ATOM 0 H GLU A 27 -4.755 11.686 -16.998 1.00 0.99 H new ATOM 0 HA GLU A 27 -5.165 13.833 -19.014 1.00 1.14 H new ATOM 0 HB2 GLU A 27 -5.058 13.879 -16.006 1.00 1.21 H new ATOM 0 HB3 GLU A 27 -5.371 15.228 -17.080 1.00 1.21 H new ATOM 0 HG2 GLU A 27 -7.504 14.277 -17.788 1.00 1.35 H new ATOM 0 HG3 GLU A 27 -7.161 12.756 -16.987 1.00 1.35 H new ATOM 425 N GLY A 28 -2.600 13.425 -19.157 1.00 1.73 N ATOM 426 CA GLY A 28 -1.170 13.557 -19.383 1.00 2.17 C ATOM 427 C GLY A 28 -0.295 12.869 -18.333 1.00 1.84 C ATOM 428 O GLY A 28 -0.790 12.186 -17.431 1.00 2.13 O ATOM 0 H GLY A 28 -3.094 13.138 -20.002 1.00 1.73 H new ATOM 0 HA2 GLY A 28 -0.930 13.145 -20.363 1.00 2.17 H new ATOM 0 HA3 GLY A 28 -0.916 14.617 -19.412 1.00 2.17 H new ATOM 432 N ARG A 29 1.016 13.111 -18.452 1.00 1.36 N ATOM 433 CA ARG A 29 2.066 12.787 -17.490 1.00 1.17 C ATOM 434 C ARG A 29 1.790 11.478 -16.745 1.00 0.98 C ATOM 435 O ARG A 29 1.136 11.475 -15.697 1.00 0.90 O ATOM 436 CB ARG A 29 2.278 13.988 -16.561 1.00 1.49 C ATOM 437 CG ARG A 29 3.638 13.921 -15.853 1.00 1.80 C ATOM 438 CD ARG A 29 3.880 15.169 -14.995 1.00 2.23 C ATOM 439 NE ARG A 29 4.034 16.394 -15.801 1.00 2.73 N ATOM 440 CZ ARG A 29 4.123 17.625 -15.268 1.00 3.70 C ATOM 441 NH1 ARG A 29 4.154 17.765 -13.948 1.00 4.38 N ATOM 442 NH2 ARG A 29 4.175 18.707 -16.052 1.00 4.75 N ATOM 0 H ARG A 29 1.393 13.570 -19.281 1.00 1.36 H new ATOM 0 HA ARG A 29 2.999 12.603 -18.022 1.00 1.17 H new ATOM 0 HB2 ARG A 29 2.212 14.911 -17.137 1.00 1.49 H new ATOM 0 HB3 ARG A 29 1.481 14.019 -15.818 1.00 1.49 H new ATOM 0 HG2 ARG A 29 3.680 13.031 -15.225 1.00 1.80 H new ATOM 0 HG3 ARG A 29 4.432 13.826 -16.594 1.00 1.80 H new ATOM 0 HD2 ARG A 29 3.047 15.296 -14.304 1.00 2.23 H new ATOM 0 HD3 ARG A 29 4.775 15.022 -14.391 1.00 2.23 H new ATOM 0 HE ARG A 29 4.075 16.303 -16.816 1.00 2.73 H new ATOM 0 HH11 ARG A 29 4.110 16.942 -13.347 1.00 4.38 H new ATOM 0 HH12 ARG A 29 4.221 18.695 -13.535 1.00 4.38 H new ATOM 0 HH21 ARG A 29 4.147 18.604 -17.066 1.00 4.75 H new ATOM 0 HH22 ARG A 29 4.242 19.636 -15.636 1.00 4.75 H new ATOM 456 N LYS A 30 2.253 10.370 -17.333 1.00 1.05 N ATOM 457 CA LYS A 30 1.881 9.011 -16.963 1.00 1.07 C ATOM 458 C LYS A 30 2.564 8.538 -15.669 1.00 1.08 C ATOM 459 O LYS A 30 3.257 7.528 -15.649 1.00 1.29 O ATOM 460 CB LYS A 30 2.118 8.080 -18.170 1.00 1.25 C ATOM 461 CG LYS A 30 3.601 7.912 -18.558 1.00 1.42 C ATOM 462 CD LYS A 30 3.793 7.337 -19.969 1.00 1.85 C ATOM 463 CE LYS A 30 3.584 8.401 -21.060 1.00 3.02 C ATOM 464 NZ LYS A 30 3.897 7.883 -22.410 1.00 3.99 N ATOM 0 H LYS A 30 2.919 10.402 -18.105 1.00 1.05 H new ATOM 0 HA LYS A 30 0.819 8.984 -16.720 1.00 1.07 H new ATOM 0 HB2 LYS A 30 1.700 7.099 -17.945 1.00 1.25 H new ATOM 0 HB3 LYS A 30 1.572 8.471 -19.028 1.00 1.25 H new ATOM 0 HG2 LYS A 30 4.099 8.880 -18.496 1.00 1.42 H new ATOM 0 HG3 LYS A 30 4.087 7.256 -17.836 1.00 1.42 H new ATOM 0 HD2 LYS A 30 4.796 6.920 -20.057 1.00 1.85 H new ATOM 0 HD3 LYS A 30 3.092 6.517 -20.124 1.00 1.85 H new ATOM 0 HE2 LYS A 30 2.551 8.747 -21.035 1.00 3.02 H new ATOM 0 HE3 LYS A 30 4.214 9.265 -20.849 1.00 3.02 H new ATOM 0 HZ1 LYS A 30 3.742 8.633 -23.114 1.00 3.99 H new ATOM 0 HZ2 LYS A 30 4.890 7.577 -22.443 1.00 3.99 H new ATOM 0 HZ3 LYS A 30 3.278 7.075 -22.624 1.00 3.99 H new ATOM 478 N ASP A 31 2.342 9.280 -14.588 1.00 1.17 N ATOM 479 CA ASP A 31 2.778 8.988 -13.227 1.00 1.42 C ATOM 480 C ASP A 31 1.955 9.876 -12.297 1.00 1.36 C ATOM 481 O ASP A 31 1.371 9.426 -11.317 1.00 1.81 O ATOM 482 CB ASP A 31 4.276 9.267 -13.062 1.00 1.70 C ATOM 483 CG ASP A 31 4.749 8.819 -11.687 1.00 3.03 C ATOM 484 OD1 ASP A 31 4.512 9.572 -10.717 1.00 4.37 O ATOM 485 OD2 ASP A 31 5.330 7.716 -11.618 1.00 3.71 O ATOM 0 H ASP A 31 1.821 10.155 -14.643 1.00 1.17 H new ATOM 0 HA ASP A 31 2.626 7.935 -12.991 1.00 1.42 H new ATOM 0 HB2 ASP A 31 4.838 8.743 -13.836 1.00 1.70 H new ATOM 0 HB3 ASP A 31 4.471 10.332 -13.192 1.00 1.70 H new ATOM 490 N SER A 32 1.837 11.143 -12.694 1.00 1.03 N ATOM 491 CA SER A 32 1.128 12.181 -11.984 1.00 1.05 C ATOM 492 C SER A 32 -0.366 12.087 -12.296 1.00 0.98 C ATOM 493 O SER A 32 -0.799 12.311 -13.440 1.00 1.10 O ATOM 494 CB SER A 32 1.722 13.521 -12.430 1.00 1.24 C ATOM 495 OG SER A 32 3.122 13.365 -12.595 1.00 1.86 O ATOM 0 H SER A 32 2.257 11.478 -13.561 1.00 1.03 H new ATOM 0 HA SER A 32 1.235 12.078 -10.904 1.00 1.05 H new ATOM 0 HB2 SER A 32 1.265 13.844 -13.365 1.00 1.24 H new ATOM 0 HB3 SER A 32 1.512 14.293 -11.689 1.00 1.24 H new ATOM 0 HG SER A 32 3.582 14.161 -12.256 1.00 1.86 H new ATOM 501 N LEU A 33 -1.160 11.746 -11.277 1.00 0.89 N ATOM 502 CA LEU A 33 -2.602 11.849 -11.366 1.00 0.89 C ATOM 503 C LEU A 33 -3.047 13.272 -11.033 1.00 0.87 C ATOM 504 O LEU A 33 -2.562 13.878 -10.080 1.00 0.96 O ATOM 505 CB LEU A 33 -3.342 10.793 -10.530 1.00 1.03 C ATOM 506 CG LEU A 33 -3.428 9.446 -11.269 1.00 1.26 C ATOM 507 CD1 LEU A 33 -2.192 8.592 -10.977 1.00 1.75 C ATOM 508 CD2 LEU A 33 -4.706 8.675 -10.928 1.00 2.72 C ATOM 0 H LEU A 33 -0.818 11.396 -10.382 1.00 0.89 H new ATOM 0 HA LEU A 33 -2.881 11.632 -12.397 1.00 0.89 H new ATOM 0 HB2 LEU A 33 -2.828 10.655 -9.579 1.00 1.03 H new ATOM 0 HB3 LEU A 33 -4.347 11.148 -10.301 1.00 1.03 H new ATOM 0 HG LEU A 33 -3.462 9.668 -12.336 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -2.271 7.644 -11.508 1.00 1.75 H new ATOM 0 HD12 LEU A 33 -1.298 9.120 -11.309 1.00 1.75 H new ATOM 0 HD13 LEU A 33 -2.125 8.403 -9.906 1.00 1.75 H new ATOM 0 HD21 LEU A 33 -4.719 7.732 -11.475 1.00 2.72 H new ATOM 0 HD22 LEU A 33 -4.735 8.474 -9.857 1.00 2.72 H new ATOM 0 HD23 LEU A 33 -5.575 9.269 -11.209 1.00 2.72 H new ATOM 520 N SER A 34 -3.983 13.772 -11.837 1.00 0.98 N ATOM 521 CA SER A 34 -4.691 15.029 -11.663 1.00 1.09 C ATOM 522 C SER A 34 -5.829 14.815 -10.658 1.00 0.86 C ATOM 523 O SER A 34 -6.081 13.695 -10.209 1.00 0.81 O ATOM 524 CB SER A 34 -5.225 15.443 -13.046 1.00 1.52 C ATOM 525 OG SER A 34 -6.237 16.431 -13.012 1.00 2.86 O ATOM 0 H SER A 34 -4.282 13.277 -12.677 1.00 0.98 H new ATOM 0 HA SER A 34 -4.046 15.817 -11.274 1.00 1.09 H new ATOM 0 HB2 SER A 34 -4.394 15.813 -13.647 1.00 1.52 H new ATOM 0 HB3 SER A 34 -5.615 14.559 -13.551 1.00 1.52 H new ATOM 0 HG SER A 34 -6.848 16.300 -13.767 1.00 2.86 H new ATOM 531 N VAL A 35 -6.519 15.897 -10.292 1.00 0.95 N ATOM 532 CA VAL A 35 -7.629 15.840 -9.350 1.00 0.95 C ATOM 533 C VAL A 35 -8.750 14.969 -9.915 1.00 0.96 C ATOM 534 O VAL A 35 -9.323 14.153 -9.195 1.00 0.98 O ATOM 535 CB VAL A 35 -8.104 17.255 -8.972 1.00 1.09 C ATOM 536 CG1 VAL A 35 -8.739 18.032 -10.132 1.00 1.88 C ATOM 537 CG2 VAL A 35 -9.097 17.196 -7.803 1.00 2.17 C ATOM 0 H VAL A 35 -6.321 16.834 -10.642 1.00 0.95 H new ATOM 0 HA VAL A 35 -7.292 15.374 -8.424 1.00 0.95 H new ATOM 0 HB VAL A 35 -7.202 17.795 -8.684 1.00 1.09 H new ATOM 0 HG11 VAL A 35 -9.047 19.018 -9.784 1.00 1.88 H new ATOM 0 HG12 VAL A 35 -8.013 18.142 -10.937 1.00 1.88 H new ATOM 0 HG13 VAL A 35 -9.609 17.489 -10.500 1.00 1.88 H new ATOM 0 HG21 VAL A 35 -9.422 18.205 -7.550 1.00 2.17 H new ATOM 0 HG22 VAL A 35 -9.962 16.598 -8.090 1.00 2.17 H new ATOM 0 HG23 VAL A 35 -8.614 16.743 -6.938 1.00 2.17 H new ATOM 547 N ASN A 36 -9.051 15.134 -11.206 1.00 1.00 N ATOM 548 CA ASN A 36 -10.088 14.346 -11.847 1.00 1.07 C ATOM 549 C ASN A 36 -9.635 12.890 -11.922 1.00 1.03 C ATOM 550 O ASN A 36 -10.277 12.053 -11.304 1.00 1.11 O ATOM 551 CB ASN A 36 -10.518 14.964 -13.176 1.00 1.24 C ATOM 552 CG ASN A 36 -11.493 14.023 -13.881 1.00 1.35 C ATOM 553 OD1 ASN A 36 -12.689 14.065 -13.610 1.00 2.05 O ATOM 554 ND2 ASN A 36 -10.983 13.157 -14.746 1.00 1.51 N ATOM 0 H ASN A 36 -8.589 15.805 -11.819 1.00 1.00 H new ATOM 0 HA ASN A 36 -11.000 14.354 -11.250 1.00 1.07 H new ATOM 0 HB2 ASN A 36 -10.989 15.932 -13.004 1.00 1.24 H new ATOM 0 HB3 ASN A 36 -9.646 15.141 -13.806 1.00 1.24 H new ATOM 0 HD21 ASN A 36 -11.592 12.488 -15.218 1.00 1.51 H new ATOM 0 HD22 ASN A 36 -9.982 13.159 -14.940 1.00 1.51 H new ATOM 561 N GLU A 37 -8.488 12.598 -12.547 1.00 0.99 N ATOM 562 CA GLU A 37 -7.815 11.295 -12.521 1.00 1.00 C ATOM 563 C GLU A 37 -7.922 10.618 -11.148 1.00 0.94 C ATOM 564 O GLU A 37 -8.269 9.441 -11.054 1.00 1.03 O ATOM 565 CB GLU A 37 -6.330 11.511 -12.866 1.00 1.00 C ATOM 566 CG GLU A 37 -5.997 11.159 -14.317 1.00 0.86 C ATOM 567 CD GLU A 37 -4.587 11.564 -14.736 1.00 0.88 C ATOM 568 OE1 GLU A 37 -3.961 12.507 -14.209 1.00 1.76 O ATOM 569 OE2 GLU A 37 -3.988 10.967 -15.651 1.00 1.83 O ATOM 0 H GLU A 37 -7.985 13.288 -13.105 1.00 0.99 H new ATOM 0 HA GLU A 37 -8.300 10.642 -13.247 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -6.067 12.553 -12.681 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -5.716 10.904 -12.200 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -6.114 10.084 -14.457 1.00 0.86 H new ATOM 0 HG3 GLU A 37 -6.717 11.647 -14.975 1.00 0.86 H new ATOM 576 N PHE A 38 -7.609 11.350 -10.077 1.00 0.86 N ATOM 577 CA PHE A 38 -7.793 10.846 -8.727 1.00 0.88 C ATOM 578 C PHE A 38 -9.267 10.510 -8.473 1.00 0.96 C ATOM 579 O PHE A 38 -9.582 9.354 -8.174 1.00 0.96 O ATOM 580 CB PHE A 38 -7.220 11.837 -7.705 1.00 0.87 C ATOM 581 CG PHE A 38 -7.513 11.532 -6.244 1.00 1.14 C ATOM 582 CD1 PHE A 38 -7.627 10.204 -5.785 1.00 1.68 C ATOM 583 CD2 PHE A 38 -7.759 12.594 -5.353 1.00 2.76 C ATOM 584 CE1 PHE A 38 -8.031 9.946 -4.466 1.00 2.07 C ATOM 585 CE2 PHE A 38 -8.129 12.328 -4.023 1.00 3.36 C ATOM 586 CZ PHE A 38 -8.254 11.005 -3.575 1.00 2.54 C ATOM 0 H PHE A 38 -7.227 12.294 -10.125 1.00 0.86 H new ATOM 0 HA PHE A 38 -7.238 9.915 -8.610 1.00 0.88 H new ATOM 0 HB2 PHE A 38 -6.139 11.880 -7.837 1.00 0.87 H new ATOM 0 HB3 PHE A 38 -7.609 12.829 -7.933 1.00 0.87 H new ATOM 0 HD1 PHE A 38 -7.403 9.383 -6.450 1.00 1.68 H new ATOM 0 HD2 PHE A 38 -7.663 13.615 -5.692 1.00 2.76 H new ATOM 0 HE1 PHE A 38 -8.171 8.927 -4.136 1.00 2.07 H new ATOM 0 HE2 PHE A 38 -8.318 13.146 -3.343 1.00 3.36 H new ATOM 0 HZ PHE A 38 -8.521 10.803 -2.548 1.00 2.54 H new ATOM 596 N LYS A 39 -10.170 11.493 -8.583 1.00 1.05 N ATOM 597 CA LYS A 39 -11.575 11.261 -8.281 1.00 1.15 C ATOM 598 C LYS A 39 -12.131 10.059 -9.058 1.00 1.21 C ATOM 599 O LYS A 39 -12.911 9.267 -8.522 1.00 1.27 O ATOM 600 CB LYS A 39 -12.468 12.496 -8.460 1.00 1.20 C ATOM 601 CG LYS A 39 -13.863 12.104 -7.933 1.00 1.24 C ATOM 602 CD LYS A 39 -14.776 13.275 -7.557 1.00 1.51 C ATOM 603 CE LYS A 39 -15.943 12.775 -6.685 1.00 1.91 C ATOM 604 NZ LYS A 39 -16.735 11.707 -7.345 1.00 3.20 N ATOM 0 H LYS A 39 -9.949 12.445 -8.876 1.00 1.05 H new ATOM 0 HA LYS A 39 -11.602 11.028 -7.216 1.00 1.15 H new ATOM 0 HB2 LYS A 39 -12.069 13.347 -7.908 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -12.517 12.791 -9.508 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -14.364 11.504 -8.692 1.00 1.24 H new ATOM 0 HG3 LYS A 39 -13.736 11.468 -7.057 1.00 1.24 H new ATOM 0 HD2 LYS A 39 -14.207 14.032 -7.018 1.00 1.51 H new ATOM 0 HD3 LYS A 39 -15.163 13.749 -8.459 1.00 1.51 H new ATOM 0 HE2 LYS A 39 -15.550 12.399 -5.740 1.00 1.91 H new ATOM 0 HE3 LYS A 39 -16.598 13.613 -6.447 1.00 1.91 H new ATOM 0 HZ1 LYS A 39 -17.608 11.538 -6.805 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -16.978 12.002 -8.312 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -16.175 10.831 -7.381 1.00 3.20 H new ATOM 618 N GLU A 40 -11.749 9.928 -10.323 1.00 1.21 N ATOM 619 CA GLU A 40 -12.182 8.855 -11.191 1.00 1.25 C ATOM 620 C GLU A 40 -11.950 7.500 -10.526 1.00 1.22 C ATOM 621 O GLU A 40 -12.816 6.638 -10.604 1.00 1.32 O ATOM 622 CB GLU A 40 -11.458 8.947 -12.535 1.00 1.26 C ATOM 623 CG GLU A 40 -11.736 10.274 -13.265 1.00 1.42 C ATOM 624 CD GLU A 40 -12.636 10.147 -14.483 1.00 2.12 C ATOM 625 OE1 GLU A 40 -13.535 9.280 -14.450 1.00 3.28 O ATOM 626 OE2 GLU A 40 -12.404 10.943 -15.421 1.00 2.27 O ATOM 0 H GLU A 40 -11.114 10.584 -10.778 1.00 1.21 H new ATOM 0 HA GLU A 40 -13.252 8.954 -11.372 1.00 1.25 H new ATOM 0 HB2 GLU A 40 -10.385 8.843 -12.374 1.00 1.26 H new ATOM 0 HB3 GLU A 40 -11.768 8.116 -13.168 1.00 1.26 H new ATOM 0 HG2 GLU A 40 -12.193 10.972 -12.563 1.00 1.42 H new ATOM 0 HG3 GLU A 40 -10.786 10.710 -13.575 1.00 1.42 H new ATOM 633 N LEU A 41 -10.830 7.293 -9.823 1.00 1.13 N ATOM 634 CA LEU A 41 -10.562 5.984 -9.244 1.00 1.12 C ATOM 635 C LEU A 41 -11.557 5.713 -8.119 1.00 1.19 C ATOM 636 O LEU A 41 -12.139 4.632 -8.046 1.00 1.29 O ATOM 637 CB LEU A 41 -9.107 5.878 -8.764 1.00 0.97 C ATOM 638 CG LEU A 41 -8.814 4.549 -8.037 1.00 1.25 C ATOM 639 CD1 LEU A 41 -9.057 3.332 -8.929 1.00 1.94 C ATOM 640 CD2 LEU A 41 -7.368 4.493 -7.546 1.00 2.37 C ATOM 0 H LEU A 41 -10.115 7.999 -9.648 1.00 1.13 H new ATOM 0 HA LEU A 41 -10.693 5.219 -10.009 1.00 1.12 H new ATOM 0 HB2 LEU A 41 -8.439 5.974 -9.620 1.00 0.97 H new ATOM 0 HB3 LEU A 41 -8.888 6.710 -8.094 1.00 0.97 H new ATOM 0 HG LEU A 41 -9.502 4.516 -7.192 1.00 1.25 H new ATOM 0 HD11 LEU A 41 -8.837 2.422 -8.371 1.00 1.94 H new ATOM 0 HD12 LEU A 41 -10.099 3.318 -9.249 1.00 1.94 H new ATOM 0 HD13 LEU A 41 -8.409 3.387 -9.804 1.00 1.94 H new ATOM 0 HD21 LEU A 41 -7.193 3.545 -7.038 1.00 2.37 H new ATOM 0 HD22 LEU A 41 -6.691 4.580 -8.396 1.00 2.37 H new ATOM 0 HD23 LEU A 41 -7.187 5.315 -6.853 1.00 2.37 H new ATOM 652 N VAL A 42 -11.764 6.707 -7.250 1.00 1.18 N ATOM 653 CA VAL A 42 -12.617 6.553 -6.077 1.00 1.29 C ATOM 654 C VAL A 42 -14.079 6.431 -6.495 1.00 1.48 C ATOM 655 O VAL A 42 -14.892 5.847 -5.786 1.00 1.89 O ATOM 656 CB VAL A 42 -12.398 7.692 -5.066 1.00 1.27 C ATOM 657 CG1 VAL A 42 -10.960 7.705 -4.531 1.00 1.18 C ATOM 658 CG2 VAL A 42 -12.709 9.075 -5.607 1.00 1.28 C ATOM 0 H VAL A 42 -11.347 7.633 -7.342 1.00 1.18 H new ATOM 0 HA VAL A 42 -12.338 5.630 -5.569 1.00 1.29 H new ATOM 0 HB VAL A 42 -13.107 7.476 -4.267 1.00 1.27 H new ATOM 0 HG11 VAL A 42 -10.844 8.523 -3.820 1.00 1.18 H new ATOM 0 HG12 VAL A 42 -10.748 6.759 -4.033 1.00 1.18 H new ATOM 0 HG13 VAL A 42 -10.265 7.843 -5.359 1.00 1.18 H new ATOM 0 HG21 VAL A 42 -12.528 9.818 -4.831 1.00 1.28 H new ATOM 0 HG22 VAL A 42 -12.069 9.283 -6.465 1.00 1.28 H new ATOM 0 HG23 VAL A 42 -13.754 9.119 -5.915 1.00 1.28 H new ATOM 668 N THR A 43 -14.410 7.032 -7.635 1.00 1.30 N ATOM 669 CA THR A 43 -15.732 6.998 -8.223 1.00 1.45 C ATOM 670 C THR A 43 -15.960 5.689 -8.998 1.00 1.44 C ATOM 671 O THR A 43 -17.067 5.157 -8.982 1.00 1.52 O ATOM 672 CB THR A 43 -15.863 8.259 -9.089 1.00 1.56 C ATOM 673 OG1 THR A 43 -15.619 9.400 -8.278 1.00 1.60 O ATOM 674 CG2 THR A 43 -17.240 8.398 -9.742 1.00 1.80 C ATOM 0 H THR A 43 -13.741 7.570 -8.186 1.00 1.30 H new ATOM 0 HA THR A 43 -16.513 7.005 -7.463 1.00 1.45 H new ATOM 0 HB THR A 43 -15.132 8.177 -9.894 1.00 1.56 H new ATOM 0 HG1 THR A 43 -14.654 9.501 -8.137 1.00 1.60 H new ATOM 0 HG21 THR A 43 -17.269 9.309 -10.340 1.00 1.80 H new ATOM 0 HG22 THR A 43 -17.427 7.537 -10.383 1.00 1.80 H new ATOM 0 HG23 THR A 43 -18.006 8.448 -8.968 1.00 1.80 H new ATOM 682 N GLN A 44 -14.948 5.207 -9.731 1.00 1.39 N ATOM 683 CA GLN A 44 -15.061 4.071 -10.634 1.00 1.42 C ATOM 684 C GLN A 44 -14.925 2.765 -9.853 1.00 1.40 C ATOM 685 O GLN A 44 -15.797 1.903 -9.934 1.00 1.51 O ATOM 686 CB GLN A 44 -14.022 4.204 -11.756 1.00 1.42 C ATOM 687 CG GLN A 44 -14.199 3.123 -12.830 1.00 1.62 C ATOM 688 CD GLN A 44 -13.163 3.289 -13.935 1.00 1.74 C ATOM 689 OE1 GLN A 44 -13.493 3.599 -15.074 1.00 2.56 O ATOM 690 NE2 GLN A 44 -11.896 3.093 -13.597 1.00 2.04 N ATOM 0 H GLN A 44 -14.011 5.610 -9.707 1.00 1.39 H new ATOM 0 HA GLN A 44 -16.046 4.057 -11.102 1.00 1.42 H new ATOM 0 HB2 GLN A 44 -14.107 5.189 -12.215 1.00 1.42 H new ATOM 0 HB3 GLN A 44 -13.020 4.135 -11.333 1.00 1.42 H new ATOM 0 HG2 GLN A 44 -14.102 2.135 -12.379 1.00 1.62 H new ATOM 0 HG3 GLN A 44 -15.202 3.183 -13.253 1.00 1.62 H new ATOM 0 HE21 GLN A 44 -11.658 2.836 -12.639 1.00 2.04 H new ATOM 0 HE22 GLN A 44 -11.160 3.199 -14.295 1.00 2.04 H new ATOM 699 N GLN A 45 -13.816 2.616 -9.121 1.00 1.33 N ATOM 700 CA GLN A 45 -13.643 1.538 -8.163 1.00 1.67 C ATOM 701 C GLN A 45 -14.009 2.088 -6.771 1.00 1.92 C ATOM 702 O GLN A 45 -14.936 2.885 -6.656 1.00 3.43 O ATOM 703 CB GLN A 45 -12.231 0.926 -8.278 1.00 1.99 C ATOM 704 CG GLN A 45 -11.956 0.195 -9.612 1.00 2.09 C ATOM 705 CD GLN A 45 -11.089 0.989 -10.590 1.00 2.82 C ATOM 706 OE1 GLN A 45 -11.473 2.075 -11.014 1.00 3.97 O ATOM 707 NE2 GLN A 45 -9.923 0.480 -10.990 1.00 3.27 N ATOM 0 H GLN A 45 -13.016 3.245 -9.182 1.00 1.33 H new ATOM 0 HA GLN A 45 -14.309 0.699 -8.365 1.00 1.67 H new ATOM 0 HB2 GLN A 45 -11.494 1.719 -8.154 1.00 1.99 H new ATOM 0 HB3 GLN A 45 -12.085 0.224 -7.457 1.00 1.99 H new ATOM 0 HG2 GLN A 45 -11.468 -0.756 -9.399 1.00 2.09 H new ATOM 0 HG3 GLN A 45 -12.908 -0.036 -10.091 1.00 2.09 H new ATOM 0 HE21 GLN A 45 -9.611 -0.423 -10.633 1.00 3.27 H new ATOM 0 HE22 GLN A 45 -9.343 0.994 -11.653 1.00 3.27 H new ATOM 716 N LEU A 46 -13.341 1.614 -5.713 1.00 1.65 N ATOM 717 CA LEU A 46 -13.702 1.802 -4.305 1.00 1.60 C ATOM 718 C LEU A 46 -15.228 1.730 -4.053 1.00 1.50 C ATOM 719 O LEU A 46 -15.753 2.558 -3.308 1.00 1.86 O ATOM 720 CB LEU A 46 -13.124 3.128 -3.792 1.00 1.57 C ATOM 721 CG LEU A 46 -11.604 3.127 -3.566 1.00 1.49 C ATOM 722 CD1 LEU A 46 -10.781 3.044 -4.859 1.00 1.92 C ATOM 723 CD2 LEU A 46 -11.288 4.404 -2.779 1.00 2.53 C ATOM 0 H LEU A 46 -12.491 1.061 -5.822 1.00 1.65 H new ATOM 0 HA LEU A 46 -13.266 0.973 -3.747 1.00 1.60 H new ATOM 0 HB2 LEU A 46 -13.370 3.915 -4.505 1.00 1.57 H new ATOM 0 HB3 LEU A 46 -13.616 3.383 -2.853 1.00 1.57 H new ATOM 0 HG LEU A 46 -11.320 2.229 -3.018 1.00 1.49 H new ATOM 0 HD11 LEU A 46 -9.719 3.048 -4.615 1.00 1.92 H new ATOM 0 HD12 LEU A 46 -11.028 2.124 -5.389 1.00 1.92 H new ATOM 0 HD13 LEU A 46 -11.011 3.901 -5.492 1.00 1.92 H new ATOM 0 HD21 LEU A 46 -10.216 4.458 -2.588 1.00 2.53 H new ATOM 0 HD22 LEU A 46 -11.598 5.274 -3.358 1.00 2.53 H new ATOM 0 HD23 LEU A 46 -11.825 4.389 -1.831 1.00 2.53 H new ATOM 735 N PRO A 47 -15.973 0.759 -4.619 1.00 1.22 N ATOM 736 CA PRO A 47 -17.408 0.651 -4.409 1.00 1.34 C ATOM 737 C PRO A 47 -17.757 0.463 -2.934 1.00 1.48 C ATOM 738 O PRO A 47 -18.820 0.914 -2.510 1.00 1.92 O ATOM 739 CB PRO A 47 -17.864 -0.552 -5.240 1.00 1.36 C ATOM 740 CG PRO A 47 -16.607 -1.418 -5.311 1.00 1.31 C ATOM 741 CD PRO A 47 -15.520 -0.353 -5.431 1.00 1.13 C ATOM 0 HA PRO A 47 -17.914 1.567 -4.715 1.00 1.34 H new ATOM 0 HB2 PRO A 47 -18.691 -1.080 -4.766 1.00 1.36 H new ATOM 0 HB3 PRO A 47 -18.204 -0.252 -6.231 1.00 1.36 H new ATOM 0 HG2 PRO A 47 -16.482 -2.035 -4.421 1.00 1.31 H new ATOM 0 HG3 PRO A 47 -16.619 -2.092 -6.168 1.00 1.31 H new ATOM 0 HD2 PRO A 47 -14.560 -0.731 -5.078 1.00 1.13 H new ATOM 0 HD3 PRO A 47 -15.381 -0.050 -6.469 1.00 1.13 H new ATOM 749 N HIS A 48 -16.901 -0.221 -2.159 1.00 1.47 N ATOM 750 CA HIS A 48 -17.161 -0.432 -0.735 1.00 1.65 C ATOM 751 C HIS A 48 -15.964 -0.141 0.180 1.00 1.63 C ATOM 752 O HIS A 48 -16.134 -0.132 1.403 1.00 2.13 O ATOM 753 CB HIS A 48 -17.824 -1.803 -0.513 1.00 1.77 C ATOM 754 CG HIS A 48 -19.031 -1.745 0.396 1.00 1.99 C ATOM 755 ND1 HIS A 48 -19.311 -2.614 1.426 1.00 3.14 N ATOM 756 CD2 HIS A 48 -20.055 -0.833 0.345 1.00 2.21 C ATOM 757 CE1 HIS A 48 -20.448 -2.197 2.012 1.00 3.20 C ATOM 758 NE2 HIS A 48 -20.946 -1.124 1.381 1.00 2.64 N ATOM 0 H HIS A 48 -16.031 -0.633 -2.495 1.00 1.47 H new ATOM 0 HA HIS A 48 -17.878 0.326 -0.418 1.00 1.65 H new ATOM 0 HB2 HIS A 48 -18.124 -2.214 -1.477 1.00 1.77 H new ATOM 0 HB3 HIS A 48 -17.091 -2.489 -0.088 1.00 1.77 H new ATOM 0 HD2 HIS A 48 -20.155 -0.031 -0.371 1.00 2.21 H new ATOM 0 HE1 HIS A 48 -20.899 -2.664 2.875 1.00 3.20 H new ATOM 0 HE2 HIS A 48 -21.803 -0.621 1.611 1.00 2.64 H new ATOM 766 N LEU A 49 -14.796 0.140 -0.405 1.00 1.36 N ATOM 767 CA LEU A 49 -13.898 1.265 -0.152 1.00 1.23 C ATOM 768 C LEU A 49 -14.261 2.352 0.870 1.00 1.00 C ATOM 769 O LEU A 49 -14.833 2.132 1.941 1.00 1.09 O ATOM 770 CB LEU A 49 -12.436 0.865 -0.108 1.00 1.50 C ATOM 771 CG LEU A 49 -11.982 0.278 1.221 1.00 1.53 C ATOM 772 CD1 LEU A 49 -12.716 -1.000 1.619 1.00 1.53 C ATOM 773 CD2 LEU A 49 -10.519 -0.050 1.027 1.00 2.17 C ATOM 0 H LEU A 49 -14.424 -0.470 -1.133 1.00 1.36 H new ATOM 0 HA LEU A 49 -14.096 1.833 -1.061 1.00 1.23 H new ATOM 0 HB2 LEU A 49 -12.248 0.136 -0.896 1.00 1.50 H new ATOM 0 HB3 LEU A 49 -11.826 1.740 -0.332 1.00 1.50 H new ATOM 0 HG LEU A 49 -12.184 0.996 2.016 1.00 1.53 H new ATOM 0 HD11 LEU A 49 -12.335 -1.355 2.577 1.00 1.53 H new ATOM 0 HD12 LEU A 49 -13.783 -0.795 1.706 1.00 1.53 H new ATOM 0 HD13 LEU A 49 -12.555 -1.764 0.859 1.00 1.53 H new ATOM 0 HD21 LEU A 49 -10.118 -0.479 1.945 1.00 2.17 H new ATOM 0 HD22 LEU A 49 -10.412 -0.768 0.214 1.00 2.17 H new ATOM 0 HD23 LEU A 49 -9.971 0.860 0.782 1.00 2.17 H new ATOM 785 N LEU A 50 -13.847 3.569 0.516 1.00 1.25 N ATOM 786 CA LEU A 50 -14.137 4.796 1.226 1.00 1.42 C ATOM 787 C LEU A 50 -15.518 5.270 0.788 1.00 1.46 C ATOM 788 O LEU A 50 -15.624 6.103 -0.105 1.00 2.06 O ATOM 789 CB LEU A 50 -13.065 5.841 0.864 1.00 1.69 C ATOM 790 CG LEU A 50 -11.773 5.645 1.673 1.00 1.90 C ATOM 791 CD1 LEU A 50 -10.550 6.082 0.860 1.00 1.96 C ATOM 792 CD2 LEU A 50 -11.849 6.518 2.933 1.00 2.05 C ATOM 0 H LEU A 50 -13.274 3.724 -0.314 1.00 1.25 H new ATOM 0 HA LEU A 50 -14.127 4.645 2.305 1.00 1.42 H new ATOM 0 HB2 LEU A 50 -12.840 5.775 -0.200 1.00 1.69 H new ATOM 0 HB3 LEU A 50 -13.458 6.841 1.045 1.00 1.69 H new ATOM 0 HG LEU A 50 -11.674 4.590 1.927 1.00 1.90 H new ATOM 0 HD11 LEU A 50 -9.647 5.934 1.453 1.00 1.96 H new ATOM 0 HD12 LEU A 50 -10.487 5.487 -0.051 1.00 1.96 H new ATOM 0 HD13 LEU A 50 -10.644 7.136 0.599 1.00 1.96 H new ATOM 0 HD21 LEU A 50 -10.939 6.391 3.519 1.00 2.05 H new ATOM 0 HD22 LEU A 50 -11.952 7.564 2.645 1.00 2.05 H new ATOM 0 HD23 LEU A 50 -12.710 6.220 3.531 1.00 2.05 H new ATOM 804 N LYS A 51 -16.583 4.816 1.455 1.00 1.72 N ATOM 805 CA LYS A 51 -17.969 5.225 1.183 1.00 1.81 C ATOM 806 C LYS A 51 -18.273 6.713 1.457 1.00 2.03 C ATOM 807 O LYS A 51 -19.427 7.099 1.644 1.00 3.26 O ATOM 808 CB LYS A 51 -18.930 4.299 1.950 1.00 1.96 C ATOM 809 CG LYS A 51 -18.697 4.187 3.471 1.00 2.55 C ATOM 810 CD LYS A 51 -18.879 5.447 4.325 1.00 3.38 C ATOM 811 CE LYS A 51 -20.282 6.080 4.322 1.00 4.14 C ATOM 812 NZ LYS A 51 -20.199 7.543 4.134 1.00 5.07 N ATOM 0 H LYS A 51 -16.507 4.140 2.215 1.00 1.72 H new ATOM 0 HA LYS A 51 -18.120 5.120 0.109 1.00 1.81 H new ATOM 0 HB2 LYS A 51 -19.949 4.649 1.784 1.00 1.96 H new ATOM 0 HB3 LYS A 51 -18.862 3.301 1.518 1.00 1.96 H new ATOM 0 HG2 LYS A 51 -19.372 3.423 3.856 1.00 2.55 H new ATOM 0 HG3 LYS A 51 -17.682 3.823 3.627 1.00 2.55 H new ATOM 0 HD2 LYS A 51 -18.617 5.203 5.354 1.00 3.38 H new ATOM 0 HD3 LYS A 51 -18.165 6.197 3.984 1.00 3.38 H new ATOM 0 HE2 LYS A 51 -20.882 5.640 3.525 1.00 4.14 H new ATOM 0 HE3 LYS A 51 -20.788 5.858 5.262 1.00 4.14 H new ATOM 0 HZ1 LYS A 51 -21.104 7.979 4.401 1.00 5.07 H new ATOM 0 HZ2 LYS A 51 -19.440 7.927 4.732 1.00 5.07 H new ATOM 0 HZ3 LYS A 51 -19.994 7.754 3.136 1.00 5.07 H new ATOM 826 N ASP A 52 -17.243 7.551 1.527 1.00 2.27 N ATOM 827 CA ASP A 52 -17.249 8.949 1.913 1.00 2.61 C ATOM 828 C ASP A 52 -16.826 9.811 0.709 1.00 2.34 C ATOM 829 O ASP A 52 -16.424 10.964 0.873 1.00 2.45 O ATOM 830 CB ASP A 52 -16.280 9.090 3.101 1.00 2.98 C ATOM 831 CG ASP A 52 -16.674 8.254 4.311 1.00 4.37 C ATOM 832 OD1 ASP A 52 -17.831 8.412 4.764 1.00 4.79 O ATOM 833 OD2 ASP A 52 -15.847 7.401 4.720 1.00 5.67 O ATOM 0 H ASP A 52 -16.302 7.236 1.293 1.00 2.27 H new ATOM 0 HA ASP A 52 -18.239 9.290 2.214 1.00 2.61 H new ATOM 0 HB2 ASP A 52 -15.280 8.800 2.780 1.00 2.98 H new ATOM 0 HB3 ASP A 52 -16.229 10.138 3.395 1.00 2.98 H new ATOM 838 N VAL A 53 -16.950 9.259 -0.511 1.00 2.25 N ATOM 839 CA VAL A 53 -16.468 9.818 -1.779 1.00 2.14 C ATOM 840 C VAL A 53 -16.932 11.249 -2.069 1.00 2.21 C ATOM 841 O VAL A 53 -16.394 11.890 -2.969 1.00 2.27 O ATOM 842 CB VAL A 53 -16.857 8.906 -2.962 1.00 2.08 C ATOM 843 CG1 VAL A 53 -16.251 7.505 -2.840 1.00 2.64 C ATOM 844 CG2 VAL A 53 -18.378 8.783 -3.134 1.00 2.69 C ATOM 0 H VAL A 53 -17.416 8.361 -0.642 1.00 2.25 H new ATOM 0 HA VAL A 53 -15.385 9.864 -1.667 1.00 2.14 H new ATOM 0 HB VAL A 53 -16.444 9.393 -3.846 1.00 2.08 H new ATOM 0 HG11 VAL A 53 -16.554 6.902 -3.696 1.00 2.64 H new ATOM 0 HG12 VAL A 53 -15.164 7.580 -2.815 1.00 2.64 H new ATOM 0 HG13 VAL A 53 -16.603 7.035 -1.922 1.00 2.64 H new ATOM 0 HG21 VAL A 53 -18.597 8.131 -3.979 1.00 2.69 H new ATOM 0 HG22 VAL A 53 -18.814 8.361 -2.228 1.00 2.69 H new ATOM 0 HG23 VAL A 53 -18.804 9.769 -3.317 1.00 2.69 H new ATOM 854 N GLY A 54 -17.942 11.743 -1.351 1.00 2.27 N ATOM 855 CA GLY A 54 -18.322 13.142 -1.415 1.00 2.38 C ATOM 856 C GLY A 54 -17.123 14.027 -1.073 1.00 2.21 C ATOM 857 O GLY A 54 -16.776 14.926 -1.838 1.00 2.23 O ATOM 0 H GLY A 54 -18.511 11.184 -0.716 1.00 2.27 H new ATOM 0 HA2 GLY A 54 -18.689 13.382 -2.413 1.00 2.38 H new ATOM 0 HA3 GLY A 54 -19.139 13.338 -0.720 1.00 2.38 H new ATOM 861 N SER A 55 -16.468 13.758 0.063 1.00 2.14 N ATOM 862 CA SER A 55 -15.404 14.622 0.564 1.00 2.01 C ATOM 863 C SER A 55 -14.076 14.245 -0.095 1.00 1.63 C ATOM 864 O SER A 55 -13.115 13.828 0.551 1.00 1.55 O ATOM 865 CB SER A 55 -15.355 14.573 2.099 1.00 2.23 C ATOM 866 OG SER A 55 -14.756 15.751 2.592 1.00 2.89 O ATOM 0 H SER A 55 -16.660 12.946 0.650 1.00 2.14 H new ATOM 0 HA SER A 55 -15.608 15.659 0.296 1.00 2.01 H new ATOM 0 HB2 SER A 55 -16.363 14.470 2.502 1.00 2.23 H new ATOM 0 HB3 SER A 55 -14.789 13.701 2.427 1.00 2.23 H new ATOM 0 HG SER A 55 -14.182 15.531 3.355 1.00 2.89 H new ATOM 872 N LEU A 56 -14.031 14.355 -1.422 1.00 1.60 N ATOM 873 CA LEU A 56 -12.878 13.970 -2.190 1.00 1.41 C ATOM 874 C LEU A 56 -11.798 15.046 -2.077 1.00 1.31 C ATOM 875 O LEU A 56 -10.621 14.712 -2.005 1.00 1.17 O ATOM 876 CB LEU A 56 -13.354 13.678 -3.619 1.00 1.52 C ATOM 877 CG LEU A 56 -12.309 13.046 -4.545 1.00 1.41 C ATOM 878 CD1 LEU A 56 -11.466 14.128 -5.222 1.00 1.34 C ATOM 879 CD2 LEU A 56 -11.442 12.013 -3.831 1.00 1.33 C ATOM 0 H LEU A 56 -14.802 14.716 -1.984 1.00 1.60 H new ATOM 0 HA LEU A 56 -12.407 13.062 -1.814 1.00 1.41 H new ATOM 0 HB2 LEU A 56 -14.217 13.015 -3.568 1.00 1.52 H new ATOM 0 HB3 LEU A 56 -13.695 14.611 -4.068 1.00 1.52 H new ATOM 0 HG LEU A 56 -12.848 12.501 -5.320 1.00 1.41 H new ATOM 0 HD11 LEU A 56 -10.730 13.660 -5.875 1.00 1.34 H new ATOM 0 HD12 LEU A 56 -12.113 14.778 -5.811 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -10.954 14.718 -4.462 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -10.719 11.597 -4.533 1.00 1.33 H new ATOM 0 HD22 LEU A 56 -10.913 12.490 -3.006 1.00 1.33 H new ATOM 0 HD23 LEU A 56 -12.073 11.213 -3.444 1.00 1.33 H new ATOM 891 N ASP A 57 -12.170 16.328 -2.028 1.00 1.49 N ATOM 892 CA ASP A 57 -11.209 17.419 -1.897 1.00 1.50 C ATOM 893 C ASP A 57 -10.396 17.267 -0.603 1.00 1.45 C ATOM 894 O ASP A 57 -9.171 17.378 -0.625 1.00 1.37 O ATOM 895 CB ASP A 57 -11.921 18.779 -1.982 1.00 1.79 C ATOM 896 CG ASP A 57 -12.624 19.126 -0.682 1.00 3.34 C ATOM 897 OD1 ASP A 57 -13.367 18.243 -0.204 1.00 4.00 O ATOM 898 OD2 ASP A 57 -12.307 20.205 -0.134 1.00 4.67 O ATOM 0 H ASP A 57 -13.142 16.635 -2.078 1.00 1.49 H new ATOM 0 HA ASP A 57 -10.504 17.373 -2.727 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -11.195 19.556 -2.222 1.00 1.79 H new ATOM 0 HB3 ASP A 57 -12.647 18.760 -2.795 1.00 1.79 H new ATOM 903 N GLU A 58 -11.074 16.994 0.518 1.00 1.56 N ATOM 904 CA GLU A 58 -10.459 16.628 1.789 1.00 1.54 C ATOM 905 C GLU A 58 -9.362 15.592 1.543 1.00 1.34 C ATOM 906 O GLU A 58 -8.193 15.800 1.882 1.00 1.32 O ATOM 907 CB GLU A 58 -11.536 16.090 2.742 1.00 1.62 C ATOM 908 CG GLU A 58 -10.953 15.516 4.043 1.00 2.11 C ATOM 909 CD GLU A 58 -12.021 14.948 4.971 1.00 2.32 C ATOM 910 OE1 GLU A 58 -13.213 15.018 4.598 1.00 2.56 O ATOM 911 OE2 GLU A 58 -11.618 14.430 6.032 1.00 3.33 O ATOM 0 H GLU A 58 -12.093 17.024 0.562 1.00 1.56 H new ATOM 0 HA GLU A 58 -10.003 17.503 2.252 1.00 1.54 H new ATOM 0 HB2 GLU A 58 -12.232 16.893 2.985 1.00 1.62 H new ATOM 0 HB3 GLU A 58 -12.109 15.314 2.234 1.00 1.62 H new ATOM 0 HG2 GLU A 58 -10.236 14.732 3.799 1.00 2.11 H new ATOM 0 HG3 GLU A 58 -10.404 16.299 4.566 1.00 2.11 H new ATOM 918 N LYS A 59 -9.742 14.464 0.938 1.00 1.23 N ATOM 919 CA LYS A 59 -8.785 13.412 0.674 1.00 1.13 C ATOM 920 C LYS A 59 -7.663 13.915 -0.232 1.00 1.02 C ATOM 921 O LYS A 59 -6.504 13.671 0.076 1.00 0.94 O ATOM 922 CB LYS A 59 -9.464 12.144 0.143 1.00 1.16 C ATOM 923 CG LYS A 59 -10.359 11.454 1.189 1.00 1.68 C ATOM 924 CD LYS A 59 -9.645 10.386 2.044 1.00 2.09 C ATOM 925 CE LYS A 59 -8.598 10.960 3.014 1.00 3.43 C ATOM 926 NZ LYS A 59 -8.084 9.960 3.973 1.00 5.34 N ATOM 0 H LYS A 59 -10.694 14.266 0.629 1.00 1.23 H new ATOM 0 HA LYS A 59 -8.323 13.125 1.619 1.00 1.13 H new ATOM 0 HB2 LYS A 59 -10.066 12.400 -0.729 1.00 1.16 H new ATOM 0 HB3 LYS A 59 -8.700 11.443 -0.191 1.00 1.16 H new ATOM 0 HG2 LYS A 59 -10.772 12.214 1.852 1.00 1.68 H new ATOM 0 HG3 LYS A 59 -11.200 10.987 0.676 1.00 1.68 H new ATOM 0 HD2 LYS A 59 -10.391 9.834 2.616 1.00 2.09 H new ATOM 0 HD3 LYS A 59 -9.158 9.671 1.381 1.00 2.09 H new ATOM 0 HE2 LYS A 59 -7.765 11.366 2.441 1.00 3.43 H new ATOM 0 HE3 LYS A 59 -9.040 11.790 3.566 1.00 3.43 H new ATOM 0 HZ1 LYS A 59 -7.881 10.423 4.882 1.00 5.34 H new ATOM 0 HZ2 LYS A 59 -8.797 9.216 4.114 1.00 5.34 H new ATOM 0 HZ3 LYS A 59 -7.211 9.536 3.598 1.00 5.34 H new ATOM 940 N MET A 60 -7.966 14.643 -1.308 1.00 1.07 N ATOM 941 CA MET A 60 -6.963 15.187 -2.217 1.00 1.02 C ATOM 942 C MET A 60 -5.908 15.947 -1.419 1.00 0.98 C ATOM 943 O MET A 60 -4.726 15.624 -1.499 1.00 0.89 O ATOM 944 CB MET A 60 -7.631 16.052 -3.299 1.00 1.16 C ATOM 945 CG MET A 60 -6.619 16.671 -4.274 1.00 1.12 C ATOM 946 SD MET A 60 -5.815 18.192 -3.702 1.00 1.51 S ATOM 947 CE MET A 60 -4.706 18.488 -5.089 1.00 1.42 C ATOM 0 H MET A 60 -8.924 14.872 -1.573 1.00 1.07 H new ATOM 0 HA MET A 60 -6.455 14.376 -2.739 1.00 1.02 H new ATOM 0 HB2 MET A 60 -8.341 15.443 -3.858 1.00 1.16 H new ATOM 0 HB3 MET A 60 -8.201 16.848 -2.821 1.00 1.16 H new ATOM 0 HG2 MET A 60 -5.848 15.931 -4.488 1.00 1.12 H new ATOM 0 HG3 MET A 60 -7.129 16.881 -5.214 1.00 1.12 H new ATOM 0 HE1 MET A 60 -4.128 19.393 -4.906 1.00 1.42 H new ATOM 0 HE2 MET A 60 -4.029 17.641 -5.201 1.00 1.42 H new ATOM 0 HE3 MET A 60 -5.289 18.609 -6.002 1.00 1.42 H new ATOM 957 N LYS A 61 -6.343 16.916 -0.611 1.00 1.10 N ATOM 958 CA LYS A 61 -5.451 17.679 0.248 1.00 1.13 C ATOM 959 C LYS A 61 -4.675 16.754 1.195 1.00 1.06 C ATOM 960 O LYS A 61 -3.496 16.983 1.450 1.00 1.10 O ATOM 961 CB LYS A 61 -6.258 18.752 0.995 1.00 1.28 C ATOM 962 CG LYS A 61 -6.658 19.879 0.025 1.00 1.46 C ATOM 963 CD LYS A 61 -7.693 20.848 0.620 1.00 1.69 C ATOM 964 CE LYS A 61 -9.104 20.248 0.525 1.00 1.95 C ATOM 965 NZ LYS A 61 -10.165 21.161 0.994 1.00 3.15 N ATOM 0 H LYS A 61 -7.323 17.189 -0.538 1.00 1.10 H new ATOM 0 HA LYS A 61 -4.702 18.187 -0.359 1.00 1.13 H new ATOM 0 HB2 LYS A 61 -7.150 18.307 1.436 1.00 1.28 H new ATOM 0 HB3 LYS A 61 -5.666 19.159 1.815 1.00 1.28 H new ATOM 0 HG2 LYS A 61 -5.767 20.439 -0.260 1.00 1.46 H new ATOM 0 HG3 LYS A 61 -7.063 19.439 -0.886 1.00 1.46 H new ATOM 0 HD2 LYS A 61 -7.449 21.056 1.662 1.00 1.69 H new ATOM 0 HD3 LYS A 61 -7.659 21.799 0.088 1.00 1.69 H new ATOM 0 HE2 LYS A 61 -9.304 19.973 -0.510 1.00 1.95 H new ATOM 0 HE3 LYS A 61 -9.140 19.330 1.112 1.00 1.95 H new ATOM 0 HZ1 LYS A 61 -11.094 20.714 0.855 1.00 3.15 H new ATOM 0 HZ2 LYS A 61 -10.026 21.365 2.004 1.00 3.15 H new ATOM 0 HZ3 LYS A 61 -10.124 22.048 0.453 1.00 3.15 H new ATOM 979 N SER A 62 -5.314 15.696 1.703 1.00 1.01 N ATOM 980 CA SER A 62 -4.632 14.709 2.532 1.00 1.01 C ATOM 981 C SER A 62 -3.519 13.977 1.765 1.00 0.94 C ATOM 982 O SER A 62 -2.423 13.798 2.294 1.00 1.06 O ATOM 983 CB SER A 62 -5.626 13.702 3.123 1.00 1.07 C ATOM 984 OG SER A 62 -6.716 14.348 3.753 1.00 1.88 O ATOM 0 H SER A 62 -6.304 15.505 1.552 1.00 1.01 H new ATOM 0 HA SER A 62 -4.162 15.256 3.350 1.00 1.01 H new ATOM 0 HB2 SER A 62 -5.997 13.051 2.332 1.00 1.07 H new ATOM 0 HB3 SER A 62 -5.114 13.066 3.845 1.00 1.07 H new ATOM 0 HG SER A 62 -7.270 14.789 3.076 1.00 1.88 H new ATOM 990 N LEU A 63 -3.791 13.490 0.549 1.00 0.84 N ATOM 991 CA LEU A 63 -2.797 12.773 -0.246 1.00 0.86 C ATOM 992 C LEU A 63 -1.683 13.736 -0.650 1.00 0.84 C ATOM 993 O LEU A 63 -0.513 13.497 -0.346 1.00 0.88 O ATOM 994 CB LEU A 63 -3.388 12.193 -1.539 1.00 0.92 C ATOM 995 CG LEU A 63 -4.168 10.876 -1.449 1.00 1.05 C ATOM 996 CD1 LEU A 63 -5.569 11.104 -0.904 1.00 1.48 C ATOM 997 CD2 LEU A 63 -4.328 10.322 -2.868 1.00 2.03 C ATOM 0 H LEU A 63 -4.699 13.582 0.094 1.00 0.84 H new ATOM 0 HA LEU A 63 -2.428 11.955 0.373 1.00 0.86 H new ATOM 0 HB2 LEU A 63 -4.050 12.944 -1.969 1.00 0.92 H new ATOM 0 HB3 LEU A 63 -2.570 12.048 -2.244 1.00 0.92 H new ATOM 0 HG LEU A 63 -3.625 10.197 -0.791 1.00 1.05 H new ATOM 0 HD11 LEU A 63 -6.098 10.153 -0.851 1.00 1.48 H new ATOM 0 HD12 LEU A 63 -5.505 11.539 0.093 1.00 1.48 H new ATOM 0 HD13 LEU A 63 -6.109 11.784 -1.563 1.00 1.48 H new ATOM 0 HD21 LEU A 63 -4.881 9.383 -2.832 1.00 2.03 H new ATOM 0 HD22 LEU A 63 -4.873 11.041 -3.480 1.00 2.03 H new ATOM 0 HD23 LEU A 63 -3.344 10.147 -3.303 1.00 2.03 H new ATOM 1009 N ASP A 64 -2.067 14.782 -1.385 1.00 0.82 N ATOM 1010 CA ASP A 64 -1.172 15.696 -2.070 1.00 0.87 C ATOM 1011 C ASP A 64 -0.542 16.651 -1.061 1.00 1.06 C ATOM 1012 O ASP A 64 -0.911 17.822 -0.976 1.00 1.22 O ATOM 1013 CB ASP A 64 -1.939 16.442 -3.172 1.00 0.88 C ATOM 1014 CG ASP A 64 -1.031 17.357 -3.975 1.00 1.01 C ATOM 1015 OD1 ASP A 64 0.205 17.178 -3.892 1.00 1.15 O ATOM 1016 OD2 ASP A 64 -1.559 18.212 -4.714 1.00 1.58 O ATOM 0 H ASP A 64 -3.050 15.018 -1.520 1.00 0.82 H new ATOM 0 HA ASP A 64 -0.364 15.142 -2.548 1.00 0.87 H new ATOM 0 HB2 ASP A 64 -2.409 15.720 -3.840 1.00 0.88 H new ATOM 0 HB3 ASP A 64 -2.740 17.029 -2.723 1.00 0.88 H new ATOM 1021 N VAL A 65 0.413 16.132 -0.288 1.00 1.12 N ATOM 1022 CA VAL A 65 1.086 16.838 0.793 1.00 1.32 C ATOM 1023 C VAL A 65 1.521 18.257 0.408 1.00 1.34 C ATOM 1024 O VAL A 65 1.472 19.156 1.245 1.00 1.45 O ATOM 1025 CB VAL A 65 2.274 16.012 1.323 1.00 1.53 C ATOM 1026 CG1 VAL A 65 1.797 14.718 1.996 1.00 1.73 C ATOM 1027 CG2 VAL A 65 3.302 15.667 0.232 1.00 1.75 C ATOM 0 H VAL A 65 0.748 15.176 -0.405 1.00 1.12 H new ATOM 0 HA VAL A 65 0.356 16.956 1.594 1.00 1.32 H new ATOM 0 HB VAL A 65 2.768 16.647 2.058 1.00 1.53 H new ATOM 0 HG11 VAL A 65 2.659 14.158 2.359 1.00 1.73 H new ATOM 0 HG12 VAL A 65 1.144 14.963 2.834 1.00 1.73 H new ATOM 0 HG13 VAL A 65 1.249 14.113 1.274 1.00 1.73 H new ATOM 0 HG21 VAL A 65 4.114 15.085 0.668 1.00 1.75 H new ATOM 0 HG22 VAL A 65 2.819 15.085 -0.552 1.00 1.75 H new ATOM 0 HG23 VAL A 65 3.703 16.587 -0.194 1.00 1.75 H new ATOM 1037 N ASN A 66 1.969 18.460 -0.838 1.00 1.28 N ATOM 1038 CA ASN A 66 2.488 19.743 -1.303 1.00 1.34 C ATOM 1039 C ASN A 66 1.486 20.522 -2.163 1.00 1.45 C ATOM 1040 O ASN A 66 1.859 21.554 -2.715 1.00 1.81 O ATOM 1041 CB ASN A 66 3.819 19.532 -2.035 1.00 1.31 C ATOM 1042 CG ASN A 66 3.632 18.887 -3.403 1.00 1.53 C ATOM 1043 OD1 ASN A 66 3.028 17.820 -3.531 1.00 1.16 O ATOM 1044 ND2 ASN A 66 4.149 19.510 -4.453 1.00 2.84 N ATOM 0 H ASN A 66 1.980 17.732 -1.552 1.00 1.28 H new ATOM 0 HA ASN A 66 2.660 20.364 -0.424 1.00 1.34 H new ATOM 0 HB2 ASN A 66 4.321 20.492 -2.154 1.00 1.31 H new ATOM 0 HB3 ASN A 66 4.470 18.905 -1.426 1.00 1.31 H new ATOM 0 HD21 ASN A 66 4.050 19.107 -5.385 1.00 2.84 H new ATOM 0 HD22 ASN A 66 4.646 20.392 -4.329 1.00 2.84 H new ATOM 1051 N GLN A 67 0.234 20.059 -2.258 1.00 1.26 N ATOM 1052 CA GLN A 67 -0.884 20.748 -2.894 1.00 1.30 C ATOM 1053 C GLN A 67 -0.512 21.318 -4.271 1.00 1.34 C ATOM 1054 O GLN A 67 -0.619 22.520 -4.507 1.00 1.47 O ATOM 1055 CB GLN A 67 -1.471 21.786 -1.924 1.00 1.47 C ATOM 1056 CG GLN A 67 -2.908 22.166 -2.315 1.00 2.24 C ATOM 1057 CD GLN A 67 -3.560 23.098 -1.297 1.00 2.48 C ATOM 1058 OE1 GLN A 67 -4.020 24.182 -1.637 1.00 3.36 O ATOM 1059 NE2 GLN A 67 -3.627 22.680 -0.036 1.00 2.84 N ATOM 0 H GLN A 67 -0.035 19.153 -1.875 1.00 1.26 H new ATOM 0 HA GLN A 67 -1.672 20.026 -3.108 1.00 1.30 H new ATOM 0 HB2 GLN A 67 -1.462 21.386 -0.910 1.00 1.47 H new ATOM 0 HB3 GLN A 67 -0.845 22.678 -1.920 1.00 1.47 H new ATOM 0 HG2 GLN A 67 -2.900 22.648 -3.293 1.00 2.24 H new ATOM 0 HG3 GLN A 67 -3.507 21.261 -2.411 1.00 2.24 H new ATOM 0 HE21 GLN A 67 -3.237 21.774 0.222 1.00 2.84 H new ATOM 0 HE22 GLN A 67 -4.069 23.266 0.673 1.00 2.84 H new ATOM 1068 N ASP A 68 -0.090 20.436 -5.179 1.00 1.36 N ATOM 1069 CA ASP A 68 0.291 20.754 -6.554 1.00 1.41 C ATOM 1070 C ASP A 68 -0.743 20.238 -7.565 1.00 1.47 C ATOM 1071 O ASP A 68 -0.657 20.579 -8.742 1.00 2.00 O ATOM 1072 CB ASP A 68 1.702 20.212 -6.859 1.00 1.34 C ATOM 1073 CG ASP A 68 1.832 18.721 -6.627 1.00 1.15 C ATOM 1074 OD1 ASP A 68 0.818 18.016 -6.481 1.00 1.10 O ATOM 1075 OD2 ASP A 68 2.935 18.186 -6.382 1.00 1.18 O ATOM 0 H ASP A 68 -0.001 19.442 -4.967 1.00 1.36 H new ATOM 0 HA ASP A 68 0.314 21.839 -6.655 1.00 1.41 H new ATOM 0 HB2 ASP A 68 1.953 20.435 -7.896 1.00 1.34 H new ATOM 0 HB3 ASP A 68 2.427 20.735 -6.236 1.00 1.34 H new ATOM 1080 N SER A 69 -1.717 19.426 -7.136 1.00 1.23 N ATOM 1081 CA SER A 69 -2.639 18.714 -8.017 1.00 1.26 C ATOM 1082 C SER A 69 -1.909 17.724 -8.927 1.00 1.11 C ATOM 1083 O SER A 69 -2.425 17.360 -9.982 1.00 1.20 O ATOM 1084 CB SER A 69 -3.541 19.681 -8.794 1.00 1.49 C ATOM 1085 OG SER A 69 -4.164 20.572 -7.888 1.00 1.66 O ATOM 0 H SER A 69 -1.886 19.245 -6.147 1.00 1.23 H new ATOM 0 HA SER A 69 -3.298 18.118 -7.386 1.00 1.26 H new ATOM 0 HB2 SER A 69 -2.953 20.238 -9.523 1.00 1.49 H new ATOM 0 HB3 SER A 69 -4.295 19.125 -9.351 1.00 1.49 H new ATOM 0 HG SER A 69 -4.740 21.192 -8.383 1.00 1.66 H new ATOM 1091 N GLU A 70 -0.742 17.255 -8.479 1.00 0.97 N ATOM 1092 CA GLU A 70 0.018 16.167 -9.053 1.00 0.87 C ATOM 1093 C GLU A 70 0.217 15.118 -7.962 1.00 0.81 C ATOM 1094 O GLU A 70 1.070 15.247 -7.071 1.00 0.86 O ATOM 1095 CB GLU A 70 1.347 16.668 -9.624 1.00 0.96 C ATOM 1096 CG GLU A 70 1.098 17.624 -10.801 1.00 1.28 C ATOM 1097 CD GLU A 70 2.294 17.694 -11.734 1.00 2.09 C ATOM 1098 OE1 GLU A 70 2.795 16.609 -12.111 1.00 2.66 O ATOM 1099 OE2 GLU A 70 2.694 18.814 -12.128 1.00 3.23 O ATOM 0 H GLU A 70 -0.285 17.654 -7.659 1.00 0.97 H new ATOM 0 HA GLU A 70 -0.518 15.722 -9.891 1.00 0.87 H new ATOM 0 HB2 GLU A 70 1.915 17.179 -8.846 1.00 0.96 H new ATOM 0 HB3 GLU A 70 1.950 15.822 -9.955 1.00 0.96 H new ATOM 0 HG2 GLU A 70 0.221 17.294 -11.358 1.00 1.28 H new ATOM 0 HG3 GLU A 70 0.876 18.621 -10.419 1.00 1.28 H new ATOM 1106 N LEU A 71 -0.603 14.074 -8.040 1.00 0.76 N ATOM 1107 CA LEU A 71 -0.494 12.870 -7.248 1.00 0.80 C ATOM 1108 C LEU A 71 0.474 11.952 -8.008 1.00 0.92 C ATOM 1109 O LEU A 71 0.036 11.080 -8.756 1.00 0.97 O ATOM 1110 CB LEU A 71 -1.886 12.226 -7.117 1.00 0.79 C ATOM 1111 CG LEU A 71 -2.936 12.934 -6.236 1.00 0.78 C ATOM 1112 CD1 LEU A 71 -2.631 12.790 -4.745 1.00 0.80 C ATOM 1113 CD2 LEU A 71 -3.176 14.410 -6.579 1.00 0.85 C ATOM 0 H LEU A 71 -1.392 14.051 -8.686 1.00 0.76 H new ATOM 0 HA LEU A 71 -0.127 13.063 -6.240 1.00 0.80 H new ATOM 0 HB2 LEU A 71 -2.303 12.128 -8.119 1.00 0.79 H new ATOM 0 HB3 LEU A 71 -1.751 11.217 -6.728 1.00 0.79 H new ATOM 0 HG LEU A 71 -3.863 12.410 -6.468 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -3.397 13.305 -4.165 1.00 0.80 H new ATOM 0 HD12 LEU A 71 -2.621 11.734 -4.476 1.00 0.80 H new ATOM 0 HD13 LEU A 71 -1.657 13.229 -4.529 1.00 0.80 H new ATOM 0 HD21 LEU A 71 -3.929 14.822 -5.907 1.00 0.85 H new ATOM 0 HD22 LEU A 71 -2.245 14.966 -6.465 1.00 0.85 H new ATOM 0 HD23 LEU A 71 -3.524 14.492 -7.609 1.00 0.85 H new ATOM 1125 N LYS A 72 1.784 12.192 -7.877 1.00 1.08 N ATOM 1126 CA LYS A 72 2.812 11.317 -8.448 1.00 1.24 C ATOM 1127 C LYS A 72 2.848 9.975 -7.715 1.00 0.96 C ATOM 1128 O LYS A 72 2.225 9.845 -6.665 1.00 0.85 O ATOM 1129 CB LYS A 72 4.174 12.027 -8.441 1.00 1.68 C ATOM 1130 CG LYS A 72 4.741 12.250 -7.033 1.00 1.31 C ATOM 1131 CD LYS A 72 5.971 13.162 -7.123 1.00 1.58 C ATOM 1132 CE LYS A 72 6.519 13.493 -5.729 1.00 3.21 C ATOM 1133 NZ LYS A 72 7.641 14.454 -5.792 1.00 3.96 N ATOM 0 H LYS A 72 2.159 12.996 -7.374 1.00 1.08 H new ATOM 0 HA LYS A 72 2.563 11.101 -9.487 1.00 1.24 H new ATOM 0 HB2 LYS A 72 4.885 11.438 -9.021 1.00 1.68 H new ATOM 0 HB3 LYS A 72 4.075 12.990 -8.941 1.00 1.68 H new ATOM 0 HG2 LYS A 72 3.985 12.702 -6.391 1.00 1.31 H new ATOM 0 HG3 LYS A 72 5.013 11.296 -6.582 1.00 1.31 H new ATOM 0 HD2 LYS A 72 6.746 12.675 -7.715 1.00 1.58 H new ATOM 0 HD3 LYS A 72 5.706 14.084 -7.641 1.00 1.58 H new ATOM 0 HE2 LYS A 72 5.720 13.907 -5.114 1.00 3.21 H new ATOM 0 HE3 LYS A 72 6.853 12.576 -5.243 1.00 3.21 H new ATOM 0 HZ1 LYS A 72 7.983 14.652 -4.830 1.00 3.96 H new ATOM 0 HZ2 LYS A 72 8.414 14.049 -6.358 1.00 3.96 H new ATOM 0 HZ3 LYS A 72 7.316 15.338 -6.233 1.00 3.96 H new ATOM 1147 N PHE A 73 3.615 9.006 -8.222 1.00 0.90 N ATOM 1148 CA PHE A 73 3.576 7.594 -7.829 1.00 0.82 C ATOM 1149 C PHE A 73 3.350 7.401 -6.326 1.00 0.72 C ATOM 1150 O PHE A 73 2.344 6.822 -5.920 1.00 0.73 O ATOM 1151 CB PHE A 73 4.883 6.917 -8.290 1.00 0.81 C ATOM 1152 CG PHE A 73 4.849 5.427 -8.600 1.00 2.01 C ATOM 1153 CD1 PHE A 73 4.119 4.512 -7.812 1.00 3.56 C ATOM 1154 CD2 PHE A 73 5.614 4.946 -9.682 1.00 2.97 C ATOM 1155 CE1 PHE A 73 4.122 3.142 -8.134 1.00 5.09 C ATOM 1156 CE2 PHE A 73 5.632 3.575 -9.990 1.00 4.42 C ATOM 1157 CZ PHE A 73 4.871 2.675 -9.227 1.00 5.29 C ATOM 0 H PHE A 73 4.308 9.191 -8.947 1.00 0.90 H new ATOM 0 HA PHE A 73 2.721 7.125 -8.316 1.00 0.82 H new ATOM 0 HB2 PHE A 73 5.230 7.436 -9.184 1.00 0.81 H new ATOM 0 HB3 PHE A 73 5.633 7.079 -7.516 1.00 0.81 H new ATOM 0 HD1 PHE A 73 3.557 4.864 -6.960 1.00 3.56 H new ATOM 0 HD2 PHE A 73 6.191 5.637 -10.279 1.00 2.97 H new ATOM 0 HE1 PHE A 73 3.547 2.448 -7.539 1.00 5.09 H new ATOM 0 HE2 PHE A 73 6.231 3.214 -10.813 1.00 4.42 H new ATOM 0 HZ PHE A 73 4.861 1.625 -9.480 1.00 5.29 H new ATOM 1167 N ASN A 74 4.259 7.901 -5.482 1.00 0.67 N ATOM 1168 CA ASN A 74 4.137 7.697 -4.043 1.00 0.70 C ATOM 1169 C ASN A 74 2.941 8.464 -3.468 1.00 0.84 C ATOM 1170 O ASN A 74 2.177 7.916 -2.674 1.00 1.15 O ATOM 1171 CB ASN A 74 5.440 8.055 -3.320 1.00 0.70 C ATOM 1172 CG ASN A 74 5.324 7.801 -1.818 1.00 1.02 C ATOM 1173 OD1 ASN A 74 5.531 8.696 -1.006 1.00 1.99 O ATOM 1174 ND2 ASN A 74 5.017 6.569 -1.431 1.00 2.47 N ATOM 0 H ASN A 74 5.075 8.442 -5.769 1.00 0.67 H new ATOM 0 HA ASN A 74 3.951 6.637 -3.873 1.00 0.70 H new ATOM 0 HB2 ASN A 74 6.260 7.465 -3.729 1.00 0.70 H new ATOM 0 HB3 ASN A 74 5.682 9.103 -3.497 1.00 0.70 H new ATOM 0 HD21 ASN A 74 4.949 6.349 -0.437 1.00 2.47 H new ATOM 0 HD22 ASN A 74 4.850 5.843 -2.127 1.00 2.47 H new ATOM 1181 N GLU A 75 2.776 9.724 -3.882 1.00 0.72 N ATOM 1182 CA GLU A 75 1.667 10.564 -3.456 1.00 0.85 C ATOM 1183 C GLU A 75 0.321 9.918 -3.795 1.00 0.90 C ATOM 1184 O GLU A 75 -0.645 10.105 -3.062 1.00 1.34 O ATOM 1185 CB GLU A 75 1.745 11.953 -4.096 1.00 0.94 C ATOM 1186 CG GLU A 75 2.984 12.764 -3.697 1.00 0.88 C ATOM 1187 CD GLU A 75 2.788 14.210 -4.118 1.00 0.83 C ATOM 1188 OE1 GLU A 75 1.956 14.916 -3.524 1.00 1.63 O ATOM 1189 OE2 GLU A 75 3.337 14.687 -5.133 1.00 1.86 O ATOM 0 H GLU A 75 3.416 10.187 -4.527 1.00 0.72 H new ATOM 0 HA GLU A 75 1.744 10.671 -2.374 1.00 0.85 H new ATOM 0 HB2 GLU A 75 1.732 11.842 -5.180 1.00 0.94 H new ATOM 0 HB3 GLU A 75 0.853 12.517 -3.823 1.00 0.94 H new ATOM 0 HG2 GLU A 75 3.142 12.704 -2.620 1.00 0.88 H new ATOM 0 HG3 GLU A 75 3.873 12.351 -4.173 1.00 0.88 H new ATOM 1196 N TYR A 76 0.241 9.176 -4.900 1.00 0.75 N ATOM 1197 CA TYR A 76 -0.962 8.451 -5.264 1.00 0.71 C ATOM 1198 C TYR A 76 -1.074 7.168 -4.451 1.00 0.69 C ATOM 1199 O TYR A 76 -2.127 6.902 -3.875 1.00 0.65 O ATOM 1200 CB TYR A 76 -0.991 8.154 -6.761 1.00 0.73 C ATOM 1201 CG TYR A 76 -2.358 7.686 -7.209 1.00 0.97 C ATOM 1202 CD1 TYR A 76 -3.442 8.581 -7.157 1.00 2.47 C ATOM 1203 CD2 TYR A 76 -2.572 6.356 -7.616 1.00 1.63 C ATOM 1204 CE1 TYR A 76 -4.705 8.181 -7.610 1.00 3.10 C ATOM 1205 CE2 TYR A 76 -3.819 5.983 -8.149 1.00 1.94 C ATOM 1206 CZ TYR A 76 -4.868 6.916 -8.194 1.00 2.37 C ATOM 1207 OH TYR A 76 -5.973 6.655 -8.943 1.00 3.23 O ATOM 0 H TYR A 76 1.009 9.065 -5.562 1.00 0.75 H new ATOM 0 HA TYR A 76 -1.823 9.079 -5.035 1.00 0.71 H new ATOM 0 HB2 TYR A 76 -0.713 9.050 -7.316 1.00 0.73 H new ATOM 0 HB3 TYR A 76 -0.249 7.390 -6.996 1.00 0.73 H new ATOM 0 HD1 TYR A 76 -3.300 9.578 -6.767 1.00 2.47 H new ATOM 0 HD2 TYR A 76 -1.783 5.625 -7.520 1.00 1.63 H new ATOM 0 HE1 TYR A 76 -5.551 8.844 -7.510 1.00 3.10 H new ATOM 0 HE2 TYR A 76 -3.970 4.981 -8.523 1.00 1.94 H new ATOM 0 HH TYR A 76 -5.724 6.098 -9.710 1.00 3.23 H new ATOM 1217 N TRP A 77 0.015 6.390 -4.381 1.00 0.74 N ATOM 1218 CA TRP A 77 0.089 5.166 -3.591 1.00 0.70 C ATOM 1219 C TRP A 77 -0.428 5.382 -2.154 1.00 0.60 C ATOM 1220 O TRP A 77 -1.007 4.469 -1.560 1.00 0.61 O ATOM 1221 CB TRP A 77 1.497 4.545 -3.653 1.00 0.91 C ATOM 1222 CG TRP A 77 1.667 3.462 -2.640 1.00 0.97 C ATOM 1223 CD1 TRP A 77 2.253 3.663 -1.450 1.00 1.31 C ATOM 1224 CD2 TRP A 77 1.037 2.147 -2.536 1.00 2.33 C ATOM 1225 NE1 TRP A 77 1.876 2.660 -0.586 1.00 1.40 N ATOM 1226 CE2 TRP A 77 1.046 1.749 -1.171 1.00 1.98 C ATOM 1227 CE3 TRP A 77 0.423 1.247 -3.418 1.00 4.13 C ATOM 1228 CZ2 TRP A 77 0.329 0.638 -0.696 1.00 3.18 C ATOM 1229 CZ3 TRP A 77 0.153 -0.057 -2.946 1.00 5.08 C ATOM 1230 CH2 TRP A 77 -0.293 -0.185 -1.631 1.00 4.78 C ATOM 0 H TRP A 77 0.879 6.602 -4.881 1.00 0.74 H new ATOM 0 HA TRP A 77 -0.583 4.433 -4.036 1.00 0.70 H new ATOM 0 HB2 TRP A 77 1.673 4.142 -4.650 1.00 0.91 H new ATOM 0 HB3 TRP A 77 2.245 5.320 -3.486 1.00 0.91 H new ATOM 0 HD1 TRP A 77 2.915 4.481 -1.208 1.00 1.31 H new ATOM 0 HE1 TRP A 77 2.183 2.604 0.385 1.00 1.40 H new ATOM 0 HE3 TRP A 77 0.165 1.541 -4.425 1.00 4.13 H new ATOM 0 HZ2 TRP A 77 0.262 0.429 0.361 1.00 3.18 H new ATOM 0 HZ3 TRP A 77 0.287 -0.921 -3.579 1.00 5.08 H new ATOM 0 HH2 TRP A 77 -1.073 -0.880 -1.355 1.00 4.78 H new ATOM 1241 N ARG A 78 -0.297 6.607 -1.628 1.00 0.72 N ATOM 1242 CA ARG A 78 -0.973 7.061 -0.401 1.00 0.88 C ATOM 1243 C ARG A 78 -2.382 6.484 -0.312 1.00 0.77 C ATOM 1244 O ARG A 78 -2.700 5.788 0.651 1.00 0.83 O ATOM 1245 CB ARG A 78 -1.097 8.593 -0.334 1.00 1.20 C ATOM 1246 CG ARG A 78 0.232 9.338 -0.151 1.00 2.12 C ATOM 1247 CD ARG A 78 0.564 9.547 1.330 1.00 1.74 C ATOM 1248 NE ARG A 78 -0.162 10.699 1.901 1.00 2.13 N ATOM 1249 CZ ARG A 78 -0.399 10.882 3.212 1.00 2.47 C ATOM 1250 NH1 ARG A 78 0.018 9.975 4.103 1.00 2.84 N ATOM 1251 NH2 ARG A 78 -1.041 11.971 3.642 1.00 3.66 N ATOM 0 H ARG A 78 0.292 7.325 -2.050 1.00 0.72 H new ATOM 0 HA ARG A 78 -0.356 6.711 0.427 1.00 0.88 H new ATOM 0 HB2 ARG A 78 -1.572 8.946 -1.249 1.00 1.20 H new ATOM 0 HB3 ARG A 78 -1.760 8.854 0.490 1.00 1.20 H new ATOM 0 HG2 ARG A 78 1.034 8.774 -0.628 1.00 2.12 H new ATOM 0 HG3 ARG A 78 0.180 10.304 -0.652 1.00 2.12 H new ATOM 0 HD2 ARG A 78 0.312 8.646 1.889 1.00 1.74 H new ATOM 0 HD3 ARG A 78 1.637 9.702 1.443 1.00 1.74 H new ATOM 0 HE ARG A 78 -0.509 11.407 1.254 1.00 2.13 H new ATOM 0 HH11 ARG A 78 0.517 9.143 3.788 1.00 2.84 H new ATOM 0 HH12 ARG A 78 -0.163 10.116 5.097 1.00 2.84 H new ATOM 0 HH21 ARG A 78 -1.357 12.674 2.974 1.00 3.66 H new ATOM 0 HH22 ARG A 78 -1.216 12.100 4.639 1.00 3.66 H new ATOM 1265 N LEU A 79 -3.203 6.736 -1.335 1.00 0.69 N ATOM 1266 CA LEU A 79 -4.573 6.271 -1.405 1.00 0.69 C ATOM 1267 C LEU A 79 -4.667 4.788 -1.090 1.00 0.73 C ATOM 1268 O LEU A 79 -5.568 4.361 -0.382 1.00 0.80 O ATOM 1269 CB LEU A 79 -5.116 6.492 -2.823 1.00 0.63 C ATOM 1270 CG LEU A 79 -6.635 6.287 -2.919 1.00 0.67 C ATOM 1271 CD1 LEU A 79 -7.395 7.317 -2.079 1.00 0.68 C ATOM 1272 CD2 LEU A 79 -7.035 6.358 -4.393 1.00 0.79 C ATOM 0 H LEU A 79 -2.919 7.281 -2.149 1.00 0.69 H new ATOM 0 HA LEU A 79 -5.154 6.831 -0.672 1.00 0.69 H new ATOM 0 HB2 LEU A 79 -4.869 7.503 -3.148 1.00 0.63 H new ATOM 0 HB3 LEU A 79 -4.618 5.807 -3.509 1.00 0.63 H new ATOM 0 HG LEU A 79 -6.900 5.310 -2.515 1.00 0.67 H new ATOM 0 HD11 LEU A 79 -8.467 7.142 -2.171 1.00 0.68 H new ATOM 0 HD12 LEU A 79 -7.100 7.223 -1.034 1.00 0.68 H new ATOM 0 HD13 LEU A 79 -7.160 8.321 -2.434 1.00 0.68 H new ATOM 0 HD21 LEU A 79 -8.112 6.215 -4.485 1.00 0.79 H new ATOM 0 HD22 LEU A 79 -6.763 7.333 -4.797 1.00 0.79 H new ATOM 0 HD23 LEU A 79 -6.516 5.577 -4.949 1.00 0.79 H new ATOM 1284 N ILE A 80 -3.749 3.998 -1.641 1.00 0.73 N ATOM 1285 CA ILE A 80 -3.875 2.547 -1.618 1.00 0.80 C ATOM 1286 C ILE A 80 -3.407 2.056 -0.249 1.00 0.81 C ATOM 1287 O ILE A 80 -3.939 1.093 0.305 1.00 0.86 O ATOM 1288 CB ILE A 80 -3.181 1.895 -2.831 1.00 0.93 C ATOM 1289 CG1 ILE A 80 -3.813 2.378 -4.156 1.00 1.18 C ATOM 1290 CG2 ILE A 80 -3.364 0.370 -2.790 1.00 1.16 C ATOM 1291 CD1 ILE A 80 -3.037 3.515 -4.819 1.00 1.95 C ATOM 0 H ILE A 80 -2.910 4.341 -2.109 1.00 0.73 H new ATOM 0 HA ILE A 80 -4.913 2.237 -1.733 1.00 0.80 H new ATOM 0 HB ILE A 80 -2.128 2.172 -2.784 1.00 0.93 H new ATOM 0 HG12 ILE A 80 -3.875 1.538 -4.848 1.00 1.18 H new ATOM 0 HG13 ILE A 80 -4.834 2.708 -3.964 1.00 1.18 H new ATOM 0 HG21 ILE A 80 -2.870 -0.079 -3.651 1.00 1.16 H new ATOM 0 HG22 ILE A 80 -2.925 -0.025 -1.873 1.00 1.16 H new ATOM 0 HG23 ILE A 80 -4.427 0.130 -2.816 1.00 1.16 H new ATOM 0 HD11 ILE A 80 -3.536 3.805 -5.744 1.00 1.95 H new ATOM 0 HD12 ILE A 80 -2.997 4.370 -4.144 1.00 1.95 H new ATOM 0 HD13 ILE A 80 -2.023 3.182 -5.042 1.00 1.95 H new ATOM 1303 N GLY A 81 -2.476 2.800 0.353 1.00 0.90 N ATOM 1304 CA GLY A 81 -2.179 2.651 1.753 1.00 1.01 C ATOM 1305 C GLY A 81 -3.432 2.841 2.577 1.00 1.03 C ATOM 1306 O GLY A 81 -3.775 2.023 3.429 1.00 1.13 O ATOM 0 H GLY A 81 -1.920 3.511 -0.122 1.00 0.90 H new ATOM 0 HA2 GLY A 81 -1.759 1.663 1.940 1.00 1.01 H new ATOM 0 HA3 GLY A 81 -1.425 3.379 2.052 1.00 1.01 H new ATOM 1310 N GLU A 82 -4.114 3.951 2.307 1.00 0.99 N ATOM 1311 CA GLU A 82 -5.334 4.275 3.000 1.00 1.02 C ATOM 1312 C GLU A 82 -6.402 3.228 2.715 1.00 1.05 C ATOM 1313 O GLU A 82 -7.171 2.920 3.610 1.00 1.27 O ATOM 1314 CB GLU A 82 -5.796 5.688 2.674 1.00 0.97 C ATOM 1315 CG GLU A 82 -4.677 6.700 2.947 1.00 1.01 C ATOM 1316 CD GLU A 82 -5.086 7.706 4.010 1.00 1.42 C ATOM 1317 OE1 GLU A 82 -5.968 8.543 3.713 1.00 2.43 O ATOM 1318 OE2 GLU A 82 -4.545 7.581 5.135 1.00 2.10 O ATOM 0 H GLU A 82 -3.831 4.637 1.607 1.00 0.99 H new ATOM 0 HA GLU A 82 -5.142 4.256 4.073 1.00 1.02 H new ATOM 0 HB2 GLU A 82 -6.098 5.745 1.628 1.00 0.97 H new ATOM 0 HB3 GLU A 82 -6.672 5.937 3.273 1.00 0.97 H new ATOM 0 HG2 GLU A 82 -3.779 6.173 3.269 1.00 1.01 H new ATOM 0 HG3 GLU A 82 -4.426 7.224 2.025 1.00 1.01 H new ATOM 1325 N LEU A 83 -6.449 2.637 1.519 1.00 0.95 N ATOM 1326 CA LEU A 83 -7.374 1.542 1.280 1.00 0.94 C ATOM 1327 C LEU A 83 -7.106 0.415 2.275 1.00 1.00 C ATOM 1328 O LEU A 83 -8.007 0.007 3.003 1.00 1.15 O ATOM 1329 CB LEU A 83 -7.301 0.984 -0.146 1.00 1.07 C ATOM 1330 CG LEU A 83 -8.304 1.556 -1.153 1.00 1.10 C ATOM 1331 CD1 LEU A 83 -8.133 3.049 -1.346 1.00 2.40 C ATOM 1332 CD2 LEU A 83 -8.126 0.824 -2.478 1.00 1.94 C ATOM 0 H LEU A 83 -5.869 2.895 0.721 1.00 0.95 H new ATOM 0 HA LEU A 83 -8.377 1.948 1.413 1.00 0.94 H new ATOM 0 HB2 LEU A 83 -6.295 1.157 -0.530 1.00 1.07 H new ATOM 0 HB3 LEU A 83 -7.443 -0.096 -0.098 1.00 1.07 H new ATOM 0 HG LEU A 83 -9.312 1.406 -0.766 1.00 1.10 H new ATOM 0 HD11 LEU A 83 -8.866 3.409 -2.068 1.00 2.40 H new ATOM 0 HD12 LEU A 83 -8.282 3.558 -0.394 1.00 2.40 H new ATOM 0 HD13 LEU A 83 -7.128 3.255 -1.715 1.00 2.40 H new ATOM 0 HD21 LEU A 83 -8.832 1.218 -3.209 1.00 1.94 H new ATOM 0 HD22 LEU A 83 -7.109 0.971 -2.841 1.00 1.94 H new ATOM 0 HD23 LEU A 83 -8.309 -0.241 -2.333 1.00 1.94 H new ATOM 1344 N ALA A 84 -5.866 -0.081 2.324 1.00 0.95 N ATOM 1345 CA ALA A 84 -5.505 -1.120 3.282 1.00 1.09 C ATOM 1346 C ALA A 84 -5.914 -0.691 4.697 1.00 1.23 C ATOM 1347 O ALA A 84 -6.595 -1.422 5.416 1.00 1.55 O ATOM 1348 CB ALA A 84 -4.009 -1.429 3.177 1.00 1.10 C ATOM 0 H ALA A 84 -5.104 0.219 1.716 1.00 0.95 H new ATOM 0 HA ALA A 84 -6.044 -2.039 3.053 1.00 1.09 H new ATOM 0 HB1 ALA A 84 -3.747 -2.206 3.895 1.00 1.10 H new ATOM 0 HB2 ALA A 84 -3.779 -1.774 2.169 1.00 1.10 H new ATOM 0 HB3 ALA A 84 -3.435 -0.527 3.392 1.00 1.10 H new ATOM 1354 N LYS A 85 -5.561 0.541 5.068 1.00 1.26 N ATOM 1355 CA LYS A 85 -5.969 1.151 6.324 1.00 1.51 C ATOM 1356 C LYS A 85 -7.490 1.161 6.497 1.00 1.55 C ATOM 1357 O LYS A 85 -7.936 1.045 7.627 1.00 2.09 O ATOM 1358 CB LYS A 85 -5.404 2.570 6.397 1.00 1.66 C ATOM 1359 CG LYS A 85 -5.489 3.234 7.780 1.00 1.65 C ATOM 1360 CD LYS A 85 -5.128 4.725 7.651 1.00 2.40 C ATOM 1361 CE LYS A 85 -3.619 4.899 7.429 1.00 1.95 C ATOM 1362 NZ LYS A 85 -3.245 6.241 6.946 1.00 2.16 N ATOM 0 H LYS A 85 -4.976 1.147 4.493 1.00 1.26 H new ATOM 0 HA LYS A 85 -5.569 0.551 7.142 1.00 1.51 H new ATOM 0 HB2 LYS A 85 -4.359 2.545 6.086 1.00 1.66 H new ATOM 0 HB3 LYS A 85 -5.935 3.194 5.678 1.00 1.66 H new ATOM 0 HG2 LYS A 85 -6.494 3.125 8.187 1.00 1.65 H new ATOM 0 HG3 LYS A 85 -4.809 2.742 8.475 1.00 1.65 H new ATOM 0 HD2 LYS A 85 -5.677 5.167 6.819 1.00 2.40 H new ATOM 0 HD3 LYS A 85 -5.432 5.258 8.552 1.00 2.40 H new ATOM 0 HE2 LYS A 85 -3.097 4.700 8.365 1.00 1.95 H new ATOM 0 HE3 LYS A 85 -3.278 4.155 6.710 1.00 1.95 H new ATOM 0 HZ1 LYS A 85 -2.230 6.258 6.721 1.00 2.16 H new ATOM 0 HZ2 LYS A 85 -3.793 6.468 6.092 1.00 2.16 H new ATOM 0 HZ3 LYS A 85 -3.448 6.945 7.684 1.00 2.16 H new ATOM 1376 N GLU A 86 -8.263 1.325 5.423 1.00 1.13 N ATOM 1377 CA GLU A 86 -9.720 1.365 5.378 1.00 1.06 C ATOM 1378 C GLU A 86 -10.347 -0.023 5.442 1.00 1.09 C ATOM 1379 O GLU A 86 -11.554 -0.103 5.672 1.00 1.13 O ATOM 1380 CB GLU A 86 -10.244 2.204 4.205 1.00 1.03 C ATOM 1381 CG GLU A 86 -10.004 3.689 4.509 1.00 1.11 C ATOM 1382 CD GLU A 86 -11.110 4.259 5.399 1.00 1.43 C ATOM 1383 OE1 GLU A 86 -12.287 4.227 4.970 1.00 2.13 O ATOM 1384 OE2 GLU A 86 -10.795 4.716 6.518 1.00 1.99 O ATOM 0 H GLU A 86 -7.855 1.442 4.496 1.00 1.13 H new ATOM 0 HA GLU A 86 -10.043 1.878 6.284 1.00 1.06 H new ATOM 0 HB2 GLU A 86 -9.736 1.921 3.283 1.00 1.03 H new ATOM 0 HB3 GLU A 86 -11.307 2.017 4.053 1.00 1.03 H new ATOM 0 HG2 GLU A 86 -9.039 3.810 5.001 1.00 1.11 H new ATOM 0 HG3 GLU A 86 -9.959 4.251 3.576 1.00 1.11 H new ATOM 1391 N ILE A 87 -9.571 -1.094 5.240 1.00 1.36 N ATOM 1392 CA ILE A 87 -9.930 -2.423 5.729 1.00 1.73 C ATOM 1393 C ILE A 87 -9.373 -2.741 7.137 1.00 2.26 C ATOM 1394 O ILE A 87 -9.973 -3.536 7.853 1.00 2.75 O ATOM 1395 CB ILE A 87 -9.640 -3.461 4.628 1.00 1.27 C ATOM 1396 CG1 ILE A 87 -10.948 -4.124 4.161 1.00 1.47 C ATOM 1397 CG2 ILE A 87 -8.615 -4.511 5.053 1.00 1.16 C ATOM 1398 CD1 ILE A 87 -10.793 -4.655 2.740 1.00 1.33 C ATOM 0 H ILE A 87 -8.684 -1.061 4.737 1.00 1.36 H new ATOM 0 HA ILE A 87 -11.003 -2.464 5.917 1.00 1.73 H new ATOM 0 HB ILE A 87 -9.195 -2.922 3.792 1.00 1.27 H new ATOM 0 HG12 ILE A 87 -11.211 -4.939 4.835 1.00 1.47 H new ATOM 0 HG13 ILE A 87 -11.764 -3.402 4.200 1.00 1.47 H new ATOM 0 HG21 ILE A 87 -8.453 -5.213 4.235 1.00 1.16 H new ATOM 0 HG22 ILE A 87 -7.674 -4.021 5.302 1.00 1.16 H new ATOM 0 HG23 ILE A 87 -8.986 -5.049 5.926 1.00 1.16 H new ATOM 0 HD11 ILE A 87 -11.725 -5.121 2.422 1.00 1.33 H new ATOM 0 HD12 ILE A 87 -10.552 -3.831 2.068 1.00 1.33 H new ATOM 0 HD13 ILE A 87 -9.991 -5.392 2.713 1.00 1.33 H new ATOM 1410 N ARG A 88 -8.255 -2.136 7.565 1.00 2.35 N ATOM 1411 CA ARG A 88 -7.719 -2.307 8.923 1.00 2.92 C ATOM 1412 C ARG A 88 -8.592 -1.584 9.974 1.00 2.65 C ATOM 1413 O ARG A 88 -9.136 -2.206 10.888 1.00 2.99 O ATOM 1414 CB ARG A 88 -6.240 -1.866 8.938 1.00 3.61 C ATOM 1415 CG ARG A 88 -5.365 -2.473 10.050 1.00 3.91 C ATOM 1416 CD ARG A 88 -5.262 -1.629 11.331 1.00 4.20 C ATOM 1417 NE ARG A 88 -6.516 -1.660 12.095 1.00 4.00 N ATOM 1418 CZ ARG A 88 -6.825 -2.506 13.089 1.00 4.12 C ATOM 1419 NH1 ARG A 88 -5.870 -3.044 13.845 1.00 4.82 N ATOM 1420 NH2 ARG A 88 -8.109 -2.801 13.302 1.00 4.45 N ATOM 0 H ARG A 88 -7.697 -1.515 6.979 1.00 2.35 H new ATOM 0 HA ARG A 88 -7.754 -3.359 9.206 1.00 2.92 H new ATOM 0 HB2 ARG A 88 -5.796 -2.119 7.975 1.00 3.61 H new ATOM 0 HB3 ARG A 88 -6.206 -0.780 9.029 1.00 3.61 H new ATOM 0 HG2 ARG A 88 -5.764 -3.454 10.310 1.00 3.91 H new ATOM 0 HG3 ARG A 88 -4.361 -2.631 9.656 1.00 3.91 H new ATOM 0 HD2 ARG A 88 -4.447 -2.003 11.951 1.00 4.20 H new ATOM 0 HD3 ARG A 88 -5.018 -0.599 11.071 1.00 4.20 H new ATOM 0 HE ARG A 88 -7.223 -0.969 11.845 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -4.892 -2.814 13.671 1.00 4.82 H new ATOM 0 HH12 ARG A 88 -6.117 -3.686 14.598 1.00 4.82 H new ATOM 0 HH21 ARG A 88 -8.832 -2.386 12.715 1.00 4.45 H new ATOM 0 HH22 ARG A 88 -8.367 -3.442 14.052 1.00 4.45 H new ATOM 1434 N LYS A 89 -8.655 -0.248 9.922 1.00 2.31 N ATOM 1435 CA LYS A 89 -9.862 0.515 10.260 1.00 1.52 C ATOM 1436 C LYS A 89 -10.687 0.505 8.963 1.00 2.05 C ATOM 1437 O LYS A 89 -10.297 -0.218 8.069 1.00 3.59 O ATOM 1438 CB LYS A 89 -9.462 1.933 10.735 1.00 1.69 C ATOM 1439 CG LYS A 89 -9.313 3.025 9.687 1.00 1.38 C ATOM 1440 CD LYS A 89 -9.191 4.374 10.389 1.00 1.59 C ATOM 1441 CE LYS A 89 -8.132 4.467 11.499 1.00 2.47 C ATOM 1442 NZ LYS A 89 -7.973 5.855 11.982 1.00 3.49 N ATOM 0 H LYS A 89 -7.867 0.336 9.643 1.00 2.31 H new ATOM 0 HA LYS A 89 -10.445 0.098 11.081 1.00 1.52 H new ATOM 0 HB2 LYS A 89 -10.207 2.265 11.458 1.00 1.69 H new ATOM 0 HB3 LYS A 89 -8.515 1.851 11.268 1.00 1.69 H new ATOM 0 HG2 LYS A 89 -8.432 2.839 9.073 1.00 1.38 H new ATOM 0 HG3 LYS A 89 -10.174 3.025 9.018 1.00 1.38 H new ATOM 0 HD2 LYS A 89 -8.968 5.132 9.638 1.00 1.59 H new ATOM 0 HD3 LYS A 89 -10.161 4.626 10.818 1.00 1.59 H new ATOM 0 HE2 LYS A 89 -8.417 3.822 12.330 1.00 2.47 H new ATOM 0 HE3 LYS A 89 -7.177 4.100 11.124 1.00 2.47 H new ATOM 0 HZ1 LYS A 89 -7.251 5.882 12.730 1.00 3.49 H new ATOM 0 HZ2 LYS A 89 -7.677 6.465 11.194 1.00 3.49 H new ATOM 0 HZ3 LYS A 89 -8.879 6.196 12.363 1.00 3.49 H new ATOM 1710 N LEU B 6 -13.840 -8.757 -2.178 1.00 2.24 N ATOM 1711 CA LEU B 6 -13.738 -7.367 -2.613 1.00 1.93 C ATOM 1712 C LEU B 6 -14.137 -7.174 -4.084 1.00 1.45 C ATOM 1713 O LEU B 6 -15.007 -7.863 -4.607 1.00 1.53 O ATOM 1714 CB LEU B 6 -14.467 -6.380 -1.679 1.00 1.40 C ATOM 1715 CG LEU B 6 -14.223 -6.562 -0.166 1.00 1.64 C ATOM 1716 CD1 LEU B 6 -12.802 -6.988 0.242 1.00 2.26 C ATOM 1717 CD2 LEU B 6 -14.593 -5.271 0.574 1.00 2.44 C ATOM 0 HA LEU B 6 -12.679 -7.121 -2.542 1.00 1.93 H new ATOM 0 HB2 LEU B 6 -14.171 -5.367 -1.954 1.00 1.40 H new ATOM 0 HB3 LEU B 6 -15.538 -6.461 -1.865 1.00 1.40 H new ATOM 0 HG LEU B 6 -14.864 -7.397 0.118 1.00 1.64 H new ATOM 0 HD11 LEU B 6 -12.748 -7.085 1.326 1.00 2.26 H new ATOM 0 HD12 LEU B 6 -12.563 -7.946 -0.220 1.00 2.26 H new ATOM 0 HD13 LEU B 6 -12.087 -6.236 -0.091 1.00 2.26 H new ATOM 0 HD21 LEU B 6 -14.420 -5.402 1.642 1.00 2.44 H new ATOM 0 HD22 LEU B 6 -13.978 -4.451 0.204 1.00 2.44 H new ATOM 0 HD23 LEU B 6 -15.645 -5.042 0.402 1.00 2.44 H new ATOM 1729 N THR B 7 -13.473 -6.215 -4.738 1.00 1.50 N ATOM 1730 CA THR B 7 -13.633 -5.843 -6.141 1.00 1.20 C ATOM 1731 C THR B 7 -12.290 -6.081 -6.852 1.00 1.14 C ATOM 1732 O THR B 7 -11.890 -7.232 -7.006 1.00 1.87 O ATOM 1733 CB THR B 7 -14.162 -4.394 -6.218 1.00 1.27 C ATOM 1734 OG1 THR B 7 -14.035 -3.854 -7.518 1.00 1.38 O ATOM 1735 CG2 THR B 7 -13.458 -3.454 -5.233 1.00 1.47 C ATOM 0 H THR B 7 -12.768 -5.646 -4.270 1.00 1.50 H new ATOM 0 HA THR B 7 -14.372 -6.454 -6.659 1.00 1.20 H new ATOM 0 HB THR B 7 -15.216 -4.462 -5.949 1.00 1.27 H new ATOM 0 HG1 THR B 7 -14.382 -2.937 -7.527 1.00 1.38 H new ATOM 0 HG21 THR B 7 -13.870 -2.450 -5.331 1.00 1.47 H new ATOM 0 HG22 THR B 7 -13.612 -3.812 -4.215 1.00 1.47 H new ATOM 0 HG23 THR B 7 -12.390 -3.431 -5.452 1.00 1.47 H new ATOM 1743 N GLU B 8 -11.585 -5.014 -7.246 1.00 1.14 N ATOM 1744 CA GLU B 8 -10.237 -5.025 -7.791 1.00 1.32 C ATOM 1745 C GLU B 8 -9.298 -4.503 -6.704 1.00 1.24 C ATOM 1746 O GLU B 8 -8.494 -5.233 -6.129 1.00 1.20 O ATOM 1747 CB GLU B 8 -10.225 -4.133 -9.044 1.00 1.82 C ATOM 1748 CG GLU B 8 -8.818 -3.861 -9.590 1.00 2.58 C ATOM 1749 CD GLU B 8 -8.888 -2.908 -10.780 1.00 3.25 C ATOM 1750 OE1 GLU B 8 -9.494 -3.309 -11.793 1.00 2.29 O ATOM 1751 OE2 GLU B 8 -8.397 -1.763 -10.635 1.00 5.12 O ATOM 0 H GLU B 8 -11.968 -4.071 -7.187 1.00 1.14 H new ATOM 0 HA GLU B 8 -9.910 -6.023 -8.083 1.00 1.32 H new ATOM 0 HB2 GLU B 8 -10.823 -4.607 -9.823 1.00 1.82 H new ATOM 0 HB3 GLU B 8 -10.704 -3.183 -8.808 1.00 1.82 H new ATOM 0 HG2 GLU B 8 -8.193 -3.431 -8.807 1.00 2.58 H new ATOM 0 HG3 GLU B 8 -8.350 -4.798 -9.892 1.00 2.58 H new ATOM 1758 N LEU B 9 -9.420 -3.214 -6.396 1.00 1.35 N ATOM 1759 CA LEU B 9 -8.554 -2.581 -5.427 1.00 1.42 C ATOM 1760 C LEU B 9 -8.801 -3.167 -4.047 1.00 1.27 C ATOM 1761 O LEU B 9 -7.862 -3.622 -3.402 1.00 1.22 O ATOM 1762 CB LEU B 9 -8.732 -1.065 -5.470 1.00 1.57 C ATOM 1763 CG LEU B 9 -7.999 -0.479 -6.687 1.00 1.63 C ATOM 1764 CD1 LEU B 9 -8.947 -0.304 -7.869 1.00 1.39 C ATOM 1765 CD2 LEU B 9 -7.361 0.865 -6.325 1.00 2.72 C ATOM 0 H LEU B 9 -10.115 -2.593 -6.810 1.00 1.35 H new ATOM 0 HA LEU B 9 -7.512 -2.782 -5.676 1.00 1.42 H new ATOM 0 HB2 LEU B 9 -9.792 -0.817 -5.521 1.00 1.57 H new ATOM 0 HB3 LEU B 9 -8.344 -0.620 -4.554 1.00 1.57 H new ATOM 0 HG LEU B 9 -7.217 -1.180 -6.978 1.00 1.63 H new ATOM 0 HD11 LEU B 9 -8.400 0.112 -8.715 1.00 1.39 H new ATOM 0 HD12 LEU B 9 -9.364 -1.272 -8.147 1.00 1.39 H new ATOM 0 HD13 LEU B 9 -9.755 0.373 -7.590 1.00 1.39 H new ATOM 0 HD21 LEU B 9 -6.845 1.269 -7.196 1.00 2.72 H new ATOM 0 HD22 LEU B 9 -8.136 1.562 -6.007 1.00 2.72 H new ATOM 0 HD23 LEU B 9 -6.647 0.722 -5.514 1.00 2.72 H new ATOM 1777 N GLU B 10 -10.059 -3.218 -3.610 1.00 1.25 N ATOM 1778 CA GLU B 10 -10.417 -3.885 -2.374 1.00 1.18 C ATOM 1779 C GLU B 10 -9.874 -5.319 -2.335 1.00 1.15 C ATOM 1780 O GLU B 10 -9.396 -5.750 -1.291 1.00 1.50 O ATOM 1781 CB GLU B 10 -11.921 -3.845 -2.109 1.00 1.27 C ATOM 1782 CG GLU B 10 -12.466 -2.469 -1.710 1.00 1.90 C ATOM 1783 CD GLU B 10 -12.915 -1.565 -2.844 1.00 2.59 C ATOM 1784 OE1 GLU B 10 -12.109 -1.385 -3.786 1.00 3.84 O ATOM 1785 OE2 GLU B 10 -14.064 -1.064 -2.731 1.00 3.22 O ATOM 0 H GLU B 10 -10.848 -2.800 -4.103 1.00 1.25 H new ATOM 0 HA GLU B 10 -9.942 -3.330 -1.565 1.00 1.18 H new ATOM 0 HB2 GLU B 10 -12.443 -4.181 -3.005 1.00 1.27 H new ATOM 0 HB3 GLU B 10 -12.156 -4.557 -1.317 1.00 1.27 H new ATOM 0 HG2 GLU B 10 -13.311 -2.618 -1.037 1.00 1.90 H new ATOM 0 HG3 GLU B 10 -11.695 -1.948 -1.143 1.00 1.90 H new ATOM 1792 N GLU B 11 -9.916 -6.044 -3.459 1.00 1.01 N ATOM 1793 CA GLU B 11 -9.284 -7.357 -3.560 1.00 0.91 C ATOM 1794 C GLU B 11 -7.815 -7.242 -3.141 1.00 1.03 C ATOM 1795 O GLU B 11 -7.369 -7.918 -2.212 1.00 1.11 O ATOM 1796 CB GLU B 11 -9.496 -7.951 -4.975 1.00 1.19 C ATOM 1797 CG GLU B 11 -8.283 -8.568 -5.698 1.00 2.55 C ATOM 1798 CD GLU B 11 -7.659 -9.738 -4.946 1.00 3.49 C ATOM 1799 OE1 GLU B 11 -8.430 -10.656 -4.592 1.00 3.38 O ATOM 1800 OE2 GLU B 11 -6.428 -9.688 -4.737 1.00 4.95 O ATOM 0 H GLU B 11 -10.384 -5.739 -4.312 1.00 1.01 H new ATOM 0 HA GLU B 11 -9.751 -8.065 -2.876 1.00 0.91 H new ATOM 0 HB2 GLU B 11 -10.265 -8.720 -4.901 1.00 1.19 H new ATOM 0 HB3 GLU B 11 -9.895 -7.161 -5.611 1.00 1.19 H new ATOM 0 HG2 GLU B 11 -8.592 -8.905 -6.687 1.00 2.55 H new ATOM 0 HG3 GLU B 11 -7.527 -7.797 -5.846 1.00 2.55 H new ATOM 1807 N SER B 12 -7.068 -6.355 -3.799 1.00 1.17 N ATOM 1808 CA SER B 12 -5.619 -6.378 -3.657 1.00 1.22 C ATOM 1809 C SER B 12 -5.201 -5.889 -2.270 1.00 1.23 C ATOM 1810 O SER B 12 -4.295 -6.441 -1.645 1.00 1.35 O ATOM 1811 CB SER B 12 -4.956 -5.608 -4.798 1.00 1.32 C ATOM 1812 OG SER B 12 -5.496 -4.306 -4.899 1.00 2.19 O ATOM 0 H SER B 12 -7.433 -5.632 -4.419 1.00 1.17 H new ATOM 0 HA SER B 12 -5.266 -7.407 -3.734 1.00 1.22 H new ATOM 0 HB2 SER B 12 -3.881 -5.549 -4.628 1.00 1.32 H new ATOM 0 HB3 SER B 12 -5.102 -6.142 -5.737 1.00 1.32 H new ATOM 0 HG SER B 12 -6.192 -4.187 -4.219 1.00 2.19 H new ATOM 1818 N ILE B 13 -5.870 -4.860 -1.753 1.00 1.16 N ATOM 1819 CA ILE B 13 -5.580 -4.351 -0.429 1.00 1.21 C ATOM 1820 C ILE B 13 -6.025 -5.370 0.631 1.00 1.31 C ATOM 1821 O ILE B 13 -5.318 -5.553 1.621 1.00 1.45 O ATOM 1822 CB ILE B 13 -6.126 -2.921 -0.290 1.00 1.11 C ATOM 1823 CG1 ILE B 13 -7.635 -2.862 -0.529 1.00 0.98 C ATOM 1824 CG2 ILE B 13 -5.395 -2.034 -1.308 1.00 0.99 C ATOM 1825 CD1 ILE B 13 -8.446 -2.815 0.751 1.00 1.25 C ATOM 0 H ILE B 13 -6.618 -4.366 -2.239 1.00 1.16 H new ATOM 0 HA ILE B 13 -4.509 -4.244 -0.259 1.00 1.21 H new ATOM 0 HB ILE B 13 -5.952 -2.570 0.727 1.00 1.11 H new ATOM 0 HG12 ILE B 13 -7.866 -1.982 -1.129 1.00 0.98 H new ATOM 0 HG13 ILE B 13 -7.938 -3.733 -1.110 1.00 0.98 H new ATOM 0 HG21 ILE B 13 -5.764 -1.011 -1.231 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -4.325 -2.050 -1.102 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -5.577 -2.410 -2.315 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -9.508 -2.774 0.508 1.00 1.25 H new ATOM 0 HD12 ILE B 13 -8.243 -3.707 1.343 1.00 1.25 H new ATOM 0 HD13 ILE B 13 -8.171 -1.929 1.324 1.00 1.25 H new ATOM 1837 N GLU B 14 -7.132 -6.097 0.416 1.00 1.26 N ATOM 1838 CA GLU B 14 -7.491 -7.192 1.311 1.00 1.30 C ATOM 1839 C GLU B 14 -6.383 -8.247 1.302 1.00 1.30 C ATOM 1840 O GLU B 14 -5.837 -8.540 2.361 1.00 1.33 O ATOM 1841 CB GLU B 14 -8.877 -7.776 0.988 1.00 1.35 C ATOM 1842 CG GLU B 14 -9.523 -8.486 2.189 1.00 1.40 C ATOM 1843 CD GLU B 14 -8.789 -9.737 2.655 1.00 1.67 C ATOM 1844 OE1 GLU B 14 -8.304 -10.484 1.779 1.00 2.24 O ATOM 1845 OE2 GLU B 14 -8.732 -9.926 3.890 1.00 3.10 O ATOM 0 H GLU B 14 -7.780 -5.946 -0.357 1.00 1.26 H new ATOM 0 HA GLU B 14 -7.576 -6.802 2.325 1.00 1.30 H new ATOM 0 HB2 GLU B 14 -9.534 -6.974 0.650 1.00 1.35 H new ATOM 0 HB3 GLU B 14 -8.785 -8.481 0.162 1.00 1.35 H new ATOM 0 HG2 GLU B 14 -9.582 -7.784 3.021 1.00 1.40 H new ATOM 0 HG3 GLU B 14 -10.546 -8.757 1.927 1.00 1.40 H new ATOM 1852 N THR B 15 -6.005 -8.783 0.133 1.00 1.28 N ATOM 1853 CA THR B 15 -5.098 -9.932 0.071 1.00 1.29 C ATOM 1854 C THR B 15 -3.779 -9.655 0.824 1.00 1.24 C ATOM 1855 O THR B 15 -3.254 -10.502 1.556 1.00 1.30 O ATOM 1856 CB THR B 15 -4.940 -10.466 -1.369 1.00 1.31 C ATOM 1857 OG1 THR B 15 -4.583 -11.831 -1.320 1.00 1.58 O ATOM 1858 CG2 THR B 15 -3.888 -9.752 -2.216 1.00 1.19 C ATOM 0 H THR B 15 -6.313 -8.440 -0.777 1.00 1.28 H new ATOM 0 HA THR B 15 -5.552 -10.762 0.612 1.00 1.29 H new ATOM 0 HB THR B 15 -5.905 -10.289 -1.844 1.00 1.31 H new ATOM 0 HG1 THR B 15 -4.483 -12.176 -2.232 1.00 1.58 H new ATOM 0 HG21 THR B 15 -3.854 -10.201 -3.209 1.00 1.19 H new ATOM 0 HG22 THR B 15 -4.146 -8.697 -2.303 1.00 1.19 H new ATOM 0 HG23 THR B 15 -2.912 -9.848 -1.741 1.00 1.19 H new ATOM 1866 N VAL B 16 -3.258 -8.428 0.718 1.00 1.15 N ATOM 1867 CA VAL B 16 -2.082 -8.033 1.491 1.00 1.13 C ATOM 1868 C VAL B 16 -2.427 -7.833 2.972 1.00 1.15 C ATOM 1869 O VAL B 16 -1.633 -8.217 3.830 1.00 1.15 O ATOM 1870 CB VAL B 16 -1.328 -6.837 0.882 1.00 1.11 C ATOM 1871 CG1 VAL B 16 -0.951 -7.123 -0.576 1.00 1.12 C ATOM 1872 CG2 VAL B 16 -2.112 -5.527 0.959 1.00 1.17 C ATOM 0 H VAL B 16 -3.630 -7.699 0.109 1.00 1.15 H new ATOM 0 HA VAL B 16 -1.378 -8.864 1.437 1.00 1.13 H new ATOM 0 HB VAL B 16 -0.428 -6.710 1.483 1.00 1.11 H new ATOM 0 HG11 VAL B 16 -0.419 -6.266 -0.989 1.00 1.12 H new ATOM 0 HG12 VAL B 16 -0.310 -8.004 -0.620 1.00 1.12 H new ATOM 0 HG13 VAL B 16 -1.855 -7.303 -1.157 1.00 1.12 H new ATOM 0 HG21 VAL B 16 -1.525 -4.725 0.513 1.00 1.17 H new ATOM 0 HG22 VAL B 16 -3.052 -5.633 0.417 1.00 1.17 H new ATOM 0 HG23 VAL B 16 -2.319 -5.288 2.002 1.00 1.17 H new ATOM 1882 N VAL B 17 -3.587 -7.255 3.305 1.00 1.18 N ATOM 1883 CA VAL B 17 -4.000 -7.107 4.697 1.00 1.21 C ATOM 1884 C VAL B 17 -4.138 -8.467 5.386 1.00 1.28 C ATOM 1885 O VAL B 17 -3.680 -8.612 6.515 1.00 1.33 O ATOM 1886 CB VAL B 17 -5.265 -6.243 4.836 1.00 1.34 C ATOM 1887 CG1 VAL B 17 -5.845 -6.352 6.256 1.00 1.39 C ATOM 1888 CG2 VAL B 17 -4.901 -4.776 4.563 1.00 1.36 C ATOM 0 H VAL B 17 -4.253 -6.884 2.627 1.00 1.18 H new ATOM 0 HA VAL B 17 -3.208 -6.568 5.217 1.00 1.21 H new ATOM 0 HB VAL B 17 -6.009 -6.595 4.121 1.00 1.34 H new ATOM 0 HG11 VAL B 17 -6.739 -5.733 6.332 1.00 1.39 H new ATOM 0 HG12 VAL B 17 -6.103 -7.390 6.465 1.00 1.39 H new ATOM 0 HG13 VAL B 17 -5.104 -6.010 6.979 1.00 1.39 H new ATOM 0 HG21 VAL B 17 -5.792 -4.156 4.659 1.00 1.36 H new ATOM 0 HG22 VAL B 17 -4.151 -4.447 5.282 1.00 1.36 H new ATOM 0 HG23 VAL B 17 -4.501 -4.682 3.553 1.00 1.36 H new ATOM 1898 N THR B 18 -4.747 -9.470 4.753 1.00 1.32 N ATOM 1899 CA THR B 18 -4.852 -10.794 5.361 1.00 1.43 C ATOM 1900 C THR B 18 -3.454 -11.390 5.582 1.00 1.43 C ATOM 1901 O THR B 18 -3.158 -11.851 6.687 1.00 1.52 O ATOM 1902 CB THR B 18 -5.828 -11.704 4.596 1.00 1.44 C ATOM 1903 OG1 THR B 18 -5.932 -12.961 5.231 1.00 1.50 O ATOM 1904 CG2 THR B 18 -5.451 -11.912 3.134 1.00 1.48 C ATOM 0 H THR B 18 -5.171 -9.392 3.829 1.00 1.32 H new ATOM 0 HA THR B 18 -5.299 -10.700 6.351 1.00 1.43 H new ATOM 0 HB THR B 18 -6.788 -11.187 4.611 1.00 1.44 H new ATOM 0 HG1 THR B 18 -6.558 -13.528 4.733 1.00 1.50 H new ATOM 0 HG21 THR B 18 -6.184 -12.564 2.658 1.00 1.48 H new ATOM 0 HG22 THR B 18 -5.435 -10.950 2.622 1.00 1.48 H new ATOM 0 HG23 THR B 18 -4.464 -12.371 3.074 1.00 1.48 H new ATOM 1912 N THR B 19 -2.565 -11.312 4.580 1.00 1.37 N ATOM 1913 CA THR B 19 -1.176 -11.738 4.717 1.00 1.37 C ATOM 1914 C THR B 19 -0.541 -11.052 5.936 1.00 1.36 C ATOM 1915 O THR B 19 -0.050 -11.708 6.858 1.00 1.47 O ATOM 1916 CB THR B 19 -0.427 -11.440 3.405 1.00 1.35 C ATOM 1917 OG1 THR B 19 -1.095 -12.073 2.334 1.00 1.38 O ATOM 1918 CG2 THR B 19 1.012 -11.960 3.411 1.00 1.34 C ATOM 0 H THR B 19 -2.795 -10.951 3.654 1.00 1.37 H new ATOM 0 HA THR B 19 -1.116 -12.812 4.893 1.00 1.37 H new ATOM 0 HB THR B 19 -0.406 -10.356 3.297 1.00 1.35 H new ATOM 0 HG1 THR B 19 -1.830 -11.503 2.024 1.00 1.38 H new ATOM 0 HG21 THR B 19 1.489 -11.721 2.461 1.00 1.34 H new ATOM 0 HG22 THR B 19 1.565 -11.490 4.224 1.00 1.34 H new ATOM 0 HG23 THR B 19 1.008 -13.041 3.553 1.00 1.34 H new ATOM 1926 N PHE B 20 -0.604 -9.720 5.956 1.00 1.24 N ATOM 1927 CA PHE B 20 -0.151 -8.889 7.058 1.00 1.24 C ATOM 1928 C PHE B 20 -0.724 -9.379 8.389 1.00 1.36 C ATOM 1929 O PHE B 20 0.017 -9.549 9.347 1.00 1.50 O ATOM 1930 CB PHE B 20 -0.545 -7.431 6.790 1.00 1.21 C ATOM 1931 CG PHE B 20 -0.362 -6.513 7.978 1.00 2.00 C ATOM 1932 CD1 PHE B 20 0.910 -5.989 8.253 1.00 2.72 C ATOM 1933 CD2 PHE B 20 -1.419 -6.302 8.884 1.00 3.29 C ATOM 1934 CE1 PHE B 20 1.105 -5.183 9.383 1.00 3.69 C ATOM 1935 CE2 PHE B 20 -1.192 -5.586 10.072 1.00 4.20 C ATOM 1936 CZ PHE B 20 0.069 -5.016 10.311 1.00 4.14 C ATOM 0 H PHE B 20 -0.984 -9.179 5.179 1.00 1.24 H new ATOM 0 HA PHE B 20 0.935 -8.956 7.131 1.00 1.24 H new ATOM 0 HB2 PHE B 20 0.048 -7.053 5.958 1.00 1.21 H new ATOM 0 HB3 PHE B 20 -1.589 -7.400 6.478 1.00 1.21 H new ATOM 0 HD1 PHE B 20 1.738 -6.206 7.595 1.00 2.72 H new ATOM 0 HD2 PHE B 20 -2.403 -6.690 8.666 1.00 3.29 H new ATOM 0 HE1 PHE B 20 2.054 -4.691 9.538 1.00 3.69 H new ATOM 0 HE2 PHE B 20 -1.984 -5.475 10.798 1.00 4.20 H new ATOM 0 HZ PHE B 20 0.241 -4.447 11.213 1.00 4.14 H new ATOM 1946 N PHE B 21 -2.035 -9.603 8.460 1.00 1.36 N ATOM 1947 CA PHE B 21 -2.728 -9.977 9.681 1.00 1.49 C ATOM 1948 C PHE B 21 -2.214 -11.315 10.203 1.00 1.59 C ATOM 1949 O PHE B 21 -1.785 -11.410 11.356 1.00 1.64 O ATOM 1950 CB PHE B 21 -4.240 -10.015 9.430 1.00 1.56 C ATOM 1951 CG PHE B 21 -5.048 -10.534 10.602 1.00 1.50 C ATOM 1952 CD1 PHE B 21 -5.111 -9.797 11.799 1.00 2.50 C ATOM 1953 CD2 PHE B 21 -5.723 -11.766 10.504 1.00 2.10 C ATOM 1954 CE1 PHE B 21 -5.888 -10.262 12.874 1.00 2.69 C ATOM 1955 CE2 PHE B 21 -6.502 -12.229 11.578 1.00 2.53 C ATOM 1956 CZ PHE B 21 -6.600 -11.470 12.756 1.00 2.29 C ATOM 0 H PHE B 21 -2.653 -9.527 7.652 1.00 1.36 H new ATOM 0 HA PHE B 21 -2.528 -9.229 10.449 1.00 1.49 H new ATOM 0 HB2 PHE B 21 -4.582 -9.010 9.183 1.00 1.56 H new ATOM 0 HB3 PHE B 21 -4.438 -10.642 8.560 1.00 1.56 H new ATOM 0 HD1 PHE B 21 -4.561 -8.872 11.892 1.00 2.50 H new ATOM 0 HD2 PHE B 21 -5.642 -12.355 9.603 1.00 2.10 H new ATOM 0 HE1 PHE B 21 -5.939 -9.692 13.790 1.00 2.69 H new ATOM 0 HE2 PHE B 21 -7.026 -13.170 11.498 1.00 2.53 H new ATOM 0 HZ PHE B 21 -7.221 -11.813 13.570 1.00 2.29 H new ATOM 1966 N THR B 22 -2.231 -12.359 9.366 1.00 1.68 N ATOM 1967 CA THR B 22 -1.749 -13.655 9.824 1.00 1.86 C ATOM 1968 C THR B 22 -0.269 -13.581 10.203 1.00 1.72 C ATOM 1969 O THR B 22 0.164 -14.317 11.083 1.00 1.68 O ATOM 1970 CB THR B 22 -2.074 -14.804 8.858 1.00 2.09 C ATOM 1971 OG1 THR B 22 -1.734 -16.025 9.494 1.00 3.44 O ATOM 1972 CG2 THR B 22 -1.327 -14.720 7.525 1.00 1.97 C ATOM 0 H THR B 22 -2.562 -12.331 8.402 1.00 1.68 H new ATOM 0 HA THR B 22 -2.303 -13.902 10.730 1.00 1.86 H new ATOM 0 HB THR B 22 -3.137 -14.738 8.625 1.00 2.09 H new ATOM 0 HG1 THR B 22 -1.935 -16.773 8.894 1.00 3.44 H new ATOM 0 HG21 THR B 22 -1.608 -15.565 6.896 1.00 1.97 H new ATOM 0 HG22 THR B 22 -1.587 -13.790 7.020 1.00 1.97 H new ATOM 0 HG23 THR B 22 -0.253 -14.745 7.708 1.00 1.97 H new ATOM 1980 N PHE B 23 0.504 -12.694 9.573 1.00 1.69 N ATOM 1981 CA PHE B 23 1.842 -12.387 10.055 1.00 1.72 C ATOM 1982 C PHE B 23 1.794 -11.754 11.443 1.00 1.67 C ATOM 1983 O PHE B 23 2.430 -12.225 12.376 1.00 1.70 O ATOM 1984 CB PHE B 23 2.570 -11.478 9.054 1.00 1.87 C ATOM 1985 CG PHE B 23 3.518 -12.246 8.168 1.00 1.71 C ATOM 1986 CD1 PHE B 23 3.023 -13.152 7.212 1.00 2.20 C ATOM 1987 CD2 PHE B 23 4.888 -12.224 8.471 1.00 2.83 C ATOM 1988 CE1 PHE B 23 3.900 -14.046 6.573 1.00 2.46 C ATOM 1989 CE2 PHE B 23 5.759 -13.110 7.829 1.00 3.16 C ATOM 1990 CZ PHE B 23 5.270 -14.024 6.886 1.00 2.47 C ATOM 0 H PHE B 23 0.225 -12.182 8.736 1.00 1.69 H new ATOM 0 HA PHE B 23 2.401 -13.319 10.141 1.00 1.72 H new ATOM 0 HB2 PHE B 23 1.836 -10.961 8.435 1.00 1.87 H new ATOM 0 HB3 PHE B 23 3.124 -10.713 9.598 1.00 1.87 H new ATOM 0 HD1 PHE B 23 1.971 -13.161 6.969 1.00 2.20 H new ATOM 0 HD2 PHE B 23 5.269 -11.524 9.199 1.00 2.83 H new ATOM 0 HE1 PHE B 23 3.522 -14.747 5.844 1.00 2.46 H new ATOM 0 HE2 PHE B 23 6.814 -13.090 8.061 1.00 3.16 H new ATOM 0 HZ PHE B 23 5.946 -14.712 6.400 1.00 2.47 H new ATOM 2000 N ALA B 24 1.024 -10.682 11.583 1.00 1.64 N ATOM 2001 CA ALA B 24 0.935 -9.837 12.755 1.00 1.64 C ATOM 2002 C ALA B 24 0.559 -10.659 13.972 1.00 1.68 C ATOM 2003 O ALA B 24 0.956 -10.302 15.083 1.00 1.67 O ATOM 2004 CB ALA B 24 -0.077 -8.709 12.532 1.00 1.66 C ATOM 0 H ALA B 24 0.410 -10.365 10.833 1.00 1.64 H new ATOM 0 HA ALA B 24 1.912 -9.388 12.931 1.00 1.64 H new ATOM 0 HB1 ALA B 24 -0.129 -8.085 13.424 1.00 1.66 H new ATOM 0 HB2 ALA B 24 0.236 -8.102 11.683 1.00 1.66 H new ATOM 0 HB3 ALA B 24 -1.059 -9.136 12.330 1.00 1.66 H new ATOM 2010 N ARG B 25 -0.200 -11.738 13.762 1.00 1.72 N ATOM 2011 CA ARG B 25 -0.591 -12.673 14.805 1.00 1.78 C ATOM 2012 C ARG B 25 0.608 -13.239 15.569 1.00 1.83 C ATOM 2013 O ARG B 25 0.430 -13.688 16.698 1.00 1.93 O ATOM 2014 CB ARG B 25 -1.496 -13.781 14.224 1.00 1.72 C ATOM 2015 CG ARG B 25 -0.775 -15.117 13.977 1.00 1.95 C ATOM 2016 CD ARG B 25 -1.628 -16.083 13.145 1.00 2.18 C ATOM 2017 NE ARG B 25 -1.010 -17.418 13.108 1.00 2.36 N ATOM 2018 CZ ARG B 25 -1.252 -18.390 12.213 1.00 3.12 C ATOM 2019 NH1 ARG B 25 -1.940 -18.150 11.090 1.00 3.97 N ATOM 2020 NH2 ARG B 25 -0.799 -19.627 12.453 1.00 3.76 N ATOM 0 H ARG B 25 -0.564 -11.985 12.842 1.00 1.72 H new ATOM 0 HA ARG B 25 -1.171 -12.120 15.544 1.00 1.78 H new ATOM 0 HB2 ARG B 25 -2.328 -13.951 14.907 1.00 1.72 H new ATOM 0 HB3 ARG B 25 -1.922 -13.431 13.284 1.00 1.72 H new ATOM 0 HG2 ARG B 25 0.168 -14.931 13.463 1.00 1.95 H new ATOM 0 HG3 ARG B 25 -0.531 -15.580 14.933 1.00 1.95 H new ATOM 0 HD2 ARG B 25 -2.629 -16.151 13.570 1.00 2.18 H new ATOM 0 HD3 ARG B 25 -1.738 -15.699 12.131 1.00 2.18 H new ATOM 0 HE ARG B 25 -0.328 -17.627 13.837 1.00 2.36 H new ATOM 0 HH11 ARG B 25 -2.293 -17.212 10.899 1.00 3.97 H new ATOM 0 HH12 ARG B 25 -2.111 -18.905 10.425 1.00 3.97 H new ATOM 0 HH21 ARG B 25 -0.277 -19.822 13.307 1.00 3.76 H new ATOM 0 HH22 ARG B 25 -0.976 -20.374 11.782 1.00 3.76 H new ATOM 2034 N GLN B 26 1.787 -13.305 14.938 1.00 1.78 N ATOM 2035 CA GLN B 26 2.819 -14.235 15.361 1.00 1.81 C ATOM 2036 C GLN B 26 3.344 -13.984 16.784 1.00 1.92 C ATOM 2037 O GLN B 26 3.160 -14.852 17.634 1.00 2.14 O ATOM 2038 CB GLN B 26 3.958 -14.130 14.326 1.00 1.60 C ATOM 2039 CG GLN B 26 5.359 -14.513 14.795 1.00 2.58 C ATOM 2040 CD GLN B 26 6.334 -14.842 13.665 1.00 3.25 C ATOM 2041 OE1 GLN B 26 6.113 -14.498 12.509 1.00 3.83 O ATOM 2042 NE2 GLN B 26 7.425 -15.520 14.009 1.00 4.35 N ATOM 0 H GLN B 26 2.041 -12.725 14.138 1.00 1.78 H new ATOM 0 HA GLN B 26 2.394 -15.238 15.403 1.00 1.81 H new ATOM 0 HB2 GLN B 26 3.701 -14.761 13.475 1.00 1.60 H new ATOM 0 HB3 GLN B 26 3.992 -13.103 13.963 1.00 1.60 H new ATOM 0 HG2 GLN B 26 5.769 -13.693 15.385 1.00 2.58 H new ATOM 0 HG3 GLN B 26 5.284 -15.376 15.457 1.00 2.58 H new ATOM 0 HE21 GLN B 26 7.573 -15.788 14.982 1.00 4.35 H new ATOM 0 HE22 GLN B 26 8.114 -15.772 13.300 1.00 4.35 H new ATOM 2051 N GLU B 27 4.065 -12.881 17.031 1.00 1.81 N ATOM 2052 CA GLU B 27 4.866 -12.814 18.251 1.00 1.83 C ATOM 2053 C GLU B 27 4.145 -12.227 19.468 1.00 2.04 C ATOM 2054 O GLU B 27 3.703 -12.951 20.356 1.00 2.02 O ATOM 2055 CB GLU B 27 6.245 -12.187 17.945 1.00 1.68 C ATOM 2056 CG GLU B 27 6.392 -11.026 16.938 1.00 3.08 C ATOM 2057 CD GLU B 27 5.826 -9.669 17.338 1.00 4.31 C ATOM 2058 OE1 GLU B 27 4.584 -9.500 17.245 1.00 5.04 O ATOM 2059 OE2 GLU B 27 6.620 -8.805 17.747 1.00 5.07 O ATOM 0 H GLU B 27 4.108 -12.059 16.429 1.00 1.81 H new ATOM 0 HA GLU B 27 5.041 -13.838 18.580 1.00 1.83 H new ATOM 0 HB2 GLU B 27 6.653 -11.839 18.894 1.00 1.68 H new ATOM 0 HB3 GLU B 27 6.891 -12.993 17.597 1.00 1.68 H new ATOM 0 HG2 GLU B 27 7.453 -10.898 16.726 1.00 3.08 H new ATOM 0 HG3 GLU B 27 5.915 -11.328 16.006 1.00 3.08 H new ATOM 2066 N GLY B 28 3.969 -10.910 19.477 1.00 2.40 N ATOM 2067 CA GLY B 28 2.954 -10.155 20.172 1.00 2.66 C ATOM 2068 C GLY B 28 1.755 -9.949 19.264 1.00 2.13 C ATOM 2069 O GLY B 28 1.881 -10.068 18.040 1.00 1.82 O ATOM 0 H GLY B 28 4.592 -10.298 18.949 1.00 2.40 H new ATOM 0 HA2 GLY B 28 2.651 -10.682 21.076 1.00 2.66 H new ATOM 0 HA3 GLY B 28 3.355 -9.191 20.485 1.00 2.66 H new ATOM 2073 N ARG B 29 0.675 -9.445 19.866 1.00 2.36 N ATOM 2074 CA ARG B 29 -0.253 -8.482 19.281 1.00 2.20 C ATOM 2075 C ARG B 29 -0.550 -8.698 17.796 1.00 1.95 C ATOM 2076 O ARG B 29 0.251 -8.325 16.926 1.00 1.74 O ATOM 2077 CB ARG B 29 0.233 -7.049 19.561 1.00 2.26 C ATOM 2078 CG ARG B 29 -0.915 -6.099 19.933 1.00 2.64 C ATOM 2079 CD ARG B 29 -1.338 -6.282 21.400 1.00 2.35 C ATOM 2080 NE ARG B 29 -2.502 -5.446 21.737 1.00 2.88 N ATOM 2081 CZ ARG B 29 -3.084 -5.399 22.947 1.00 3.28 C ATOM 2082 NH1 ARG B 29 -2.580 -6.117 23.957 1.00 3.84 N ATOM 2083 NH2 ARG B 29 -4.170 -4.641 23.144 1.00 4.04 N ATOM 0 H ARG B 29 0.415 -9.710 20.816 1.00 2.36 H new ATOM 0 HA ARG B 29 -1.212 -8.647 19.772 1.00 2.20 H new ATOM 0 HB2 ARG B 29 0.961 -7.068 20.372 1.00 2.26 H new ATOM 0 HB3 ARG B 29 0.747 -6.665 18.680 1.00 2.26 H new ATOM 0 HG2 ARG B 29 -0.604 -5.067 19.768 1.00 2.64 H new ATOM 0 HG3 ARG B 29 -1.768 -6.283 19.280 1.00 2.64 H new ATOM 0 HD2 ARG B 29 -1.577 -7.330 21.582 1.00 2.35 H new ATOM 0 HD3 ARG B 29 -0.504 -6.027 22.054 1.00 2.35 H new ATOM 0 HE ARG B 29 -2.895 -4.861 20.999 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -1.755 -6.699 23.808 1.00 3.84 H new ATOM 0 HH12 ARG B 29 -3.020 -6.083 24.876 1.00 3.84 H new ATOM 0 HH21 ARG B 29 -4.558 -4.097 22.374 1.00 4.04 H new ATOM 0 HH22 ARG B 29 -4.609 -4.608 24.064 1.00 4.04 H new ATOM 2097 N LYS B 30 -1.722 -9.280 17.527 1.00 2.07 N ATOM 2098 CA LYS B 30 -2.258 -9.533 16.197 1.00 1.98 C ATOM 2099 C LYS B 30 -2.699 -8.247 15.485 1.00 1.89 C ATOM 2100 O LYS B 30 -3.812 -8.163 14.972 1.00 2.39 O ATOM 2101 CB LYS B 30 -3.380 -10.584 16.309 1.00 2.29 C ATOM 2102 CG LYS B 30 -4.624 -10.081 17.068 1.00 2.63 C ATOM 2103 CD LYS B 30 -5.412 -11.222 17.726 1.00 3.16 C ATOM 2104 CE LYS B 30 -5.954 -12.216 16.687 1.00 2.59 C ATOM 2105 NZ LYS B 30 -6.774 -13.276 17.313 1.00 3.36 N ATOM 0 H LYS B 30 -2.347 -9.600 18.267 1.00 2.07 H new ATOM 0 HA LYS B 30 -1.469 -9.935 15.561 1.00 1.98 H new ATOM 0 HB2 LYS B 30 -3.677 -10.894 15.307 1.00 2.29 H new ATOM 0 HB3 LYS B 30 -2.989 -11.468 16.814 1.00 2.29 H new ATOM 0 HG2 LYS B 30 -4.315 -9.368 17.833 1.00 2.63 H new ATOM 0 HG3 LYS B 30 -5.275 -9.545 16.377 1.00 2.63 H new ATOM 0 HD2 LYS B 30 -4.769 -11.748 18.431 1.00 3.16 H new ATOM 0 HD3 LYS B 30 -6.241 -10.807 18.299 1.00 3.16 H new ATOM 0 HE2 LYS B 30 -6.553 -11.681 15.951 1.00 2.59 H new ATOM 0 HE3 LYS B 30 -5.121 -12.671 16.150 1.00 2.59 H new ATOM 0 HZ1 LYS B 30 -7.121 -13.926 16.579 1.00 3.36 H new ATOM 0 HZ2 LYS B 30 -6.195 -13.804 17.997 1.00 3.36 H new ATOM 0 HZ3 LYS B 30 -7.583 -12.845 17.804 1.00 3.36 H new ATOM 2119 N ASP B 31 -1.818 -7.247 15.472 1.00 1.67 N ATOM 2120 CA ASP B 31 -2.086 -5.906 14.987 1.00 1.66 C ATOM 2121 C ASP B 31 -0.764 -5.291 14.532 1.00 1.46 C ATOM 2122 O ASP B 31 -0.639 -4.864 13.389 1.00 1.43 O ATOM 2123 CB ASP B 31 -2.754 -5.076 16.097 1.00 1.90 C ATOM 2124 CG ASP B 31 -3.766 -4.101 15.520 1.00 2.73 C ATOM 2125 OD1 ASP B 31 -3.404 -3.316 14.612 1.00 3.72 O ATOM 2126 OD2 ASP B 31 -4.943 -4.175 15.944 1.00 3.47 O ATOM 0 H ASP B 31 -0.863 -7.360 15.813 1.00 1.67 H new ATOM 0 HA ASP B 31 -2.773 -5.926 14.141 1.00 1.66 H new ATOM 0 HB2 ASP B 31 -3.249 -5.741 16.805 1.00 1.90 H new ATOM 0 HB3 ASP B 31 -1.993 -4.528 16.653 1.00 1.90 H new ATOM 2131 N SER B 32 0.240 -5.294 15.418 1.00 1.47 N ATOM 2132 CA SER B 32 1.545 -4.703 15.176 1.00 1.40 C ATOM 2133 C SER B 32 2.641 -5.743 14.897 1.00 1.46 C ATOM 2134 O SER B 32 2.534 -6.927 15.264 1.00 1.50 O ATOM 2135 CB SER B 32 1.903 -3.821 16.370 1.00 1.82 C ATOM 2136 OG SER B 32 1.610 -4.464 17.595 1.00 2.29 O ATOM 0 H SER B 32 0.157 -5.719 16.341 1.00 1.47 H new ATOM 0 HA SER B 32 1.486 -4.104 14.268 1.00 1.40 H new ATOM 0 HB2 SER B 32 2.963 -3.570 16.334 1.00 1.82 H new ATOM 0 HB3 SER B 32 1.351 -2.883 16.309 1.00 1.82 H new ATOM 0 HG SER B 32 1.639 -3.809 18.323 1.00 2.29 H new ATOM 2142 N LEU B 33 3.694 -5.259 14.225 1.00 1.55 N ATOM 2143 CA LEU B 33 4.830 -6.001 13.683 1.00 1.45 C ATOM 2144 C LEU B 33 6.089 -5.650 14.474 1.00 1.38 C ATOM 2145 O LEU B 33 6.212 -4.538 14.982 1.00 1.59 O ATOM 2146 CB LEU B 33 4.991 -5.624 12.199 1.00 1.55 C ATOM 2147 CG LEU B 33 4.148 -6.434 11.201 1.00 1.52 C ATOM 2148 CD1 LEU B 33 4.811 -7.754 10.816 1.00 1.87 C ATOM 2149 CD2 LEU B 33 2.722 -6.692 11.687 1.00 2.34 C ATOM 0 H LEU B 33 3.776 -4.260 14.034 1.00 1.55 H new ATOM 0 HA LEU B 33 4.665 -7.075 13.765 1.00 1.45 H new ATOM 0 HB2 LEU B 33 4.740 -4.570 12.084 1.00 1.55 H new ATOM 0 HB3 LEU B 33 6.041 -5.733 11.929 1.00 1.55 H new ATOM 0 HG LEU B 33 4.086 -5.805 10.313 1.00 1.52 H new ATOM 0 HD11 LEU B 33 4.175 -8.288 10.110 1.00 1.87 H new ATOM 0 HD12 LEU B 33 5.778 -7.554 10.355 1.00 1.87 H new ATOM 0 HD13 LEU B 33 4.953 -8.364 11.708 1.00 1.87 H new ATOM 0 HD21 LEU B 33 2.181 -7.268 10.937 1.00 2.34 H new ATOM 0 HD22 LEU B 33 2.752 -7.251 12.622 1.00 2.34 H new ATOM 0 HD23 LEU B 33 2.215 -5.741 11.849 1.00 2.34 H new ATOM 2161 N SER B 34 7.042 -6.581 14.552 1.00 1.37 N ATOM 2162 CA SER B 34 8.379 -6.347 15.080 1.00 1.48 C ATOM 2163 C SER B 34 9.346 -7.286 14.369 1.00 1.01 C ATOM 2164 O SER B 34 8.931 -8.085 13.524 1.00 1.12 O ATOM 2165 CB SER B 34 8.453 -6.531 16.599 1.00 2.21 C ATOM 2166 OG SER B 34 9.665 -5.959 17.058 1.00 3.53 O ATOM 0 H SER B 34 6.897 -7.541 14.241 1.00 1.37 H new ATOM 0 HA SER B 34 8.651 -5.308 14.892 1.00 1.48 H new ATOM 0 HB2 SER B 34 7.601 -6.052 17.081 1.00 2.21 H new ATOM 0 HB3 SER B 34 8.412 -7.590 16.856 1.00 2.21 H new ATOM 0 HG SER B 34 9.491 -5.060 17.407 1.00 3.53 H new ATOM 2172 N VAL B 35 10.639 -7.201 14.687 1.00 1.08 N ATOM 2173 CA VAL B 35 11.676 -7.924 13.954 1.00 0.90 C ATOM 2174 C VAL B 35 11.817 -9.360 14.469 1.00 1.05 C ATOM 2175 O VAL B 35 12.914 -9.874 14.662 1.00 2.24 O ATOM 2176 CB VAL B 35 12.983 -7.112 14.017 1.00 1.51 C ATOM 2177 CG1 VAL B 35 13.633 -7.024 15.405 1.00 1.44 C ATOM 2178 CG2 VAL B 35 14.009 -7.523 12.952 1.00 2.84 C ATOM 0 H VAL B 35 10.994 -6.632 15.456 1.00 1.08 H new ATOM 0 HA VAL B 35 11.400 -8.025 12.904 1.00 0.90 H new ATOM 0 HB VAL B 35 12.650 -6.101 13.785 1.00 1.51 H new ATOM 0 HG11 VAL B 35 14.546 -6.432 15.342 1.00 1.44 H new ATOM 0 HG12 VAL B 35 12.941 -6.551 16.102 1.00 1.44 H new ATOM 0 HG13 VAL B 35 13.874 -8.027 15.758 1.00 1.44 H new ATOM 0 HG21 VAL B 35 14.905 -6.911 13.054 1.00 2.84 H new ATOM 0 HG22 VAL B 35 14.270 -8.573 13.084 1.00 2.84 H new ATOM 0 HG23 VAL B 35 13.582 -7.378 11.960 1.00 2.84 H new ATOM 2188 N ASN B 36 10.686 -10.065 14.503 1.00 0.99 N ATOM 2189 CA ASN B 36 10.604 -11.507 14.353 1.00 1.23 C ATOM 2190 C ASN B 36 9.180 -11.791 13.888 1.00 1.21 C ATOM 2191 O ASN B 36 8.416 -12.519 14.517 1.00 1.86 O ATOM 2192 CB ASN B 36 10.984 -12.218 15.653 1.00 1.89 C ATOM 2193 CG ASN B 36 11.289 -13.694 15.383 1.00 2.29 C ATOM 2194 OD1 ASN B 36 12.416 -14.140 15.574 1.00 2.91 O ATOM 2195 ND2 ASN B 36 10.311 -14.451 14.894 1.00 2.36 N ATOM 0 H ASN B 36 9.775 -9.628 14.641 1.00 0.99 H new ATOM 0 HA ASN B 36 11.314 -11.893 13.621 1.00 1.23 H new ATOM 0 HB2 ASN B 36 11.854 -11.736 16.098 1.00 1.89 H new ATOM 0 HB3 ASN B 36 10.170 -12.134 16.373 1.00 1.89 H new ATOM 0 HD21 ASN B 36 10.488 -15.430 14.667 1.00 2.36 H new ATOM 0 HD22 ASN B 36 9.384 -14.053 14.746 1.00 2.36 H new ATOM 2202 N GLU B 37 8.846 -11.141 12.778 1.00 0.83 N ATOM 2203 CA GLU B 37 7.537 -11.080 12.169 1.00 0.95 C ATOM 2204 C GLU B 37 7.774 -10.342 10.856 1.00 0.88 C ATOM 2205 O GLU B 37 7.621 -10.893 9.769 1.00 0.93 O ATOM 2206 CB GLU B 37 6.561 -10.327 13.097 1.00 1.09 C ATOM 2207 CG GLU B 37 5.320 -11.177 13.375 1.00 1.06 C ATOM 2208 CD GLU B 37 4.283 -10.460 14.237 1.00 1.16 C ATOM 2209 OE1 GLU B 37 4.079 -9.234 14.149 1.00 1.83 O ATOM 2210 OE2 GLU B 37 3.634 -11.059 15.116 1.00 1.46 O ATOM 0 H GLU B 37 9.537 -10.608 12.249 1.00 0.83 H new ATOM 0 HA GLU B 37 7.086 -12.058 11.999 1.00 0.95 H new ATOM 0 HB2 GLU B 37 7.059 -10.082 14.035 1.00 1.09 H new ATOM 0 HB3 GLU B 37 6.267 -9.384 12.636 1.00 1.09 H new ATOM 0 HG2 GLU B 37 4.862 -11.461 12.428 1.00 1.06 H new ATOM 0 HG3 GLU B 37 5.622 -12.099 13.872 1.00 1.06 H new ATOM 2217 N PHE B 38 8.272 -9.105 10.976 1.00 0.80 N ATOM 2218 CA PHE B 38 8.697 -8.320 9.832 1.00 0.74 C ATOM 2219 C PHE B 38 9.772 -9.086 9.057 1.00 0.68 C ATOM 2220 O PHE B 38 9.625 -9.351 7.866 1.00 0.67 O ATOM 2221 CB PHE B 38 9.188 -6.941 10.293 1.00 0.75 C ATOM 2222 CG PHE B 38 9.207 -5.929 9.169 1.00 0.71 C ATOM 2223 CD1 PHE B 38 10.118 -6.074 8.105 1.00 1.85 C ATOM 2224 CD2 PHE B 38 8.190 -4.959 9.090 1.00 1.83 C ATOM 2225 CE1 PHE B 38 9.942 -5.335 6.925 1.00 2.08 C ATOM 2226 CE2 PHE B 38 8.056 -4.176 7.934 1.00 1.88 C ATOM 2227 CZ PHE B 38 8.895 -4.406 6.833 1.00 1.29 C ATOM 0 H PHE B 38 8.388 -8.629 11.871 1.00 0.80 H new ATOM 0 HA PHE B 38 7.855 -8.155 9.160 1.00 0.74 H new ATOM 0 HB2 PHE B 38 8.544 -6.578 11.094 1.00 0.75 H new ATOM 0 HB3 PHE B 38 10.191 -7.036 10.709 1.00 0.75 H new ATOM 0 HD1 PHE B 38 10.952 -6.754 8.197 1.00 1.85 H new ATOM 0 HD2 PHE B 38 7.513 -4.818 9.919 1.00 1.83 H new ATOM 0 HE1 PHE B 38 10.611 -5.481 6.090 1.00 2.08 H new ATOM 0 HE2 PHE B 38 7.309 -3.398 7.891 1.00 1.88 H new ATOM 0 HZ PHE B 38 8.734 -3.866 5.912 1.00 1.29 H new ATOM 2237 N LYS B 39 10.862 -9.457 9.738 1.00 0.70 N ATOM 2238 CA LYS B 39 11.975 -10.133 9.088 1.00 0.72 C ATOM 2239 C LYS B 39 11.513 -11.421 8.396 1.00 0.75 C ATOM 2240 O LYS B 39 11.970 -11.740 7.298 1.00 0.76 O ATOM 2241 CB LYS B 39 13.131 -10.354 10.069 1.00 0.83 C ATOM 2242 CG LYS B 39 14.398 -10.829 9.337 1.00 0.92 C ATOM 2243 CD LYS B 39 15.620 -10.745 10.279 1.00 1.25 C ATOM 2244 CE LYS B 39 16.372 -9.429 10.028 1.00 1.92 C ATOM 2245 NZ LYS B 39 17.425 -9.104 11.015 1.00 3.00 N ATOM 0 H LYS B 39 10.991 -9.298 10.737 1.00 0.70 H new ATOM 0 HA LYS B 39 12.362 -9.488 8.299 1.00 0.72 H new ATOM 0 HB2 LYS B 39 13.342 -9.427 10.602 1.00 0.83 H new ATOM 0 HB3 LYS B 39 12.841 -11.092 10.816 1.00 0.83 H new ATOM 0 HG2 LYS B 39 14.265 -11.854 8.992 1.00 0.92 H new ATOM 0 HG3 LYS B 39 14.568 -10.215 8.453 1.00 0.92 H new ATOM 0 HD2 LYS B 39 15.296 -10.798 11.318 1.00 1.25 H new ATOM 0 HD3 LYS B 39 16.283 -11.593 10.108 1.00 1.25 H new ATOM 0 HE2 LYS B 39 16.826 -9.472 9.038 1.00 1.92 H new ATOM 0 HE3 LYS B 39 15.649 -8.614 10.011 1.00 1.92 H new ATOM 0 HZ1 LYS B 39 18.256 -8.719 10.522 1.00 3.00 H new ATOM 0 HZ2 LYS B 39 17.064 -8.399 11.688 1.00 3.00 H new ATOM 0 HZ3 LYS B 39 17.697 -9.966 11.529 1.00 3.00 H new ATOM 2259 N GLU B 40 10.581 -12.157 9.002 1.00 0.79 N ATOM 2260 CA GLU B 40 10.067 -13.363 8.377 1.00 0.80 C ATOM 2261 C GLU B 40 9.354 -13.056 7.054 1.00 0.78 C ATOM 2262 O GLU B 40 9.382 -13.880 6.144 1.00 0.83 O ATOM 2263 CB GLU B 40 9.202 -14.167 9.352 1.00 0.87 C ATOM 2264 CG GLU B 40 9.980 -14.429 10.657 1.00 1.10 C ATOM 2265 CD GLU B 40 9.784 -15.841 11.194 1.00 1.75 C ATOM 2266 OE1 GLU B 40 9.927 -16.780 10.384 1.00 2.42 O ATOM 2267 OE2 GLU B 40 9.527 -15.956 12.413 1.00 2.93 O ATOM 0 H GLU B 40 10.175 -11.939 9.912 1.00 0.79 H new ATOM 0 HA GLU B 40 10.915 -13.998 8.120 1.00 0.80 H new ATOM 0 HB2 GLU B 40 8.283 -13.622 9.570 1.00 0.87 H new ATOM 0 HB3 GLU B 40 8.911 -15.114 8.897 1.00 0.87 H new ATOM 0 HG2 GLU B 40 11.042 -14.257 10.481 1.00 1.10 H new ATOM 0 HG3 GLU B 40 9.662 -13.711 11.413 1.00 1.10 H new ATOM 2274 N LEU B 41 8.748 -11.870 6.914 1.00 0.76 N ATOM 2275 CA LEU B 41 8.033 -11.486 5.702 1.00 0.78 C ATOM 2276 C LEU B 41 9.037 -11.463 4.549 1.00 0.71 C ATOM 2277 O LEU B 41 8.841 -12.098 3.511 1.00 0.78 O ATOM 2278 CB LEU B 41 7.374 -10.104 5.920 1.00 0.83 C ATOM 2279 CG LEU B 41 6.214 -9.734 4.978 1.00 0.98 C ATOM 2280 CD1 LEU B 41 6.523 -9.980 3.504 1.00 1.90 C ATOM 2281 CD2 LEU B 41 4.920 -10.442 5.382 1.00 2.66 C ATOM 0 H LEU B 41 8.743 -11.154 7.640 1.00 0.76 H new ATOM 0 HA LEU B 41 7.241 -12.195 5.463 1.00 0.78 H new ATOM 0 HB2 LEU B 41 7.007 -10.060 6.945 1.00 0.83 H new ATOM 0 HB3 LEU B 41 8.146 -9.340 5.825 1.00 0.83 H new ATOM 0 HG LEU B 41 6.077 -8.658 5.090 1.00 0.98 H new ATOM 0 HD11 LEU B 41 5.661 -9.697 2.899 1.00 1.90 H new ATOM 0 HD12 LEU B 41 7.386 -9.383 3.208 1.00 1.90 H new ATOM 0 HD13 LEU B 41 6.743 -11.036 3.350 1.00 1.90 H new ATOM 0 HD21 LEU B 41 4.121 -10.159 4.697 1.00 2.66 H new ATOM 0 HD22 LEU B 41 5.068 -11.521 5.341 1.00 2.66 H new ATOM 0 HD23 LEU B 41 4.648 -10.151 6.397 1.00 2.66 H new ATOM 2293 N VAL B 42 10.134 -10.730 4.766 1.00 0.64 N ATOM 2294 CA VAL B 42 11.153 -10.491 3.757 1.00 0.65 C ATOM 2295 C VAL B 42 11.888 -11.783 3.446 1.00 0.75 C ATOM 2296 O VAL B 42 12.136 -12.097 2.286 1.00 0.82 O ATOM 2297 CB VAL B 42 12.109 -9.358 4.156 1.00 0.63 C ATOM 2298 CG1 VAL B 42 11.468 -7.990 3.886 1.00 0.59 C ATOM 2299 CG2 VAL B 42 12.624 -9.410 5.583 1.00 0.62 C ATOM 0 H VAL B 42 10.335 -10.284 5.661 1.00 0.64 H new ATOM 0 HA VAL B 42 10.659 -10.154 2.846 1.00 0.65 H new ATOM 0 HB VAL B 42 12.986 -9.507 3.526 1.00 0.63 H new ATOM 0 HG11 VAL B 42 12.161 -7.200 4.175 1.00 0.59 H new ATOM 0 HG12 VAL B 42 11.237 -7.899 2.825 1.00 0.59 H new ATOM 0 HG13 VAL B 42 10.550 -7.898 4.466 1.00 0.59 H new ATOM 0 HG21 VAL B 42 13.290 -8.566 5.760 1.00 0.62 H new ATOM 0 HG22 VAL B 42 11.783 -9.361 6.275 1.00 0.62 H new ATOM 0 HG23 VAL B 42 13.169 -10.341 5.739 1.00 0.62 H new ATOM 2309 N THR B 43 12.205 -12.540 4.495 1.00 0.79 N ATOM 2310 CA THR B 43 12.776 -13.864 4.358 1.00 0.95 C ATOM 2311 C THR B 43 11.886 -14.730 3.458 1.00 0.95 C ATOM 2312 O THR B 43 12.374 -15.334 2.505 1.00 1.04 O ATOM 2313 CB THR B 43 12.931 -14.451 5.765 1.00 1.07 C ATOM 2314 OG1 THR B 43 13.795 -13.628 6.526 1.00 1.12 O ATOM 2315 CG2 THR B 43 13.503 -15.871 5.761 1.00 1.28 C ATOM 0 H THR B 43 12.070 -12.245 5.462 1.00 0.79 H new ATOM 0 HA THR B 43 13.755 -13.826 3.881 1.00 0.95 H new ATOM 0 HB THR B 43 11.932 -14.493 6.198 1.00 1.07 H new ATOM 0 HG1 THR B 43 13.278 -12.908 6.943 1.00 1.12 H new ATOM 0 HG21 THR B 43 13.589 -16.232 6.786 1.00 1.28 H new ATOM 0 HG22 THR B 43 12.840 -16.529 5.199 1.00 1.28 H new ATOM 0 HG23 THR B 43 14.488 -15.865 5.295 1.00 1.28 H new ATOM 2323 N GLN B 44 10.596 -14.837 3.790 1.00 0.90 N ATOM 2324 CA GLN B 44 9.725 -15.831 3.192 1.00 0.97 C ATOM 2325 C GLN B 44 9.163 -15.419 1.817 1.00 0.96 C ATOM 2326 O GLN B 44 9.391 -16.125 0.838 1.00 1.00 O ATOM 2327 CB GLN B 44 8.637 -16.187 4.217 1.00 1.02 C ATOM 2328 CG GLN B 44 7.794 -17.376 3.739 1.00 1.15 C ATOM 2329 CD GLN B 44 6.776 -17.800 4.790 1.00 1.24 C ATOM 2330 OE1 GLN B 44 6.827 -18.909 5.308 1.00 1.96 O ATOM 2331 NE2 GLN B 44 5.840 -16.917 5.113 1.00 1.82 N ATOM 0 H GLN B 44 10.137 -14.238 4.476 1.00 0.90 H new ATOM 0 HA GLN B 44 10.309 -16.722 2.960 1.00 0.97 H new ATOM 0 HB2 GLN B 44 9.100 -16.427 5.174 1.00 1.02 H new ATOM 0 HB3 GLN B 44 7.992 -15.324 4.382 1.00 1.02 H new ATOM 0 HG2 GLN B 44 7.277 -17.109 2.817 1.00 1.15 H new ATOM 0 HG3 GLN B 44 8.448 -18.216 3.505 1.00 1.15 H new ATOM 0 HE21 GLN B 44 5.825 -16.002 4.663 1.00 1.82 H new ATOM 0 HE22 GLN B 44 5.135 -17.153 5.811 1.00 1.82 H new ATOM 2340 N GLN B 45 8.369 -14.342 1.730 1.00 0.94 N ATOM 2341 CA GLN B 45 7.531 -14.113 0.544 1.00 0.98 C ATOM 2342 C GLN B 45 8.223 -13.444 -0.645 1.00 1.00 C ATOM 2343 O GLN B 45 7.829 -13.704 -1.783 1.00 1.18 O ATOM 2344 CB GLN B 45 6.243 -13.350 0.879 1.00 1.11 C ATOM 2345 CG GLN B 45 5.191 -14.229 1.571 1.00 1.52 C ATOM 2346 CD GLN B 45 5.054 -13.895 3.046 1.00 2.54 C ATOM 2347 OE1 GLN B 45 5.818 -14.387 3.867 1.00 3.51 O ATOM 2348 NE2 GLN B 45 4.072 -13.077 3.407 1.00 3.69 N ATOM 0 H GLN B 45 8.289 -13.627 2.453 1.00 0.94 H new ATOM 0 HA GLN B 45 7.293 -15.127 0.221 1.00 0.98 H new ATOM 0 HB2 GLN B 45 6.484 -12.505 1.524 1.00 1.11 H new ATOM 0 HB3 GLN B 45 5.820 -12.940 -0.038 1.00 1.11 H new ATOM 0 HG2 GLN B 45 4.228 -14.098 1.078 1.00 1.52 H new ATOM 0 HG3 GLN B 45 5.465 -15.278 1.460 1.00 1.52 H new ATOM 0 HE21 GLN B 45 3.451 -12.682 2.700 1.00 3.69 H new ATOM 0 HE22 GLN B 45 3.939 -12.843 4.391 1.00 3.69 H new ATOM 2357 N LEU B 46 9.142 -12.506 -0.388 1.00 0.88 N ATOM 2358 CA LEU B 46 9.582 -11.492 -1.356 1.00 0.84 C ATOM 2359 C LEU B 46 9.899 -12.053 -2.747 1.00 1.31 C ATOM 2360 O LEU B 46 9.551 -11.417 -3.733 1.00 1.66 O ATOM 2361 CB LEU B 46 10.716 -10.644 -0.768 1.00 1.09 C ATOM 2362 CG LEU B 46 10.216 -9.403 -0.003 1.00 1.17 C ATOM 2363 CD1 LEU B 46 9.916 -8.243 -0.952 1.00 1.77 C ATOM 2364 CD2 LEU B 46 8.975 -9.634 0.872 1.00 1.79 C ATOM 0 H LEU B 46 9.610 -12.428 0.515 1.00 0.88 H new ATOM 0 HA LEU B 46 8.733 -10.832 -1.533 1.00 0.84 H new ATOM 0 HB2 LEU B 46 11.311 -11.262 -0.095 1.00 1.09 H new ATOM 0 HB3 LEU B 46 11.376 -10.324 -1.574 1.00 1.09 H new ATOM 0 HG LEU B 46 11.044 -9.163 0.664 1.00 1.17 H new ATOM 0 HD11 LEU B 46 9.566 -7.385 -0.378 1.00 1.77 H new ATOM 0 HD12 LEU B 46 10.822 -7.972 -1.493 1.00 1.77 H new ATOM 0 HD13 LEU B 46 9.146 -8.544 -1.662 1.00 1.77 H new ATOM 0 HD21 LEU B 46 8.701 -8.703 1.368 1.00 1.79 H new ATOM 0 HD22 LEU B 46 8.147 -9.969 0.248 1.00 1.79 H new ATOM 0 HD23 LEU B 46 9.195 -10.394 1.622 1.00 1.79 H new ATOM 2376 N PRO B 47 10.515 -13.236 -2.874 1.00 1.65 N ATOM 2377 CA PRO B 47 11.852 -13.469 -2.365 1.00 1.75 C ATOM 2378 C PRO B 47 12.860 -12.575 -3.107 1.00 1.55 C ATOM 2379 O PRO B 47 13.966 -12.364 -2.616 1.00 1.90 O ATOM 2380 CB PRO B 47 12.119 -14.939 -2.692 1.00 2.11 C ATOM 2381 CG PRO B 47 11.433 -15.112 -4.049 1.00 2.15 C ATOM 2382 CD PRO B 47 10.223 -14.177 -3.948 1.00 2.18 C ATOM 0 HA PRO B 47 11.946 -13.247 -1.302 1.00 1.75 H new ATOM 0 HB2 PRO B 47 13.186 -15.154 -2.747 1.00 2.11 H new ATOM 0 HB3 PRO B 47 11.698 -15.604 -1.938 1.00 2.11 H new ATOM 0 HG2 PRO B 47 12.091 -14.833 -4.872 1.00 2.15 H new ATOM 0 HG3 PRO B 47 11.131 -16.145 -4.219 1.00 2.15 H new ATOM 0 HD2 PRO B 47 10.059 -13.652 -4.889 1.00 2.18 H new ATOM 0 HD3 PRO B 47 9.315 -14.740 -3.734 1.00 2.18 H new ATOM 2390 N HIS B 48 12.506 -12.089 -4.307 1.00 1.38 N ATOM 2391 CA HIS B 48 13.418 -11.416 -5.212 1.00 1.31 C ATOM 2392 C HIS B 48 13.380 -9.902 -5.002 1.00 1.13 C ATOM 2393 O HIS B 48 14.446 -9.305 -4.833 1.00 1.78 O ATOM 2394 CB HIS B 48 13.088 -11.797 -6.664 1.00 1.36 C ATOM 2395 CG HIS B 48 13.756 -10.889 -7.668 1.00 1.58 C ATOM 2396 ND1 HIS B 48 13.093 -10.016 -8.499 1.00 2.81 N ATOM 2397 CD2 HIS B 48 15.073 -10.511 -7.637 1.00 1.70 C ATOM 2398 CE1 HIS B 48 13.996 -9.132 -8.959 1.00 2.87 C ATOM 2399 NE2 HIS B 48 15.210 -9.357 -8.420 1.00 2.10 N ATOM 0 H HIS B 48 11.556 -12.160 -4.672 1.00 1.38 H new ATOM 0 HA HIS B 48 14.436 -11.742 -4.997 1.00 1.31 H new ATOM 0 HB2 HIS B 48 13.400 -12.825 -6.846 1.00 1.36 H new ATOM 0 HB3 HIS B 48 12.008 -11.761 -6.809 1.00 1.36 H new ATOM 0 HD1 HIS B 48 12.099 -10.036 -8.725 1.00 2.81 H new ATOM 0 HD2 HIS B 48 15.866 -11.014 -7.103 1.00 1.70 H new ATOM 0 HE1 HIS B 48 13.777 -8.346 -9.667 1.00 2.87 H new ATOM 2407 N LEU B 49 12.193 -9.288 -5.112 1.00 0.94 N ATOM 2408 CA LEU B 49 11.973 -7.843 -5.196 1.00 0.72 C ATOM 2409 C LEU B 49 13.029 -7.023 -4.445 1.00 0.86 C ATOM 2410 O LEU B 49 13.910 -6.422 -5.068 1.00 1.20 O ATOM 2411 CB LEU B 49 10.555 -7.536 -4.694 1.00 0.59 C ATOM 2412 CG LEU B 49 9.965 -6.240 -5.256 1.00 0.58 C ATOM 2413 CD1 LEU B 49 9.471 -6.429 -6.694 1.00 0.68 C ATOM 2414 CD2 LEU B 49 8.779 -5.885 -4.367 1.00 0.87 C ATOM 0 H LEU B 49 11.320 -9.814 -5.146 1.00 0.94 H new ATOM 0 HA LEU B 49 12.074 -7.542 -6.239 1.00 0.72 H new ATOM 0 HB2 LEU B 49 9.899 -8.366 -4.957 1.00 0.59 H new ATOM 0 HB3 LEU B 49 10.571 -7.475 -3.606 1.00 0.59 H new ATOM 0 HG LEU B 49 10.724 -5.458 -5.269 1.00 0.58 H new ATOM 0 HD11 LEU B 49 9.058 -5.490 -7.063 1.00 0.68 H new ATOM 0 HD12 LEU B 49 10.304 -6.733 -7.328 1.00 0.68 H new ATOM 0 HD13 LEU B 49 8.699 -7.198 -6.715 1.00 0.68 H new ATOM 0 HD21 LEU B 49 8.319 -4.964 -4.725 1.00 0.87 H new ATOM 0 HD22 LEU B 49 8.047 -6.692 -4.398 1.00 0.87 H new ATOM 0 HD23 LEU B 49 9.122 -5.745 -3.342 1.00 0.87 H new ATOM 2426 N LEU B 50 12.972 -7.056 -3.112 1.00 0.80 N ATOM 2427 CA LEU B 50 13.990 -6.530 -2.220 1.00 0.99 C ATOM 2428 C LEU B 50 14.963 -7.673 -1.953 1.00 1.18 C ATOM 2429 O LEU B 50 14.540 -8.776 -1.615 1.00 1.89 O ATOM 2430 CB LEU B 50 13.353 -6.044 -0.910 1.00 1.15 C ATOM 2431 CG LEU B 50 12.503 -4.771 -1.068 1.00 0.82 C ATOM 2432 CD1 LEU B 50 11.685 -4.556 0.211 1.00 1.11 C ATOM 2433 CD2 LEU B 50 13.381 -3.536 -1.313 1.00 1.23 C ATOM 0 H LEU B 50 12.183 -7.467 -2.612 1.00 0.80 H new ATOM 0 HA LEU B 50 14.502 -5.677 -2.664 1.00 0.99 H new ATOM 0 HB2 LEU B 50 12.728 -6.839 -0.504 1.00 1.15 H new ATOM 0 HB3 LEU B 50 14.142 -5.855 -0.182 1.00 1.15 H new ATOM 0 HG LEU B 50 11.848 -4.901 -1.929 1.00 0.82 H new ATOM 0 HD11 LEU B 50 11.079 -3.656 0.108 1.00 1.11 H new ATOM 0 HD12 LEU B 50 11.034 -5.415 0.375 1.00 1.11 H new ATOM 0 HD13 LEU B 50 12.360 -4.445 1.060 1.00 1.11 H new ATOM 0 HD21 LEU B 50 12.748 -2.655 -1.420 1.00 1.23 H new ATOM 0 HD22 LEU B 50 14.057 -3.397 -0.469 1.00 1.23 H new ATOM 0 HD23 LEU B 50 13.962 -3.678 -2.224 1.00 1.23 H new ATOM 2445 N LYS B 51 16.255 -7.405 -2.145 1.00 1.17 N ATOM 2446 CA LYS B 51 17.331 -8.391 -2.072 1.00 1.50 C ATOM 2447 C LYS B 51 18.339 -8.056 -0.961 1.00 1.74 C ATOM 2448 O LYS B 51 19.243 -8.835 -0.673 1.00 3.64 O ATOM 2449 CB LYS B 51 17.999 -8.528 -3.452 1.00 1.96 C ATOM 2450 CG LYS B 51 18.558 -7.215 -4.030 1.00 2.19 C ATOM 2451 CD LYS B 51 17.593 -6.410 -4.922 1.00 3.14 C ATOM 2452 CE LYS B 51 17.254 -7.103 -6.256 1.00 4.93 C ATOM 2453 NZ LYS B 51 15.904 -7.703 -6.275 1.00 6.76 N ATOM 0 H LYS B 51 16.591 -6.467 -2.362 1.00 1.17 H new ATOM 0 HA LYS B 51 16.906 -9.358 -1.803 1.00 1.50 H new ATOM 0 HB2 LYS B 51 18.811 -9.251 -3.377 1.00 1.96 H new ATOM 0 HB3 LYS B 51 17.272 -8.937 -4.153 1.00 1.96 H new ATOM 0 HG2 LYS B 51 18.872 -6.580 -3.202 1.00 2.19 H new ATOM 0 HG3 LYS B 51 19.451 -7.447 -4.610 1.00 2.19 H new ATOM 0 HD2 LYS B 51 16.669 -6.230 -4.372 1.00 3.14 H new ATOM 0 HD3 LYS B 51 18.034 -5.436 -5.131 1.00 3.14 H new ATOM 0 HE2 LYS B 51 17.333 -6.377 -7.065 1.00 4.93 H new ATOM 0 HE3 LYS B 51 17.993 -7.880 -6.452 1.00 4.93 H new ATOM 0 HZ1 LYS B 51 15.730 -8.138 -7.204 1.00 6.76 H new ATOM 0 HZ2 LYS B 51 15.837 -8.430 -5.534 1.00 6.76 H new ATOM 0 HZ3 LYS B 51 15.193 -6.964 -6.101 1.00 6.76 H new ATOM 2467 N ASP B 52 18.165 -6.903 -0.318 1.00 1.23 N ATOM 2468 CA ASP B 52 18.991 -6.325 0.731 1.00 1.38 C ATOM 2469 C ASP B 52 18.539 -6.799 2.117 1.00 1.13 C ATOM 2470 O ASP B 52 18.947 -6.241 3.136 1.00 1.63 O ATOM 2471 CB ASP B 52 18.892 -4.796 0.607 1.00 1.96 C ATOM 2472 CG ASP B 52 17.450 -4.298 0.673 1.00 3.64 C ATOM 2473 OD1 ASP B 52 16.640 -4.788 -0.149 1.00 4.72 O ATOM 2474 OD2 ASP B 52 17.185 -3.428 1.529 1.00 4.75 O ATOM 0 H ASP B 52 17.373 -6.300 -0.540 1.00 1.23 H new ATOM 0 HA ASP B 52 20.026 -6.647 0.617 1.00 1.38 H new ATOM 0 HB2 ASP B 52 19.471 -4.331 1.405 1.00 1.96 H new ATOM 0 HB3 ASP B 52 19.339 -4.481 -0.336 1.00 1.96 H new ATOM 2479 N VAL B 53 17.747 -7.875 2.164 1.00 0.98 N ATOM 2480 CA VAL B 53 17.260 -8.508 3.382 1.00 0.99 C ATOM 2481 C VAL B 53 18.411 -8.831 4.344 1.00 1.40 C ATOM 2482 O VAL B 53 18.228 -8.837 5.561 1.00 1.72 O ATOM 2483 CB VAL B 53 16.429 -9.756 3.028 1.00 0.96 C ATOM 2484 CG1 VAL B 53 15.312 -9.411 2.032 1.00 1.41 C ATOM 2485 CG2 VAL B 53 17.276 -10.897 2.445 1.00 1.41 C ATOM 0 H VAL B 53 17.418 -8.343 1.319 1.00 0.98 H new ATOM 0 HA VAL B 53 16.609 -7.808 3.906 1.00 0.99 H new ATOM 0 HB VAL B 53 16.000 -10.100 3.969 1.00 0.96 H new ATOM 0 HG11 VAL B 53 14.741 -10.310 1.800 1.00 1.41 H new ATOM 0 HG12 VAL B 53 14.650 -8.665 2.472 1.00 1.41 H new ATOM 0 HG13 VAL B 53 15.751 -9.013 1.117 1.00 1.41 H new ATOM 0 HG21 VAL B 53 16.633 -11.747 2.216 1.00 1.41 H new ATOM 0 HG22 VAL B 53 17.766 -10.557 1.533 1.00 1.41 H new ATOM 0 HG23 VAL B 53 18.031 -11.198 3.172 1.00 1.41 H new ATOM 2495 N GLY B 54 19.608 -9.058 3.792 1.00 1.90 N ATOM 2496 CA GLY B 54 20.842 -9.229 4.548 1.00 2.65 C ATOM 2497 C GLY B 54 21.026 -8.158 5.627 1.00 2.57 C ATOM 2498 O GLY B 54 21.553 -8.460 6.695 1.00 3.39 O ATOM 0 H GLY B 54 19.743 -9.129 2.783 1.00 1.90 H new ATOM 0 HA2 GLY B 54 20.844 -10.214 5.015 1.00 2.65 H new ATOM 0 HA3 GLY B 54 21.690 -9.199 3.864 1.00 2.65 H new ATOM 2502 N SER B 55 20.590 -6.921 5.360 1.00 1.81 N ATOM 2503 CA SER B 55 20.547 -5.852 6.350 1.00 1.72 C ATOM 2504 C SER B 55 19.124 -5.292 6.426 1.00 1.42 C ATOM 2505 O SER B 55 18.918 -4.080 6.443 1.00 1.48 O ATOM 2506 CB SER B 55 21.598 -4.785 6.010 1.00 1.95 C ATOM 2507 OG SER B 55 21.911 -4.006 7.150 1.00 2.75 O ATOM 0 H SER B 55 20.255 -6.637 4.439 1.00 1.81 H new ATOM 0 HA SER B 55 20.798 -6.233 7.340 1.00 1.72 H new ATOM 0 HB2 SER B 55 22.501 -5.265 5.633 1.00 1.95 H new ATOM 0 HB3 SER B 55 21.224 -4.140 5.215 1.00 1.95 H new ATOM 0 HG SER B 55 22.583 -3.334 6.912 1.00 2.75 H new ATOM 2513 N LEU B 56 18.129 -6.184 6.522 1.00 1.33 N ATOM 2514 CA LEU B 56 16.741 -5.834 6.764 1.00 1.17 C ATOM 2515 C LEU B 56 16.647 -4.808 7.885 1.00 1.16 C ATOM 2516 O LEU B 56 15.845 -3.886 7.820 1.00 1.16 O ATOM 2517 CB LEU B 56 15.999 -7.122 7.133 1.00 1.08 C ATOM 2518 CG LEU B 56 14.531 -6.965 7.550 1.00 0.91 C ATOM 2519 CD1 LEU B 56 14.336 -6.364 8.944 1.00 1.08 C ATOM 2520 CD2 LEU B 56 13.755 -6.172 6.494 1.00 0.91 C ATOM 0 H LEU B 56 18.280 -7.189 6.430 1.00 1.33 H new ATOM 0 HA LEU B 56 16.292 -5.387 5.877 1.00 1.17 H new ATOM 0 HB2 LEU B 56 16.042 -7.798 6.279 1.00 1.08 H new ATOM 0 HB3 LEU B 56 16.537 -7.605 7.949 1.00 1.08 H new ATOM 0 HG LEU B 56 14.127 -7.975 7.613 1.00 0.91 H new ATOM 0 HD11 LEU B 56 13.271 -6.287 9.161 1.00 1.08 H new ATOM 0 HD12 LEU B 56 14.812 -7.004 9.686 1.00 1.08 H new ATOM 0 HD13 LEU B 56 14.786 -5.372 8.979 1.00 1.08 H new ATOM 0 HD21 LEU B 56 12.716 -6.070 6.806 1.00 0.91 H new ATOM 0 HD22 LEU B 56 14.199 -5.183 6.383 1.00 0.91 H new ATOM 0 HD23 LEU B 56 13.797 -6.698 5.540 1.00 0.91 H new ATOM 2532 N ASP B 57 17.464 -4.967 8.922 1.00 1.25 N ATOM 2533 CA ASP B 57 17.428 -4.151 10.121 1.00 1.30 C ATOM 2534 C ASP B 57 17.636 -2.654 9.804 1.00 1.31 C ATOM 2535 O ASP B 57 17.124 -1.792 10.521 1.00 1.37 O ATOM 2536 CB ASP B 57 18.405 -4.747 11.148 1.00 1.64 C ATOM 2537 CG ASP B 57 18.237 -6.264 11.234 1.00 3.04 C ATOM 2538 OD1 ASP B 57 18.688 -6.945 10.281 1.00 3.76 O ATOM 2539 OD2 ASP B 57 17.568 -6.783 12.154 1.00 4.27 O ATOM 0 H ASP B 57 18.186 -5.687 8.948 1.00 1.25 H new ATOM 0 HA ASP B 57 16.437 -4.175 10.575 1.00 1.30 H new ATOM 0 HB2 ASP B 57 19.430 -4.505 10.866 1.00 1.64 H new ATOM 0 HB3 ASP B 57 18.229 -4.300 12.127 1.00 1.64 H new ATOM 2544 N GLU B 58 18.313 -2.325 8.691 1.00 1.36 N ATOM 2545 CA GLU B 58 18.304 -0.969 8.147 1.00 1.40 C ATOM 2546 C GLU B 58 16.862 -0.555 7.836 1.00 1.21 C ATOM 2547 O GLU B 58 16.385 0.496 8.270 1.00 1.27 O ATOM 2548 CB GLU B 58 19.157 -0.903 6.865 1.00 1.51 C ATOM 2549 CG GLU B 58 19.131 0.497 6.235 1.00 1.65 C ATOM 2550 CD GLU B 58 19.787 0.522 4.860 1.00 1.76 C ATOM 2551 OE1 GLU B 58 19.093 0.109 3.902 1.00 2.39 O ATOM 2552 OE2 GLU B 58 20.951 0.962 4.778 1.00 2.87 O ATOM 0 H GLU B 58 18.873 -2.987 8.154 1.00 1.36 H new ATOM 0 HA GLU B 58 18.728 -0.286 8.883 1.00 1.40 H new ATOM 0 HB2 GLU B 58 20.186 -1.178 7.098 1.00 1.51 H new ATOM 0 HB3 GLU B 58 18.788 -1.633 6.145 1.00 1.51 H new ATOM 0 HG2 GLU B 58 18.099 0.836 6.149 1.00 1.65 H new ATOM 0 HG3 GLU B 58 19.643 1.199 6.893 1.00 1.65 H new ATOM 2559 N LYS B 59 16.180 -1.384 7.044 1.00 1.06 N ATOM 2560 CA LYS B 59 14.801 -1.167 6.644 1.00 0.96 C ATOM 2561 C LYS B 59 13.950 -1.036 7.901 1.00 0.93 C ATOM 2562 O LYS B 59 13.204 -0.075 8.011 1.00 0.96 O ATOM 2563 CB LYS B 59 14.286 -2.297 5.727 1.00 0.91 C ATOM 2564 CG LYS B 59 13.772 -1.795 4.367 1.00 1.13 C ATOM 2565 CD LYS B 59 14.851 -1.818 3.274 1.00 1.36 C ATOM 2566 CE LYS B 59 16.111 -1.028 3.661 1.00 2.14 C ATOM 2567 NZ LYS B 59 17.144 -1.075 2.614 1.00 3.23 N ATOM 0 H LYS B 59 16.583 -2.238 6.659 1.00 1.06 H new ATOM 0 HA LYS B 59 14.735 -0.249 6.060 1.00 0.96 H new ATOM 0 HB2 LYS B 59 15.090 -3.014 5.561 1.00 0.91 H new ATOM 0 HB3 LYS B 59 13.483 -2.830 6.236 1.00 0.91 H new ATOM 0 HG2 LYS B 59 12.930 -2.412 4.052 1.00 1.13 H new ATOM 0 HG3 LYS B 59 13.397 -0.778 4.479 1.00 1.13 H new ATOM 0 HD2 LYS B 59 15.126 -2.852 3.064 1.00 1.36 H new ATOM 0 HD3 LYS B 59 14.438 -1.405 2.354 1.00 1.36 H new ATOM 0 HE2 LYS B 59 15.841 0.010 3.855 1.00 2.14 H new ATOM 0 HE3 LYS B 59 16.519 -1.430 4.589 1.00 2.14 H new ATOM 0 HZ1 LYS B 59 18.076 -0.888 3.037 1.00 3.23 H new ATOM 0 HZ2 LYS B 59 17.148 -2.016 2.172 1.00 3.23 H new ATOM 0 HZ3 LYS B 59 16.940 -0.354 1.892 1.00 3.23 H new ATOM 2581 N MET B 60 14.091 -1.967 8.850 1.00 0.95 N ATOM 2582 CA MET B 60 13.377 -1.938 10.125 1.00 1.01 C ATOM 2583 C MET B 60 13.462 -0.530 10.709 1.00 1.09 C ATOM 2584 O MET B 60 12.444 0.134 10.886 1.00 1.11 O ATOM 2585 CB MET B 60 13.970 -2.981 11.087 1.00 1.17 C ATOM 2586 CG MET B 60 13.327 -3.012 12.477 1.00 1.23 C ATOM 2587 SD MET B 60 11.669 -3.724 12.577 1.00 2.49 S ATOM 2588 CE MET B 60 11.391 -3.474 14.347 1.00 2.15 C ATOM 0 H MET B 60 14.712 -2.770 8.751 1.00 0.95 H new ATOM 0 HA MET B 60 12.328 -2.191 9.972 1.00 1.01 H new ATOM 0 HB2 MET B 60 13.873 -3.968 10.635 1.00 1.17 H new ATOM 0 HB3 MET B 60 15.036 -2.786 11.200 1.00 1.17 H new ATOM 0 HG2 MET B 60 13.981 -3.573 13.144 1.00 1.23 H new ATOM 0 HG3 MET B 60 13.284 -1.991 12.857 1.00 1.23 H new ATOM 0 HE1 MET B 60 10.639 -4.179 14.700 1.00 2.15 H new ATOM 0 HE2 MET B 60 12.323 -3.636 14.888 1.00 2.15 H new ATOM 0 HE3 MET B 60 11.043 -2.456 14.520 1.00 2.15 H new ATOM 2598 N LYS B 61 14.687 -0.061 10.964 1.00 1.20 N ATOM 2599 CA LYS B 61 14.916 1.253 11.543 1.00 1.35 C ATOM 2600 C LYS B 61 14.292 2.360 10.682 1.00 1.37 C ATOM 2601 O LYS B 61 13.698 3.299 11.207 1.00 1.45 O ATOM 2602 CB LYS B 61 16.425 1.443 11.739 1.00 1.52 C ATOM 2603 CG LYS B 61 16.732 2.634 12.655 1.00 1.90 C ATOM 2604 CD LYS B 61 18.241 2.848 12.845 1.00 2.28 C ATOM 2605 CE LYS B 61 18.914 1.639 13.515 1.00 2.40 C ATOM 2606 NZ LYS B 61 20.320 1.913 13.874 1.00 3.67 N ATOM 0 H LYS B 61 15.541 -0.585 10.773 1.00 1.20 H new ATOM 0 HA LYS B 61 14.425 1.321 12.514 1.00 1.35 H new ATOM 0 HB2 LYS B 61 16.854 0.536 12.165 1.00 1.52 H new ATOM 0 HB3 LYS B 61 16.901 1.596 10.771 1.00 1.52 H new ATOM 0 HG2 LYS B 61 16.289 3.537 12.234 1.00 1.90 H new ATOM 0 HG3 LYS B 61 16.265 2.473 13.626 1.00 1.90 H new ATOM 0 HD2 LYS B 61 18.706 3.031 11.876 1.00 2.28 H new ATOM 0 HD3 LYS B 61 18.407 3.738 13.452 1.00 2.28 H new ATOM 0 HE2 LYS B 61 18.358 1.366 14.412 1.00 2.40 H new ATOM 0 HE3 LYS B 61 18.873 0.783 12.842 1.00 2.40 H new ATOM 0 HZ1 LYS B 61 20.734 1.071 14.323 1.00 3.67 H new ATOM 0 HZ2 LYS B 61 20.858 2.148 13.016 1.00 3.67 H new ATOM 0 HZ3 LYS B 61 20.359 2.713 14.537 1.00 3.67 H new ATOM 2620 N SER B 62 14.434 2.258 9.358 1.00 1.36 N ATOM 2621 CA SER B 62 13.889 3.233 8.421 1.00 1.47 C ATOM 2622 C SER B 62 12.356 3.259 8.429 1.00 1.41 C ATOM 2623 O SER B 62 11.758 4.308 8.204 1.00 1.60 O ATOM 2624 CB SER B 62 14.402 2.938 7.009 1.00 1.50 C ATOM 2625 OG SER B 62 15.817 2.897 6.990 1.00 2.71 O ATOM 0 H SER B 62 14.934 1.491 8.908 1.00 1.36 H new ATOM 0 HA SER B 62 14.228 4.218 8.741 1.00 1.47 H new ATOM 0 HB2 SER B 62 14.001 1.986 6.662 1.00 1.50 H new ATOM 0 HB3 SER B 62 14.046 3.704 6.320 1.00 1.50 H new ATOM 0 HG SER B 62 16.126 2.076 7.426 1.00 2.71 H new ATOM 2631 N LEU B 63 11.719 2.105 8.625 1.00 1.23 N ATOM 2632 CA LEU B 63 10.273 1.937 8.598 1.00 1.22 C ATOM 2633 C LEU B 63 9.678 2.389 9.932 1.00 1.22 C ATOM 2634 O LEU B 63 8.693 3.123 9.959 1.00 1.25 O ATOM 2635 CB LEU B 63 9.944 0.462 8.339 1.00 1.15 C ATOM 2636 CG LEU B 63 10.335 -0.035 6.939 1.00 1.37 C ATOM 2637 CD1 LEU B 63 10.407 -1.560 6.982 1.00 1.18 C ATOM 2638 CD2 LEU B 63 9.293 0.378 5.904 1.00 1.77 C ATOM 0 H LEU B 63 12.216 1.234 8.813 1.00 1.23 H new ATOM 0 HA LEU B 63 9.843 2.545 7.802 1.00 1.22 H new ATOM 0 HB2 LEU B 63 10.454 -0.148 9.084 1.00 1.15 H new ATOM 0 HB3 LEU B 63 8.874 0.310 8.480 1.00 1.15 H new ATOM 0 HG LEU B 63 11.294 0.400 6.658 1.00 1.37 H new ATOM 0 HD11 LEU B 63 10.683 -1.939 5.998 1.00 1.18 H new ATOM 0 HD12 LEU B 63 11.155 -1.868 7.713 1.00 1.18 H new ATOM 0 HD13 LEU B 63 9.435 -1.962 7.266 1.00 1.18 H new ATOM 0 HD21 LEU B 63 9.593 0.014 4.921 1.00 1.77 H new ATOM 0 HD22 LEU B 63 8.326 -0.050 6.170 1.00 1.77 H new ATOM 0 HD23 LEU B 63 9.215 1.465 5.880 1.00 1.77 H new ATOM 2650 N ASP B 64 10.304 1.977 11.036 1.00 1.24 N ATOM 2651 CA ASP B 64 9.911 2.178 12.431 1.00 1.39 C ATOM 2652 C ASP B 64 9.539 3.612 12.858 1.00 1.44 C ATOM 2653 O ASP B 64 9.198 3.815 14.021 1.00 1.63 O ATOM 2654 CB ASP B 64 10.900 1.498 13.397 1.00 1.58 C ATOM 2655 CG ASP B 64 10.291 1.236 14.770 1.00 1.81 C ATOM 2656 OD1 ASP B 64 9.047 1.236 14.872 1.00 1.78 O ATOM 2657 OD2 ASP B 64 11.053 1.059 15.740 1.00 2.32 O ATOM 0 H ASP B 64 11.174 1.449 10.970 1.00 1.24 H new ATOM 0 HA ASP B 64 8.948 1.672 12.502 1.00 1.39 H new ATOM 0 HB2 ASP B 64 11.233 0.554 12.965 1.00 1.58 H new ATOM 0 HB3 ASP B 64 11.783 2.127 13.509 1.00 1.58 H new ATOM 2662 N VAL B 65 9.753 4.629 12.016 1.00 1.38 N ATOM 2663 CA VAL B 65 10.517 5.870 12.180 1.00 1.68 C ATOM 2664 C VAL B 65 10.564 6.536 13.563 1.00 2.04 C ATOM 2665 O VAL B 65 11.551 7.212 13.848 1.00 2.38 O ATOM 2666 CB VAL B 65 9.978 6.911 11.173 1.00 1.48 C ATOM 2667 CG1 VAL B 65 10.279 6.526 9.722 1.00 1.70 C ATOM 2668 CG2 VAL B 65 8.466 7.150 11.323 1.00 1.52 C ATOM 0 H VAL B 65 9.341 4.596 11.084 1.00 1.38 H new ATOM 0 HA VAL B 65 11.545 5.550 12.012 1.00 1.68 H new ATOM 0 HB VAL B 65 10.504 7.836 11.412 1.00 1.48 H new ATOM 0 HG11 VAL B 65 9.880 7.289 9.053 1.00 1.70 H new ATOM 0 HG12 VAL B 65 11.357 6.449 9.582 1.00 1.70 H new ATOM 0 HG13 VAL B 65 9.814 5.566 9.496 1.00 1.70 H new ATOM 0 HG21 VAL B 65 8.140 7.890 10.592 1.00 1.52 H new ATOM 0 HG22 VAL B 65 7.931 6.215 11.156 1.00 1.52 H new ATOM 0 HG23 VAL B 65 8.253 7.515 12.328 1.00 1.52 H new ATOM 2678 N ASN B 66 9.557 6.386 14.427 1.00 2.09 N ATOM 2679 CA ASN B 66 9.684 6.849 15.807 1.00 2.54 C ATOM 2680 C ASN B 66 10.722 6.016 16.573 1.00 2.58 C ATOM 2681 O ASN B 66 11.255 6.486 17.572 1.00 2.93 O ATOM 2682 CB ASN B 66 8.330 6.902 16.528 1.00 2.75 C ATOM 2683 CG ASN B 66 7.806 5.529 16.933 1.00 2.74 C ATOM 2684 OD1 ASN B 66 8.017 4.538 16.240 1.00 2.64 O ATOM 2685 ND2 ASN B 66 7.106 5.434 18.054 1.00 3.48 N ATOM 0 H ASN B 66 8.661 5.955 14.200 1.00 2.09 H new ATOM 0 HA ASN B 66 10.049 7.876 15.777 1.00 2.54 H new ATOM 0 HB2 ASN B 66 8.425 7.524 17.418 1.00 2.75 H new ATOM 0 HB3 ASN B 66 7.600 7.385 15.879 1.00 2.75 H new ATOM 0 HD21 ASN B 66 6.736 4.530 18.349 1.00 3.48 H new ATOM 0 HD22 ASN B 66 6.937 6.264 18.622 1.00 3.48 H new ATOM 2692 N GLN B 67 11.024 4.805 16.086 1.00 2.28 N ATOM 2693 CA GLN B 67 12.093 3.946 16.581 1.00 2.34 C ATOM 2694 C GLN B 67 11.749 3.404 17.976 1.00 2.39 C ATOM 2695 O GLN B 67 12.413 3.727 18.960 1.00 2.54 O ATOM 2696 CB GLN B 67 13.465 4.637 16.499 1.00 2.76 C ATOM 2697 CG GLN B 67 14.584 3.584 16.535 1.00 2.97 C ATOM 2698 CD GLN B 67 15.971 4.213 16.593 1.00 3.02 C ATOM 2699 OE1 GLN B 67 16.769 4.080 15.668 1.00 3.24 O ATOM 2700 NE2 GLN B 67 16.280 4.891 17.694 1.00 3.66 N ATOM 0 H GLN B 67 10.510 4.388 15.310 1.00 2.28 H new ATOM 0 HA GLN B 67 12.176 3.077 15.928 1.00 2.34 H new ATOM 0 HB2 GLN B 67 13.533 5.222 15.582 1.00 2.76 H new ATOM 0 HB3 GLN B 67 13.582 5.333 17.330 1.00 2.76 H new ATOM 0 HG2 GLN B 67 14.444 2.938 17.402 1.00 2.97 H new ATOM 0 HG3 GLN B 67 14.512 2.950 15.651 1.00 2.97 H new ATOM 0 HE21 GLN B 67 15.596 4.984 18.445 1.00 3.66 H new ATOM 0 HE22 GLN B 67 17.201 5.318 17.788 1.00 3.66 H new ATOM 2709 N ASP B 68 10.701 2.578 18.040 1.00 2.37 N ATOM 2710 CA ASP B 68 10.136 1.984 19.254 1.00 2.39 C ATOM 2711 C ASP B 68 10.184 0.443 19.229 1.00 2.08 C ATOM 2712 O ASP B 68 9.874 -0.181 20.240 1.00 2.31 O ATOM 2713 CB ASP B 68 8.692 2.491 19.455 1.00 2.55 C ATOM 2714 CG ASP B 68 7.800 2.143 18.281 1.00 2.35 C ATOM 2715 OD1 ASP B 68 8.221 1.342 17.433 1.00 2.41 O ATOM 2716 OD2 ASP B 68 6.789 2.811 17.987 1.00 2.39 O ATOM 0 H ASP B 68 10.197 2.291 17.201 1.00 2.37 H new ATOM 0 HA ASP B 68 10.749 2.298 20.099 1.00 2.39 H new ATOM 0 HB2 ASP B 68 8.279 2.057 20.365 1.00 2.55 H new ATOM 0 HB3 ASP B 68 8.703 3.572 19.594 1.00 2.55 H new ATOM 2721 N SER B 69 10.568 -0.179 18.104 1.00 1.98 N ATOM 2722 CA SER B 69 10.559 -1.617 17.866 1.00 1.64 C ATOM 2723 C SER B 69 9.144 -2.176 17.678 1.00 1.57 C ATOM 2724 O SER B 69 8.961 -3.389 17.769 1.00 1.51 O ATOM 2725 CB SER B 69 11.366 -2.386 18.921 1.00 1.65 C ATOM 2726 OG SER B 69 12.653 -1.812 19.050 1.00 2.53 O ATOM 0 H SER B 69 10.910 0.342 17.297 1.00 1.98 H new ATOM 0 HA SER B 69 11.069 -1.775 16.916 1.00 1.64 H new ATOM 0 HB2 SER B 69 10.848 -2.359 19.880 1.00 1.65 H new ATOM 0 HB3 SER B 69 11.452 -3.434 18.634 1.00 1.65 H new ATOM 0 HG SER B 69 13.165 -2.304 19.725 1.00 2.53 H new ATOM 2732 N GLU B 70 8.167 -1.317 17.371 1.00 1.80 N ATOM 2733 CA GLU B 70 6.819 -1.684 16.975 1.00 1.84 C ATOM 2734 C GLU B 70 6.493 -1.002 15.643 1.00 1.75 C ATOM 2735 O GLU B 70 6.297 0.218 15.592 1.00 1.87 O ATOM 2736 CB GLU B 70 5.794 -1.286 18.049 1.00 2.17 C ATOM 2737 CG GLU B 70 4.468 -1.969 17.694 1.00 2.47 C ATOM 2738 CD GLU B 70 3.279 -1.555 18.551 1.00 3.11 C ATOM 2739 OE1 GLU B 70 3.028 -0.333 18.633 1.00 4.12 O ATOM 2740 OE2 GLU B 70 2.589 -2.481 19.034 1.00 3.17 O ATOM 0 H GLU B 70 8.308 -0.307 17.395 1.00 1.80 H new ATOM 0 HA GLU B 70 6.764 -2.767 16.860 1.00 1.84 H new ATOM 0 HB2 GLU B 70 6.133 -1.597 19.037 1.00 2.17 H new ATOM 0 HB3 GLU B 70 5.672 -0.203 18.080 1.00 2.17 H new ATOM 0 HG2 GLU B 70 4.236 -1.757 16.650 1.00 2.47 H new ATOM 0 HG3 GLU B 70 4.599 -3.048 17.778 1.00 2.47 H new ATOM 2747 N LEU B 71 6.394 -1.795 14.576 1.00 1.55 N ATOM 2748 CA LEU B 71 5.897 -1.366 13.280 1.00 1.39 C ATOM 2749 C LEU B 71 4.370 -1.374 13.367 1.00 1.50 C ATOM 2750 O LEU B 71 3.736 -2.432 13.377 1.00 1.55 O ATOM 2751 CB LEU B 71 6.432 -2.275 12.163 1.00 1.19 C ATOM 2752 CG LEU B 71 7.874 -2.000 11.728 1.00 1.19 C ATOM 2753 CD1 LEU B 71 7.931 -0.815 10.764 1.00 1.15 C ATOM 2754 CD2 LEU B 71 8.825 -1.739 12.899 1.00 1.55 C ATOM 0 H LEU B 71 6.666 -2.778 14.596 1.00 1.55 H new ATOM 0 HA LEU B 71 6.243 -0.363 13.031 1.00 1.39 H new ATOM 0 HB2 LEU B 71 6.362 -3.311 12.495 1.00 1.19 H new ATOM 0 HB3 LEU B 71 5.782 -2.175 11.293 1.00 1.19 H new ATOM 0 HG LEU B 71 8.211 -2.910 11.231 1.00 1.19 H new ATOM 0 HD11 LEU B 71 8.965 -0.637 10.467 1.00 1.15 H new ATOM 0 HD12 LEU B 71 7.333 -1.036 9.880 1.00 1.15 H new ATOM 0 HD13 LEU B 71 7.536 0.074 11.256 1.00 1.15 H new ATOM 0 HD21 LEU B 71 9.829 -1.552 12.518 1.00 1.55 H new ATOM 0 HD22 LEU B 71 8.482 -0.869 13.460 1.00 1.55 H new ATOM 0 HD23 LEU B 71 8.842 -2.610 13.555 1.00 1.55 H new ATOM 2766 N LYS B 72 3.808 -0.172 13.483 1.00 1.68 N ATOM 2767 CA LYS B 72 2.389 0.109 13.649 1.00 1.91 C ATOM 2768 C LYS B 72 1.729 0.306 12.279 1.00 1.94 C ATOM 2769 O LYS B 72 2.426 0.498 11.282 1.00 1.87 O ATOM 2770 CB LYS B 72 2.312 1.361 14.536 1.00 2.22 C ATOM 2771 CG LYS B 72 0.906 1.888 14.837 1.00 1.99 C ATOM 2772 CD LYS B 72 0.987 2.736 16.115 1.00 2.85 C ATOM 2773 CE LYS B 72 -0.394 3.238 16.558 1.00 3.13 C ATOM 2774 NZ LYS B 72 -0.319 3.936 17.859 1.00 4.07 N ATOM 0 H LYS B 72 4.368 0.681 13.462 1.00 1.68 H new ATOM 0 HA LYS B 72 1.848 -0.712 14.120 1.00 1.91 H new ATOM 0 HB2 LYS B 72 2.806 1.142 15.483 1.00 2.22 H new ATOM 0 HB3 LYS B 72 2.881 2.157 14.056 1.00 2.22 H new ATOM 0 HG2 LYS B 72 0.536 2.486 14.004 1.00 1.99 H new ATOM 0 HG3 LYS B 72 0.208 1.061 14.971 1.00 1.99 H new ATOM 0 HD2 LYS B 72 1.432 2.145 16.915 1.00 2.85 H new ATOM 0 HD3 LYS B 72 1.645 3.588 15.944 1.00 2.85 H new ATOM 0 HE2 LYS B 72 -0.797 3.913 15.803 1.00 3.13 H new ATOM 0 HE3 LYS B 72 -1.082 2.396 16.633 1.00 3.13 H new ATOM 0 HZ1 LYS B 72 -1.267 4.264 18.132 1.00 4.07 H new ATOM 0 HZ2 LYS B 72 0.044 3.283 18.583 1.00 4.07 H new ATOM 0 HZ3 LYS B 72 0.320 4.753 17.778 1.00 4.07 H new ATOM 2788 N PHE B 73 0.390 0.303 12.211 1.00 2.06 N ATOM 2789 CA PHE B 73 -0.327 0.500 10.950 1.00 2.16 C ATOM 2790 C PHE B 73 -0.612 1.987 10.690 1.00 2.24 C ATOM 2791 O PHE B 73 -1.745 2.380 10.420 1.00 2.32 O ATOM 2792 CB PHE B 73 -1.609 -0.354 10.914 1.00 2.22 C ATOM 2793 CG PHE B 73 -1.970 -0.859 9.523 1.00 2.69 C ATOM 2794 CD1 PHE B 73 -2.587 -0.023 8.571 1.00 4.31 C ATOM 2795 CD2 PHE B 73 -1.598 -2.163 9.155 1.00 3.21 C ATOM 2796 CE1 PHE B 73 -2.792 -0.483 7.256 1.00 5.68 C ATOM 2797 CE2 PHE B 73 -1.850 -2.641 7.859 1.00 4.75 C ATOM 2798 CZ PHE B 73 -2.440 -1.796 6.905 1.00 5.77 C ATOM 0 H PHE B 73 -0.217 0.166 13.019 1.00 2.06 H new ATOM 0 HA PHE B 73 0.315 0.161 10.137 1.00 2.16 H new ATOM 0 HB2 PHE B 73 -1.485 -1.208 11.580 1.00 2.22 H new ATOM 0 HB3 PHE B 73 -2.439 0.236 11.303 1.00 2.22 H new ATOM 0 HD1 PHE B 73 -2.903 0.971 8.850 1.00 4.31 H new ATOM 0 HD2 PHE B 73 -1.113 -2.804 9.876 1.00 3.21 H new ATOM 0 HE1 PHE B 73 -3.221 0.176 6.516 1.00 5.68 H new ATOM 0 HE2 PHE B 73 -1.591 -3.656 7.596 1.00 4.75 H new ATOM 0 HZ PHE B 73 -2.623 -2.156 5.903 1.00 5.77 H new ATOM 2808 N ASN B 74 0.443 2.805 10.670 1.00 2.32 N ATOM 2809 CA ASN B 74 0.911 3.425 9.433 1.00 2.10 C ATOM 2810 C ASN B 74 2.385 3.822 9.661 1.00 2.02 C ATOM 2811 O ASN B 74 2.806 4.938 9.388 1.00 2.27 O ATOM 2812 CB ASN B 74 -0.029 4.628 9.156 1.00 2.28 C ATOM 2813 CG ASN B 74 0.165 5.407 7.856 1.00 2.38 C ATOM 2814 OD1 ASN B 74 -0.694 5.388 6.974 1.00 2.58 O ATOM 2815 ND2 ASN B 74 1.219 6.196 7.755 1.00 2.75 N ATOM 0 H ASN B 74 0.987 3.052 11.497 1.00 2.32 H new ATOM 0 HA ASN B 74 0.880 2.774 8.559 1.00 2.10 H new ATOM 0 HB2 ASN B 74 -1.055 4.261 9.175 1.00 2.28 H new ATOM 0 HB3 ASN B 74 0.074 5.329 9.984 1.00 2.28 H new ATOM 0 HD21 ASN B 74 1.328 6.799 6.940 1.00 2.75 H new ATOM 0 HD22 ASN B 74 1.924 6.203 8.492 1.00 2.75 H new ATOM 2822 N GLU B 75 3.209 2.903 10.167 1.00 1.80 N ATOM 2823 CA GLU B 75 4.617 2.733 9.862 1.00 1.64 C ATOM 2824 C GLU B 75 4.761 1.673 8.777 1.00 1.48 C ATOM 2825 O GLU B 75 5.240 1.932 7.674 1.00 1.39 O ATOM 2826 CB GLU B 75 5.366 2.385 11.147 1.00 1.62 C ATOM 2827 CG GLU B 75 5.123 3.430 12.248 1.00 1.74 C ATOM 2828 CD GLU B 75 5.852 3.033 13.510 1.00 1.89 C ATOM 2829 OE1 GLU B 75 6.637 2.072 13.480 1.00 2.56 O ATOM 2830 OE2 GLU B 75 5.678 3.620 14.596 1.00 2.43 O ATOM 0 H GLU B 75 2.881 2.215 10.845 1.00 1.80 H new ATOM 0 HA GLU B 75 5.057 3.652 9.475 1.00 1.64 H new ATOM 0 HB2 GLU B 75 5.047 1.404 11.500 1.00 1.62 H new ATOM 0 HB3 GLU B 75 6.434 2.317 10.939 1.00 1.62 H new ATOM 0 HG2 GLU B 75 5.466 4.409 11.913 1.00 1.74 H new ATOM 0 HG3 GLU B 75 4.055 3.518 12.448 1.00 1.74 H new ATOM 2837 N TYR B 76 4.298 0.461 9.133 1.00 1.48 N ATOM 2838 CA TYR B 76 4.417 -0.762 8.347 1.00 1.33 C ATOM 2839 C TYR B 76 3.999 -0.526 6.911 1.00 1.30 C ATOM 2840 O TYR B 76 4.606 -1.076 5.996 1.00 1.08 O ATOM 2841 CB TYR B 76 3.549 -1.880 8.942 1.00 1.48 C ATOM 2842 CG TYR B 76 3.648 -3.167 8.144 1.00 1.40 C ATOM 2843 CD1 TYR B 76 4.680 -4.078 8.423 1.00 2.37 C ATOM 2844 CD2 TYR B 76 2.823 -3.378 7.020 1.00 2.18 C ATOM 2845 CE1 TYR B 76 4.889 -5.191 7.591 1.00 2.90 C ATOM 2846 CE2 TYR B 76 3.083 -4.446 6.145 1.00 2.66 C ATOM 2847 CZ TYR B 76 4.108 -5.359 6.436 1.00 2.67 C ATOM 2848 OH TYR B 76 4.284 -6.451 5.643 1.00 3.48 O ATOM 0 H TYR B 76 3.811 0.310 10.016 1.00 1.48 H new ATOM 0 HA TYR B 76 5.464 -1.064 8.372 1.00 1.33 H new ATOM 0 HB2 TYR B 76 3.856 -2.068 9.971 1.00 1.48 H new ATOM 0 HB3 TYR B 76 2.510 -1.553 8.974 1.00 1.48 H new ATOM 0 HD1 TYR B 76 5.316 -3.922 9.282 1.00 2.37 H new ATOM 0 HD2 TYR B 76 1.990 -2.717 6.831 1.00 2.18 H new ATOM 0 HE1 TYR B 76 5.649 -5.916 7.840 1.00 2.90 H new ATOM 0 HE2 TYR B 76 2.494 -4.564 5.248 1.00 2.66 H new ATOM 0 HH TYR B 76 3.661 -6.410 4.887 1.00 3.48 H new ATOM 2858 N TRP B 77 2.953 0.288 6.737 1.00 1.55 N ATOM 2859 CA TRP B 77 2.454 0.687 5.441 1.00 1.61 C ATOM 2860 C TRP B 77 3.598 0.962 4.458 1.00 1.27 C ATOM 2861 O TRP B 77 3.517 0.545 3.302 1.00 1.17 O ATOM 2862 CB TRP B 77 1.535 1.911 5.570 1.00 2.05 C ATOM 2863 CG TRP B 77 1.119 2.429 4.232 1.00 1.83 C ATOM 2864 CD1 TRP B 77 0.740 1.628 3.212 1.00 1.51 C ATOM 2865 CD2 TRP B 77 1.190 3.778 3.668 1.00 2.82 C ATOM 2866 NE1 TRP B 77 0.710 2.361 2.055 1.00 1.61 N ATOM 2867 CE2 TRP B 77 1.037 3.674 2.259 1.00 2.17 C ATOM 2868 CE3 TRP B 77 1.289 5.095 4.169 1.00 4.54 C ATOM 2869 CZ2 TRP B 77 1.148 4.777 1.404 1.00 2.94 C ATOM 2870 CZ3 TRP B 77 1.118 6.179 3.283 1.00 5.28 C ATOM 2871 CH2 TRP B 77 1.505 6.001 1.958 1.00 4.52 C ATOM 0 H TRP B 77 2.428 0.689 7.514 1.00 1.55 H new ATOM 0 HA TRP B 77 1.870 -0.141 5.039 1.00 1.61 H new ATOM 0 HB2 TRP B 77 0.651 1.644 6.148 1.00 2.05 H new ATOM 0 HB3 TRP B 77 2.051 2.697 6.121 1.00 2.05 H new ATOM 0 HD1 TRP B 77 0.499 0.578 3.295 1.00 1.51 H new ATOM 0 HE1 TRP B 77 0.471 1.971 1.143 1.00 1.61 H new ATOM 0 HE3 TRP B 77 1.493 5.269 5.215 1.00 4.54 H new ATOM 0 HZ2 TRP B 77 0.962 4.680 0.345 1.00 2.94 H new ATOM 0 HZ3 TRP B 77 0.701 7.116 3.621 1.00 5.28 H new ATOM 0 HH2 TRP B 77 2.042 6.756 1.403 1.00 4.52 H new ATOM 2882 N ARG B 78 4.668 1.633 4.907 1.00 1.20 N ATOM 2883 CA ARG B 78 5.810 1.930 4.059 1.00 1.01 C ATOM 2884 C ARG B 78 6.324 0.712 3.300 1.00 0.73 C ATOM 2885 O ARG B 78 6.819 0.897 2.202 1.00 0.92 O ATOM 2886 CB ARG B 78 6.965 2.571 4.829 1.00 1.19 C ATOM 2887 CG ARG B 78 6.726 4.040 5.197 1.00 1.66 C ATOM 2888 CD ARG B 78 7.057 4.921 3.982 1.00 2.71 C ATOM 2889 NE ARG B 78 6.934 6.352 4.286 1.00 3.13 N ATOM 2890 CZ ARG B 78 7.214 7.332 3.410 1.00 4.25 C ATOM 2891 NH1 ARG B 78 7.652 7.026 2.182 1.00 5.13 N ATOM 2892 NH2 ARG B 78 7.053 8.612 3.766 1.00 5.05 N ATOM 0 H ARG B 78 4.757 1.979 5.862 1.00 1.20 H new ATOM 0 HA ARG B 78 5.432 2.650 3.333 1.00 1.01 H new ATOM 0 HB2 ARG B 78 7.141 2.002 5.742 1.00 1.19 H new ATOM 0 HB3 ARG B 78 7.872 2.500 4.229 1.00 1.19 H new ATOM 0 HG2 ARG B 78 5.689 4.189 5.498 1.00 1.66 H new ATOM 0 HG3 ARG B 78 7.348 4.321 6.047 1.00 1.66 H new ATOM 0 HD2 ARG B 78 8.072 4.708 3.647 1.00 2.71 H new ATOM 0 HD3 ARG B 78 6.389 4.667 3.158 1.00 2.71 H new ATOM 0 HE ARG B 78 6.617 6.618 5.218 1.00 3.13 H new ATOM 0 HH11 ARG B 78 7.773 6.050 1.912 1.00 5.13 H new ATOM 0 HH12 ARG B 78 7.865 7.769 1.517 1.00 5.13 H new ATOM 0 HH21 ARG B 78 6.718 8.843 4.701 1.00 5.05 H new ATOM 0 HH22 ARG B 78 7.265 9.357 3.102 1.00 5.05 H new ATOM 2906 N LEU B 79 6.218 -0.522 3.797 1.00 0.50 N ATOM 2907 CA LEU B 79 6.626 -1.650 2.978 1.00 0.53 C ATOM 2908 C LEU B 79 5.851 -1.684 1.657 1.00 0.67 C ATOM 2909 O LEU B 79 6.460 -1.873 0.612 1.00 0.71 O ATOM 2910 CB LEU B 79 6.525 -2.977 3.740 1.00 0.72 C ATOM 2911 CG LEU B 79 7.325 -4.074 3.011 1.00 0.98 C ATOM 2912 CD1 LEU B 79 8.823 -3.727 2.951 1.00 1.10 C ATOM 2913 CD2 LEU B 79 7.109 -5.437 3.677 1.00 1.03 C ATOM 0 H LEU B 79 5.867 -0.755 4.726 1.00 0.50 H new ATOM 0 HA LEU B 79 7.679 -1.513 2.733 1.00 0.53 H new ATOM 0 HB2 LEU B 79 6.906 -2.852 4.754 1.00 0.72 H new ATOM 0 HB3 LEU B 79 5.480 -3.276 3.827 1.00 0.72 H new ATOM 0 HG LEU B 79 6.956 -4.130 1.987 1.00 0.98 H new ATOM 0 HD11 LEU B 79 9.360 -4.520 2.431 1.00 1.10 H new ATOM 0 HD12 LEU B 79 8.958 -2.787 2.416 1.00 1.10 H new ATOM 0 HD13 LEU B 79 9.214 -3.628 3.963 1.00 1.10 H new ATOM 0 HD21 LEU B 79 7.683 -6.196 3.146 1.00 1.03 H new ATOM 0 HD22 LEU B 79 7.440 -5.391 4.715 1.00 1.03 H new ATOM 0 HD23 LEU B 79 6.050 -5.694 3.645 1.00 1.03 H new ATOM 2925 N ILE B 80 4.530 -1.474 1.666 1.00 0.91 N ATOM 2926 CA ILE B 80 3.703 -1.448 0.480 1.00 1.27 C ATOM 2927 C ILE B 80 3.828 -0.061 -0.184 1.00 1.53 C ATOM 2928 O ILE B 80 3.752 0.055 -1.406 1.00 1.83 O ATOM 2929 CB ILE B 80 2.269 -1.884 0.848 1.00 1.31 C ATOM 2930 CG1 ILE B 80 2.218 -2.870 2.036 1.00 1.50 C ATOM 2931 CG2 ILE B 80 1.644 -2.548 -0.387 1.00 1.44 C ATOM 2932 CD1 ILE B 80 0.809 -3.392 2.330 1.00 1.66 C ATOM 0 H ILE B 80 4.004 -1.315 2.526 1.00 0.91 H new ATOM 0 HA ILE B 80 4.034 -2.164 -0.272 1.00 1.27 H new ATOM 0 HB ILE B 80 1.718 -0.996 1.157 1.00 1.31 H new ATOM 0 HG12 ILE B 80 2.874 -3.715 1.827 1.00 1.50 H new ATOM 0 HG13 ILE B 80 2.608 -2.376 2.926 1.00 1.50 H new ATOM 0 HG21 ILE B 80 0.628 -2.866 -0.154 1.00 1.44 H new ATOM 0 HG22 ILE B 80 1.621 -1.835 -1.211 1.00 1.44 H new ATOM 0 HG23 ILE B 80 2.239 -3.415 -0.674 1.00 1.44 H new ATOM 0 HD11 ILE B 80 0.845 -4.079 3.175 1.00 1.66 H new ATOM 0 HD12 ILE B 80 0.154 -2.555 2.570 1.00 1.66 H new ATOM 0 HD13 ILE B 80 0.424 -3.914 1.454 1.00 1.66 H new ATOM 2944 N GLY B 81 4.135 0.960 0.639 1.00 1.49 N ATOM 2945 CA GLY B 81 4.706 2.257 0.280 1.00 1.80 C ATOM 2946 C GLY B 81 5.718 2.092 -0.824 1.00 1.45 C ATOM 2947 O GLY B 81 5.670 2.732 -1.873 1.00 1.78 O ATOM 0 H GLY B 81 3.976 0.887 1.644 1.00 1.49 H new ATOM 0 HA2 GLY B 81 3.915 2.935 -0.040 1.00 1.80 H new ATOM 0 HA3 GLY B 81 5.179 2.708 1.152 1.00 1.80 H new ATOM 2951 N GLU B 82 6.676 1.246 -0.485 1.00 0.93 N ATOM 2952 CA GLU B 82 7.860 0.987 -1.227 1.00 0.86 C ATOM 2953 C GLU B 82 7.528 -0.023 -2.318 1.00 1.04 C ATOM 2954 O GLU B 82 7.558 0.358 -3.472 1.00 1.27 O ATOM 2955 CB GLU B 82 8.944 0.607 -0.207 1.00 0.75 C ATOM 2956 CG GLU B 82 9.246 1.825 0.707 1.00 0.85 C ATOM 2957 CD GLU B 82 10.059 2.903 -0.010 1.00 1.54 C ATOM 2958 OE1 GLU B 82 11.211 2.646 -0.424 1.00 2.47 O ATOM 2959 OE2 GLU B 82 9.471 3.984 -0.247 1.00 2.49 O ATOM 0 H GLU B 82 6.627 0.696 0.373 1.00 0.93 H new ATOM 0 HA GLU B 82 8.264 1.838 -1.776 1.00 0.86 H new ATOM 0 HB2 GLU B 82 8.611 -0.239 0.395 1.00 0.75 H new ATOM 0 HB3 GLU B 82 9.851 0.293 -0.724 1.00 0.75 H new ATOM 0 HG2 GLU B 82 8.308 2.254 1.058 1.00 0.85 H new ATOM 0 HG3 GLU B 82 9.792 1.488 1.588 1.00 0.85 H new ATOM 2966 N LEU B 83 7.132 -1.259 -1.999 1.00 1.04 N ATOM 2967 CA LEU B 83 6.997 -2.372 -2.949 1.00 1.20 C ATOM 2968 C LEU B 83 6.436 -1.946 -4.312 1.00 1.13 C ATOM 2969 O LEU B 83 7.089 -2.126 -5.343 1.00 1.09 O ATOM 2970 CB LEU B 83 6.070 -3.438 -2.342 1.00 1.70 C ATOM 2971 CG LEU B 83 6.710 -4.751 -1.889 1.00 0.70 C ATOM 2972 CD1 LEU B 83 7.904 -4.559 -0.947 1.00 2.10 C ATOM 2973 CD2 LEU B 83 5.634 -5.626 -1.241 1.00 1.81 C ATOM 0 H LEU B 83 6.889 -1.523 -1.044 1.00 1.04 H new ATOM 0 HA LEU B 83 7.999 -2.763 -3.124 1.00 1.20 H new ATOM 0 HB2 LEU B 83 5.565 -2.996 -1.483 1.00 1.70 H new ATOM 0 HB3 LEU B 83 5.301 -3.674 -3.078 1.00 1.70 H new ATOM 0 HG LEU B 83 7.118 -5.242 -2.772 1.00 0.70 H new ATOM 0 HD11 LEU B 83 8.307 -5.532 -0.667 1.00 2.10 H new ATOM 0 HD12 LEU B 83 8.676 -3.978 -1.452 1.00 2.10 H new ATOM 0 HD13 LEU B 83 7.579 -4.030 -0.051 1.00 2.10 H new ATOM 0 HD21 LEU B 83 6.078 -6.566 -0.913 1.00 1.81 H new ATOM 0 HD22 LEU B 83 5.211 -5.106 -0.382 1.00 1.81 H new ATOM 0 HD23 LEU B 83 4.846 -5.830 -1.966 1.00 1.81 H new ATOM 2985 N ALA B 84 5.224 -1.382 -4.307 1.00 1.16 N ATOM 2986 CA ALA B 84 4.537 -0.958 -5.521 1.00 1.20 C ATOM 2987 C ALA B 84 5.393 0.006 -6.336 1.00 1.17 C ATOM 2988 O ALA B 84 5.371 -0.023 -7.559 1.00 1.41 O ATOM 2989 CB ALA B 84 3.193 -0.330 -5.153 1.00 1.24 C ATOM 0 H ALA B 84 4.693 -1.208 -3.454 1.00 1.16 H new ATOM 0 HA ALA B 84 4.359 -1.832 -6.148 1.00 1.20 H new ATOM 0 HB1 ALA B 84 2.679 -0.013 -6.060 1.00 1.24 H new ATOM 0 HB2 ALA B 84 2.581 -1.062 -4.627 1.00 1.24 H new ATOM 0 HB3 ALA B 84 3.359 0.534 -4.509 1.00 1.24 H new ATOM 2995 N LYS B 85 6.149 0.865 -5.664 1.00 0.95 N ATOM 2996 CA LYS B 85 7.081 1.782 -6.285 1.00 0.91 C ATOM 2997 C LYS B 85 8.412 1.105 -6.648 1.00 0.82 C ATOM 2998 O LYS B 85 8.955 1.398 -7.709 1.00 0.78 O ATOM 2999 CB LYS B 85 7.215 2.961 -5.331 1.00 1.14 C ATOM 3000 CG LYS B 85 8.266 3.999 -5.710 1.00 1.19 C ATOM 3001 CD LYS B 85 8.082 5.237 -4.839 1.00 1.58 C ATOM 3002 CE LYS B 85 7.921 4.871 -3.358 1.00 0.78 C ATOM 3003 NZ LYS B 85 9.061 4.095 -2.813 1.00 1.61 N ATOM 0 H LYS B 85 6.126 0.941 -4.647 1.00 0.95 H new ATOM 0 HA LYS B 85 6.716 2.135 -7.250 1.00 0.91 H new ATOM 0 HB2 LYS B 85 6.248 3.459 -5.259 1.00 1.14 H new ATOM 0 HB3 LYS B 85 7.451 2.577 -4.338 1.00 1.14 H new ATOM 0 HG2 LYS B 85 9.266 3.588 -5.573 1.00 1.19 H new ATOM 0 HG3 LYS B 85 8.171 4.263 -6.763 1.00 1.19 H new ATOM 0 HD2 LYS B 85 8.941 5.897 -4.959 1.00 1.58 H new ATOM 0 HD3 LYS B 85 7.205 5.791 -5.174 1.00 1.58 H new ATOM 0 HE2 LYS B 85 7.803 5.786 -2.777 1.00 0.78 H new ATOM 0 HE3 LYS B 85 7.005 4.293 -3.232 1.00 0.78 H new ATOM 0 HZ1 LYS B 85 8.963 4.012 -1.781 1.00 1.61 H new ATOM 0 HZ2 LYS B 85 9.069 3.145 -3.237 1.00 1.61 H new ATOM 0 HZ3 LYS B 85 9.952 4.582 -3.038 1.00 1.61 H new ATOM 3017 N GLU B 86 8.957 0.217 -5.807 1.00 0.88 N ATOM 3018 CA GLU B 86 10.245 -0.441 -6.017 1.00 0.94 C ATOM 3019 C GLU B 86 10.269 -1.267 -7.295 1.00 0.96 C ATOM 3020 O GLU B 86 11.333 -1.461 -7.877 1.00 1.12 O ATOM 3021 CB GLU B 86 10.640 -1.327 -4.831 1.00 0.99 C ATOM 3022 CG GLU B 86 10.673 -0.612 -3.474 1.00 1.17 C ATOM 3023 CD GLU B 86 11.055 0.860 -3.552 1.00 2.02 C ATOM 3024 OE1 GLU B 86 12.262 1.087 -3.768 1.00 2.09 O ATOM 3025 OE2 GLU B 86 10.194 1.760 -3.366 1.00 3.19 O ATOM 0 H GLU B 86 8.500 -0.068 -4.941 1.00 0.88 H new ATOM 0 HA GLU B 86 10.974 0.364 -6.111 1.00 0.94 H new ATOM 0 HB2 GLU B 86 9.940 -2.160 -4.769 1.00 0.99 H new ATOM 0 HB3 GLU B 86 11.625 -1.752 -5.026 1.00 0.99 H new ATOM 0 HG2 GLU B 86 9.691 -0.697 -3.008 1.00 1.17 H new ATOM 0 HG3 GLU B 86 11.381 -1.125 -2.823 1.00 1.17 H new ATOM 3032 N ILE B 87 9.100 -1.727 -7.752 1.00 0.93 N ATOM 3033 CA ILE B 87 8.960 -2.284 -9.091 1.00 0.97 C ATOM 3034 C ILE B 87 9.706 -1.384 -10.108 1.00 0.85 C ATOM 3035 O ILE B 87 10.414 -1.879 -10.982 1.00 1.00 O ATOM 3036 CB ILE B 87 7.457 -2.495 -9.402 1.00 1.07 C ATOM 3037 CG1 ILE B 87 7.234 -3.581 -10.469 1.00 1.33 C ATOM 3038 CG2 ILE B 87 6.806 -1.203 -9.911 1.00 1.00 C ATOM 3039 CD1 ILE B 87 7.035 -4.967 -9.849 1.00 0.77 C ATOM 0 H ILE B 87 8.237 -1.722 -7.208 1.00 0.93 H new ATOM 0 HA ILE B 87 9.426 -3.266 -9.165 1.00 0.97 H new ATOM 0 HB ILE B 87 7.000 -2.806 -8.462 1.00 1.07 H new ATOM 0 HG12 ILE B 87 6.361 -3.325 -11.070 1.00 1.33 H new ATOM 0 HG13 ILE B 87 8.089 -3.606 -11.144 1.00 1.33 H new ATOM 0 HG21 ILE B 87 5.752 -1.385 -10.120 1.00 1.00 H new ATOM 0 HG22 ILE B 87 6.897 -0.426 -9.152 1.00 1.00 H new ATOM 0 HG23 ILE B 87 7.306 -0.879 -10.824 1.00 1.00 H new ATOM 0 HD11 ILE B 87 6.881 -5.701 -10.640 1.00 0.77 H new ATOM 0 HD12 ILE B 87 7.918 -5.237 -9.270 1.00 0.77 H new ATOM 0 HD13 ILE B 87 6.163 -4.951 -9.195 1.00 0.77 H new ATOM 3051 N ARG B 88 9.535 -0.057 -9.988 1.00 0.74 N ATOM 3052 CA ARG B 88 10.263 0.986 -10.702 1.00 0.95 C ATOM 3053 C ARG B 88 11.587 1.377 -10.020 1.00 1.11 C ATOM 3054 O ARG B 88 12.647 1.357 -10.643 1.00 1.59 O ATOM 3055 CB ARG B 88 9.322 2.190 -10.881 1.00 1.06 C ATOM 3056 CG ARG B 88 9.857 3.290 -11.806 1.00 1.80 C ATOM 3057 CD ARG B 88 10.034 2.793 -13.246 1.00 2.66 C ATOM 3058 NE ARG B 88 10.242 3.916 -14.171 1.00 2.68 N ATOM 3059 CZ ARG B 88 10.381 3.793 -15.500 1.00 3.61 C ATOM 3060 NH1 ARG B 88 10.358 2.578 -16.060 1.00 4.78 N ATOM 3061 NH2 ARG B 88 10.541 4.882 -16.261 1.00 3.93 N ATOM 0 H ARG B 88 8.841 0.332 -9.349 1.00 0.74 H new ATOM 0 HA ARG B 88 10.563 0.602 -11.677 1.00 0.95 H new ATOM 0 HB2 ARG B 88 8.370 1.834 -11.275 1.00 1.06 H new ATOM 0 HB3 ARG B 88 9.120 2.624 -9.902 1.00 1.06 H new ATOM 0 HG2 ARG B 88 9.171 4.137 -11.796 1.00 1.80 H new ATOM 0 HG3 ARG B 88 10.813 3.650 -11.426 1.00 1.80 H new ATOM 0 HD2 ARG B 88 10.884 2.113 -13.297 1.00 2.66 H new ATOM 0 HD3 ARG B 88 9.154 2.226 -13.549 1.00 2.66 H new ATOM 0 HE ARG B 88 10.284 4.855 -13.775 1.00 2.68 H new ATOM 0 HH11 ARG B 88 10.235 1.750 -15.477 1.00 4.78 H new ATOM 0 HH12 ARG B 88 10.463 2.480 -17.070 1.00 4.78 H new ATOM 0 HH21 ARG B 88 10.557 5.807 -15.831 1.00 3.93 H new ATOM 0 HH22 ARG B 88 10.647 4.787 -17.271 1.00 3.93 H new ATOM 3075 N LYS B 89 11.504 1.856 -8.773 1.00 0.92 N ATOM 3076 CA LYS B 89 12.577 2.530 -8.048 1.00 1.17 C ATOM 3077 C LYS B 89 13.741 1.580 -7.754 1.00 1.28 C ATOM 3078 O LYS B 89 13.609 0.661 -6.955 1.00 1.65 O ATOM 3079 CB LYS B 89 11.986 3.158 -6.768 1.00 1.37 C ATOM 3080 CG LYS B 89 12.986 3.534 -5.659 1.00 2.65 C ATOM 3081 CD LYS B 89 12.214 4.217 -4.517 1.00 3.00 C ATOM 3082 CE LYS B 89 12.984 4.322 -3.185 1.00 4.71 C ATOM 3083 NZ LYS B 89 12.903 3.104 -2.348 1.00 6.34 N ATOM 0 H LYS B 89 10.649 1.779 -8.222 1.00 0.92 H new ATOM 0 HA LYS B 89 12.997 3.324 -8.665 1.00 1.17 H new ATOM 0 HB2 LYS B 89 11.438 4.057 -7.051 1.00 1.37 H new ATOM 0 HB3 LYS B 89 11.260 2.460 -6.350 1.00 1.37 H new ATOM 0 HG2 LYS B 89 13.497 2.644 -5.292 1.00 2.65 H new ATOM 0 HG3 LYS B 89 13.753 4.202 -6.051 1.00 2.65 H new ATOM 0 HD2 LYS B 89 11.933 5.220 -4.837 1.00 3.00 H new ATOM 0 HD3 LYS B 89 11.289 3.667 -4.343 1.00 3.00 H new ATOM 0 HE2 LYS B 89 14.031 4.536 -3.398 1.00 4.71 H new ATOM 0 HE3 LYS B 89 12.595 5.168 -2.618 1.00 4.71 H new ATOM 0 HZ1 LYS B 89 13.739 3.050 -1.731 1.00 6.34 H new ATOM 0 HZ2 LYS B 89 12.043 3.141 -1.764 1.00 6.34 H new ATOM 0 HZ3 LYS B 89 12.870 2.264 -2.960 1.00 6.34 H new