USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot 76:sc= 2.21 USER MOD Set 1.2: A 111 HIS : no HE2:sc= 1.07 K(o=3.3,f=-7.5!) USER MOD Set 2.1: A 68 THR OG1 : rot -74:sc= 0.578 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.175 K(o=0.4,f=-0.73) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.493) USER MOD Single : A 52 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -8:sc= 1.2 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 1.07 (180deg=-0.28) USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= 0.922 (180deg=0.489) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.159) USER MOD Single : A 76 MET CE :methyl -145:sc= -0.577 (180deg=-2.59!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 59:sc= 0.374 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.424 K(o=-0.42,f=-5.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.025) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0559 (180deg=-0.377) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A 110 ASN :FLIP amide:sc= 0.539 F(o=-2.9!,f=0.54) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.761) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 134 SER OG : rot 96:sc= 1.27 USER MOD Single : A 135 LYS NZ :NH3+ -174:sc= 1.3 (180deg=0.997) USER MOD Single : A 138 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0057) USER MOD Single : B 144 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 148 THR OG1 : rot 151:sc= 1.14 USER MOD Single : B 152 THR OG1 : rot 127:sc= 1.25 USER MOD Single : B 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -31.460 -1.986 2.403 1.00 10.97 N ATOM 2 CA GLY A 35 -30.978 -1.460 1.104 1.00 10.19 C ATOM 3 C GLY A 35 -29.921 -0.389 1.280 1.00 9.10 C ATOM 4 O GLY A 35 -29.807 0.198 2.354 1.00 8.96 O ATOM 0 HA2 GLY A 35 -30.569 -2.278 0.511 1.00 10.19 H new ATOM 0 HA3 GLY A 35 -31.819 -1.050 0.545 1.00 10.19 H new ATOM 10 N PRO A 36 -29.123 -0.119 0.238 1.00 8.54 N ATOM 11 CA PRO A 36 -28.073 0.896 0.274 1.00 7.65 C ATOM 12 C PRO A 36 -28.633 2.305 0.114 1.00 6.89 C ATOM 13 O PRO A 36 -29.518 2.544 -0.712 1.00 7.16 O ATOM 14 CB PRO A 36 -27.177 0.540 -0.927 1.00 7.68 C ATOM 15 CG PRO A 36 -27.746 -0.718 -1.506 1.00 8.48 C ATOM 16 CD PRO A 36 -29.176 -0.777 -1.064 1.00 9.00 C ATOM 0 HA PRO A 36 -27.544 0.898 1.227 1.00 7.65 H new ATOM 0 HB2 PRO A 36 -27.175 1.343 -1.664 1.00 7.68 H new ATOM 0 HB3 PRO A 36 -26.144 0.393 -0.613 1.00 7.68 H new ATOM 0 HG2 PRO A 36 -27.676 -0.712 -2.594 1.00 8.48 H new ATOM 0 HG3 PRO A 36 -27.195 -1.591 -1.156 1.00 8.48 H new ATOM 0 HD2 PRO A 36 -29.838 -0.257 -1.756 1.00 9.00 H new ATOM 0 HD3 PRO A 36 -29.537 -1.803 -0.988 1.00 9.00 H new ATOM 24 N LEU A 37 -28.118 3.236 0.905 1.00 6.26 N ATOM 25 CA LEU A 37 -28.574 4.619 0.848 1.00 5.84 C ATOM 26 C LEU A 37 -27.434 5.547 0.453 1.00 5.04 C ATOM 27 O LEU A 37 -27.527 6.285 -0.527 1.00 5.27 O ATOM 28 CB LEU A 37 -29.148 5.051 2.199 1.00 6.34 C ATOM 29 CG LEU A 37 -30.420 4.313 2.631 1.00 6.76 C ATOM 30 CD1 LEU A 37 -30.860 4.772 4.010 1.00 7.27 C ATOM 31 CD2 LEU A 37 -31.540 4.523 1.620 1.00 7.42 C ATOM 0 H LEU A 37 -27.386 3.060 1.593 1.00 6.26 H new ATOM 0 HA LEU A 37 -29.357 4.684 0.093 1.00 5.84 H new ATOM 0 HB2 LEU A 37 -28.385 4.906 2.964 1.00 6.34 H new ATOM 0 HB3 LEU A 37 -29.362 6.119 2.161 1.00 6.34 H new ATOM 0 HG LEU A 37 -30.194 3.247 2.674 1.00 6.76 H new ATOM 0 HD11 LEU A 37 -31.764 4.237 4.300 1.00 7.27 H new ATOM 0 HD12 LEU A 37 -30.069 4.566 4.732 1.00 7.27 H new ATOM 0 HD13 LEU A 37 -31.062 5.843 3.990 1.00 7.27 H new ATOM 0 HD21 LEU A 37 -32.432 3.989 1.949 1.00 7.42 H new ATOM 0 HD22 LEU A 37 -31.763 5.587 1.539 1.00 7.42 H new ATOM 0 HD23 LEU A 37 -31.228 4.143 0.647 1.00 7.42 H new ATOM 43 N GLY A 38 -26.354 5.501 1.221 1.00 4.46 N ATOM 44 CA GLY A 38 -25.223 6.364 0.957 1.00 3.99 C ATOM 45 C GLY A 38 -24.191 5.715 0.061 1.00 3.17 C ATOM 46 O GLY A 38 -23.242 5.098 0.552 1.00 3.12 O ATOM 0 H GLY A 38 -26.242 4.880 2.023 1.00 4.46 H new ATOM 0 HA2 GLY A 38 -25.575 7.285 0.492 1.00 3.99 H new ATOM 0 HA3 GLY A 38 -24.755 6.642 1.901 1.00 3.99 H new ATOM 50 N SER A 39 -24.398 5.841 -1.250 1.00 3.10 N ATOM 51 CA SER A 39 -23.467 5.327 -2.254 1.00 2.87 C ATOM 52 C SER A 39 -23.406 3.797 -2.218 1.00 2.54 C ATOM 53 O SER A 39 -24.225 3.147 -1.565 1.00 2.63 O ATOM 54 CB SER A 39 -22.075 5.929 -2.041 1.00 3.26 C ATOM 55 OG SER A 39 -22.131 7.345 -2.052 1.00 3.97 O ATOM 0 H SER A 39 -25.217 6.303 -1.646 1.00 3.10 H new ATOM 0 HA SER A 39 -23.829 5.622 -3.239 1.00 2.87 H new ATOM 0 HB2 SER A 39 -21.666 5.584 -1.091 1.00 3.26 H new ATOM 0 HB3 SER A 39 -21.400 5.581 -2.823 1.00 3.26 H new ATOM 0 HG SER A 39 -21.232 7.709 -1.913 1.00 3.97 H new ATOM 61 N ASP A 40 -22.448 3.232 -2.940 1.00 2.38 N ATOM 62 CA ASP A 40 -22.270 1.785 -2.992 1.00 2.24 C ATOM 63 C ASP A 40 -21.141 1.354 -2.062 1.00 1.92 C ATOM 64 O ASP A 40 -20.071 1.964 -2.047 1.00 1.94 O ATOM 65 CB ASP A 40 -21.967 1.348 -4.426 1.00 2.59 C ATOM 66 CG ASP A 40 -22.061 -0.150 -4.619 1.00 2.94 C ATOM 67 OD1 ASP A 40 -23.187 -0.685 -4.652 1.00 3.15 O ATOM 68 OD2 ASP A 40 -21.000 -0.805 -4.706 1.00 3.46 O ATOM 0 H ASP A 40 -21.777 3.757 -3.502 1.00 2.38 H new ATOM 0 HA ASP A 40 -23.192 1.307 -2.662 1.00 2.24 H new ATOM 0 HB2 ASP A 40 -22.663 1.841 -5.105 1.00 2.59 H new ATOM 0 HB3 ASP A 40 -20.966 1.682 -4.698 1.00 2.59 H new ATOM 73 N ASP A 41 -21.392 0.309 -1.288 1.00 1.79 N ATOM 74 CA ASP A 41 -20.420 -0.180 -0.314 1.00 1.55 C ATOM 75 C ASP A 41 -19.762 -1.463 -0.806 1.00 1.46 C ATOM 76 O ASP A 41 -20.441 -2.395 -1.241 1.00 1.73 O ATOM 77 CB ASP A 41 -21.091 -0.419 1.043 1.00 1.57 C ATOM 78 CG ASP A 41 -20.148 -1.039 2.059 1.00 1.41 C ATOM 79 OD1 ASP A 41 -19.126 -0.409 2.394 1.00 1.44 O ATOM 80 OD2 ASP A 41 -20.417 -2.174 2.513 1.00 1.93 O ATOM 0 H ASP A 41 -22.263 -0.221 -1.314 1.00 1.79 H new ATOM 0 HA ASP A 41 -19.649 0.581 -0.194 1.00 1.55 H new ATOM 0 HB2 ASP A 41 -21.465 0.528 1.431 1.00 1.57 H new ATOM 0 HB3 ASP A 41 -21.954 -1.071 0.908 1.00 1.57 H new ATOM 85 N VAL A 42 -18.438 -1.504 -0.740 1.00 1.22 N ATOM 86 CA VAL A 42 -17.687 -2.654 -1.208 1.00 1.13 C ATOM 87 C VAL A 42 -16.792 -3.227 -0.098 1.00 1.01 C ATOM 88 O VAL A 42 -16.363 -2.503 0.805 1.00 0.98 O ATOM 89 CB VAL A 42 -16.829 -2.284 -2.445 1.00 1.13 C ATOM 90 CG1 VAL A 42 -15.754 -1.265 -2.093 1.00 1.85 C ATOM 91 CG2 VAL A 42 -16.201 -3.520 -3.066 1.00 1.59 C ATOM 0 H VAL A 42 -17.863 -0.750 -0.365 1.00 1.22 H new ATOM 0 HA VAL A 42 -18.407 -3.420 -1.495 1.00 1.13 H new ATOM 0 HB VAL A 42 -17.497 -1.832 -3.178 1.00 1.13 H new ATOM 0 HG11 VAL A 42 -15.171 -1.028 -2.983 1.00 1.85 H new ATOM 0 HG12 VAL A 42 -16.223 -0.357 -1.715 1.00 1.85 H new ATOM 0 HG13 VAL A 42 -15.097 -1.679 -1.329 1.00 1.85 H new ATOM 0 HG21 VAL A 42 -15.605 -3.230 -3.931 1.00 1.59 H new ATOM 0 HG22 VAL A 42 -15.561 -4.010 -2.333 1.00 1.59 H new ATOM 0 HG23 VAL A 42 -16.986 -4.208 -3.380 1.00 1.59 H new ATOM 101 N GLU A 43 -16.547 -4.531 -0.163 1.00 1.02 N ATOM 102 CA GLU A 43 -15.619 -5.199 0.740 1.00 0.97 C ATOM 103 C GLU A 43 -14.198 -5.064 0.198 1.00 0.80 C ATOM 104 O GLU A 43 -13.995 -5.012 -1.018 1.00 0.79 O ATOM 105 CB GLU A 43 -15.995 -6.678 0.883 1.00 1.17 C ATOM 106 CG GLU A 43 -15.035 -7.478 1.752 1.00 1.78 C ATOM 107 CD GLU A 43 -15.040 -7.030 3.200 1.00 2.27 C ATOM 108 OE1 GLU A 43 -14.315 -6.068 3.525 1.00 3.10 O ATOM 109 OE2 GLU A 43 -15.770 -7.634 4.013 1.00 2.15 O ATOM 0 H GLU A 43 -16.986 -5.153 -0.842 1.00 1.02 H new ATOM 0 HA GLU A 43 -15.673 -4.732 1.724 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -16.997 -6.749 1.306 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -16.035 -7.130 -0.108 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -15.301 -8.534 1.702 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -14.026 -7.385 1.351 1.00 1.78 H new ATOM 116 N TRP A 44 -13.220 -5.006 1.091 1.00 0.71 N ATOM 117 CA TRP A 44 -11.840 -4.835 0.674 1.00 0.60 C ATOM 118 C TRP A 44 -11.221 -6.189 0.343 1.00 0.60 C ATOM 119 O TRP A 44 -10.960 -7.000 1.231 1.00 0.64 O ATOM 120 CB TRP A 44 -11.026 -4.122 1.759 1.00 0.57 C ATOM 121 CG TRP A 44 -9.788 -3.465 1.222 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.640 -2.907 -0.016 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.539 -3.274 1.901 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.378 -2.390 -0.150 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.684 -2.597 1.009 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.056 -3.604 3.173 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.381 -2.246 1.345 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.757 -3.253 3.504 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.935 -2.577 2.590 1.00 0.44 C ATOM 0 H TRP A 44 -13.357 -5.074 2.099 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.824 -4.213 -0.221 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.651 -3.370 2.240 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.745 -4.842 2.528 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.405 -2.878 -0.777 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -8.015 -1.925 -0.982 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.684 -4.122 3.883 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.744 -1.729 0.643 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.371 -3.504 4.481 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -4.928 -2.313 2.879 1.00 0.44 H new ATOM 140 N VAL A 45 -10.981 -6.413 -0.945 1.00 0.61 N ATOM 141 CA VAL A 45 -10.474 -7.694 -1.436 1.00 0.64 C ATOM 142 C VAL A 45 -9.079 -8.011 -0.876 1.00 0.57 C ATOM 143 O VAL A 45 -8.633 -9.159 -0.897 1.00 0.69 O ATOM 144 CB VAL A 45 -10.436 -7.707 -2.986 1.00 0.72 C ATOM 145 CG1 VAL A 45 -9.413 -6.710 -3.517 1.00 1.45 C ATOM 146 CG2 VAL A 45 -10.155 -9.107 -3.518 1.00 1.28 C ATOM 0 H VAL A 45 -11.131 -5.717 -1.676 1.00 0.61 H new ATOM 0 HA VAL A 45 -11.159 -8.467 -1.086 1.00 0.64 H new ATOM 0 HB VAL A 45 -11.420 -7.404 -3.344 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -9.407 -6.740 -4.607 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -9.676 -5.706 -3.183 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -8.423 -6.970 -3.142 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -10.134 -9.085 -4.608 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.191 -9.452 -3.144 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -10.938 -9.787 -3.184 1.00 1.28 H new ATOM 156 N VAL A 46 -8.403 -6.995 -0.367 1.00 0.46 N ATOM 157 CA VAL A 46 -7.080 -7.176 0.210 1.00 0.42 C ATOM 158 C VAL A 46 -7.190 -7.681 1.649 1.00 0.38 C ATOM 159 O VAL A 46 -6.277 -8.319 2.171 1.00 0.41 O ATOM 160 CB VAL A 46 -6.279 -5.854 0.189 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.870 -6.062 0.719 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.242 -5.277 -1.216 1.00 1.10 C ATOM 0 H VAL A 46 -8.748 -6.035 -0.341 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.553 -7.915 -0.394 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.783 -5.142 0.843 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.328 -5.116 0.693 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.917 -6.425 1.746 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.352 -6.794 0.099 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.674 -4.347 -1.212 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.766 -5.990 -1.890 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -7.259 -5.080 -1.555 1.00 1.10 H new ATOM 172 N GLY A 47 -8.343 -7.433 2.261 1.00 0.40 N ATOM 173 CA GLY A 47 -8.525 -7.729 3.673 1.00 0.47 C ATOM 174 C GLY A 47 -8.654 -9.211 3.968 1.00 0.49 C ATOM 175 O GLY A 47 -8.576 -9.622 5.126 1.00 0.59 O ATOM 0 H GLY A 47 -9.160 -7.030 1.802 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.680 -7.327 4.232 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.417 -7.216 4.032 1.00 0.47 H new ATOM 179 N LYS A 48 -8.832 -10.016 2.928 1.00 0.49 N ATOM 180 CA LYS A 48 -9.034 -11.451 3.108 1.00 0.61 C ATOM 181 C LYS A 48 -7.711 -12.163 3.396 1.00 0.60 C ATOM 182 O LYS A 48 -7.701 -13.268 3.932 1.00 0.73 O ATOM 183 CB LYS A 48 -9.718 -12.070 1.882 1.00 0.72 C ATOM 184 CG LYS A 48 -8.912 -11.969 0.599 1.00 0.74 C ATOM 185 CD LYS A 48 -9.672 -12.555 -0.581 1.00 0.96 C ATOM 186 CE LYS A 48 -9.894 -14.055 -0.428 1.00 1.82 C ATOM 187 NZ LYS A 48 -10.697 -14.611 -1.548 1.00 2.46 N ATOM 0 H LYS A 48 -8.841 -9.704 1.957 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.688 -11.585 3.970 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.923 -13.121 2.087 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.681 -11.581 1.732 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.674 -10.924 0.398 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -7.964 -12.494 0.720 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -10.635 -12.054 -0.677 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.119 -12.362 -1.500 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -8.930 -14.563 -0.385 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -10.401 -14.253 0.516 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -10.827 -15.633 -1.408 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.626 -14.145 -1.574 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -10.201 -14.445 -2.447 1.00 2.46 H new ATOM 201 N ASP A 49 -6.599 -11.523 3.053 1.00 0.48 N ATOM 202 CA ASP A 49 -5.282 -12.118 3.287 1.00 0.50 C ATOM 203 C ASP A 49 -4.494 -11.245 4.260 1.00 0.44 C ATOM 204 O ASP A 49 -3.264 -11.168 4.216 1.00 0.45 O ATOM 205 CB ASP A 49 -4.531 -12.265 1.953 1.00 0.60 C ATOM 206 CG ASP A 49 -3.270 -13.112 2.054 1.00 1.16 C ATOM 207 OD1 ASP A 49 -3.172 -13.942 2.985 1.00 1.52 O ATOM 208 OD2 ASP A 49 -2.373 -12.946 1.194 1.00 1.66 O ATOM 0 H ASP A 49 -6.579 -10.601 2.616 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.400 -13.109 3.725 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -5.200 -12.710 1.216 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -4.265 -11.274 1.584 1.00 0.60 H new ATOM 213 N LYS A 50 -5.212 -10.634 5.195 1.00 0.43 N ATOM 214 CA LYS A 50 -4.580 -9.764 6.181 1.00 0.49 C ATOM 215 C LYS A 50 -3.708 -10.532 7.177 1.00 0.45 C ATOM 216 O LYS A 50 -2.637 -10.051 7.510 1.00 0.45 O ATOM 217 CB LYS A 50 -5.593 -8.908 6.941 1.00 0.70 C ATOM 218 CG LYS A 50 -6.100 -7.711 6.152 1.00 0.72 C ATOM 219 CD LYS A 50 -6.627 -6.628 7.078 1.00 0.90 C ATOM 220 CE LYS A 50 -5.499 -5.960 7.847 1.00 1.01 C ATOM 221 NZ LYS A 50 -6.005 -5.101 8.946 1.00 1.15 N ATOM 0 H LYS A 50 -6.223 -10.723 5.292 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.935 -9.104 5.602 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.442 -9.531 7.223 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.135 -8.555 7.865 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -5.294 -7.308 5.538 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.890 -8.028 5.472 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -7.166 -5.880 6.496 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -7.340 -7.062 7.779 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -4.840 -6.724 8.259 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -4.901 -5.358 7.163 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -5.610 -4.144 8.848 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -7.043 -5.054 8.900 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -5.717 -5.503 9.861 1.00 1.15 H new ATOM 235 N PRO A 51 -4.142 -11.711 7.694 1.00 0.49 N ATOM 236 CA PRO A 51 -3.315 -12.521 8.597 1.00 0.58 C ATOM 237 C PRO A 51 -1.864 -12.639 8.124 1.00 0.46 C ATOM 238 O PRO A 51 -0.931 -12.532 8.919 1.00 0.47 O ATOM 239 CB PRO A 51 -4.004 -13.884 8.566 1.00 0.69 C ATOM 240 CG PRO A 51 -5.439 -13.565 8.346 1.00 0.75 C ATOM 241 CD PRO A 51 -5.467 -12.334 7.479 1.00 0.55 C ATOM 0 HA PRO A 51 -3.245 -12.081 9.592 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.609 -14.511 7.767 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -3.856 -14.426 9.500 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -5.952 -14.395 7.860 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.948 -13.386 9.293 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.623 -12.588 6.431 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -6.275 -11.662 7.767 1.00 0.55 H new ATOM 249 N THR A 52 -1.685 -12.824 6.820 1.00 0.38 N ATOM 250 CA THR A 52 -0.356 -12.967 6.247 1.00 0.36 C ATOM 251 C THR A 52 0.407 -11.641 6.284 1.00 0.26 C ATOM 252 O THR A 52 1.573 -11.591 6.696 1.00 0.28 O ATOM 253 CB THR A 52 -0.453 -13.463 4.794 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.344 -14.582 4.735 1.00 0.68 O ATOM 255 CG2 THR A 52 0.913 -13.871 4.263 1.00 0.66 C ATOM 0 H THR A 52 -2.445 -12.878 6.142 1.00 0.38 H new ATOM 0 HA THR A 52 0.188 -13.698 6.846 1.00 0.36 H new ATOM 0 HB THR A 52 -0.831 -12.650 4.174 1.00 0.42 H new ATOM 0 HG1 THR A 52 -2.154 -14.330 4.244 1.00 0.68 H new ATOM 0 HG21 THR A 52 0.815 -14.217 3.234 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.586 -13.014 4.295 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.318 -14.674 4.879 1.00 0.66 H new ATOM 263 N TYR A 53 -0.262 -10.559 5.893 1.00 0.22 N ATOM 264 CA TYR A 53 0.384 -9.250 5.825 1.00 0.23 C ATOM 265 C TYR A 53 0.593 -8.684 7.220 1.00 0.23 C ATOM 266 O TYR A 53 1.471 -7.857 7.433 1.00 0.24 O ATOM 267 CB TYR A 53 -0.452 -8.277 4.983 1.00 0.33 C ATOM 268 CG TYR A 53 -0.902 -8.859 3.661 1.00 0.39 C ATOM 269 CD1 TYR A 53 -0.089 -9.736 2.954 1.00 0.41 C ATOM 270 CD2 TYR A 53 -2.149 -8.549 3.133 1.00 0.53 C ATOM 271 CE1 TYR A 53 -0.506 -10.285 1.762 1.00 0.49 C ATOM 272 CE2 TYR A 53 -2.567 -9.092 1.934 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.742 -9.964 1.258 1.00 0.57 C ATOM 274 OH TYR A 53 -2.161 -10.530 0.080 1.00 0.69 O ATOM 0 H TYR A 53 -1.245 -10.562 5.620 1.00 0.22 H new ATOM 0 HA TYR A 53 1.356 -9.377 5.349 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -1.329 -7.974 5.555 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.133 -7.376 4.795 1.00 0.33 H new ATOM 0 HD1 TYR A 53 0.885 -9.991 3.345 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.801 -7.874 3.668 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.137 -10.966 1.225 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -3.534 -8.835 1.529 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.429 -11.459 0.240 1.00 0.69 H new ATOM 284 N ASP A 54 -0.190 -9.172 8.167 1.00 0.28 N ATOM 285 CA ASP A 54 -0.078 -8.758 9.560 1.00 0.35 C ATOM 286 C ASP A 54 1.135 -9.429 10.177 1.00 0.33 C ATOM 287 O ASP A 54 1.887 -8.821 10.939 1.00 0.35 O ATOM 288 CB ASP A 54 -1.354 -9.134 10.329 1.00 0.51 C ATOM 289 CG ASP A 54 -1.332 -8.695 11.783 1.00 1.35 C ATOM 290 OD1 ASP A 54 -1.679 -7.530 12.062 1.00 1.83 O ATOM 291 OD2 ASP A 54 -0.994 -9.525 12.655 1.00 2.18 O ATOM 0 H ASP A 54 -0.920 -9.864 7.996 1.00 0.28 H new ATOM 0 HA ASP A 54 0.042 -7.676 9.614 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -2.214 -8.683 9.834 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.491 -10.214 10.285 1.00 0.51 H new ATOM 296 N GLU A 55 1.329 -10.690 9.815 1.00 0.35 N ATOM 297 CA GLU A 55 2.500 -11.437 10.239 1.00 0.43 C ATOM 298 C GLU A 55 3.771 -10.731 9.778 1.00 0.38 C ATOM 299 O GLU A 55 4.696 -10.509 10.560 1.00 0.46 O ATOM 300 CB GLU A 55 2.441 -12.865 9.689 1.00 0.54 C ATOM 301 CG GLU A 55 3.586 -13.751 10.145 1.00 1.31 C ATOM 302 CD GLU A 55 3.489 -15.155 9.586 1.00 1.54 C ATOM 303 OE1 GLU A 55 3.907 -15.366 8.433 1.00 2.33 O ATOM 304 OE2 GLU A 55 2.990 -16.053 10.298 1.00 1.65 O ATOM 0 H GLU A 55 0.685 -11.217 9.225 1.00 0.35 H new ATOM 0 HA GLU A 55 2.513 -11.488 11.328 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.499 -13.322 9.993 1.00 0.54 H new ATOM 0 HB3 GLU A 55 2.439 -12.824 8.600 1.00 0.54 H new ATOM 0 HG2 GLU A 55 4.532 -13.305 9.837 1.00 1.31 H new ATOM 0 HG3 GLU A 55 3.595 -13.796 11.234 1.00 1.31 H new ATOM 311 N ILE A 56 3.787 -10.349 8.508 1.00 0.32 N ATOM 312 CA ILE A 56 4.928 -9.657 7.922 1.00 0.35 C ATOM 313 C ILE A 56 5.099 -8.258 8.519 1.00 0.32 C ATOM 314 O ILE A 56 6.174 -7.910 9.007 1.00 0.45 O ATOM 315 CB ILE A 56 4.758 -9.559 6.393 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.603 -10.962 5.808 1.00 0.45 C ATOM 317 CG2 ILE A 56 5.943 -8.846 5.763 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.022 -10.979 4.417 1.00 0.64 C ATOM 0 H ILE A 56 3.016 -10.508 7.859 1.00 0.32 H new ATOM 0 HA ILE A 56 5.824 -10.234 8.151 1.00 0.35 H new ATOM 0 HB ILE A 56 3.863 -8.977 6.172 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.578 -11.448 5.791 1.00 0.45 H new ATOM 0 HG13 ILE A 56 3.965 -11.552 6.466 1.00 0.45 H new ATOM 0 HG21 ILE A 56 5.801 -8.789 4.684 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.022 -7.839 6.173 1.00 0.45 H new ATOM 0 HG23 ILE A 56 6.857 -9.398 5.980 1.00 0.45 H new ATOM 0 HD11 ILE A 56 3.942 -12.009 4.069 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.032 -10.523 4.431 1.00 0.64 H new ATOM 0 HD13 ILE A 56 4.671 -10.418 3.745 1.00 0.64 H new ATOM 330 N PHE A 57 4.026 -7.479 8.508 1.00 0.20 N ATOM 331 CA PHE A 57 4.046 -6.092 8.977 1.00 0.19 C ATOM 332 C PHE A 57 4.558 -5.980 10.412 1.00 0.16 C ATOM 333 O PHE A 57 5.217 -5.005 10.770 1.00 0.15 O ATOM 334 CB PHE A 57 2.627 -5.516 8.866 1.00 0.21 C ATOM 335 CG PHE A 57 2.487 -4.061 9.214 1.00 0.21 C ATOM 336 CD1 PHE A 57 3.008 -3.087 8.382 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.861 -3.669 10.383 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.908 -1.750 8.708 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.754 -2.333 10.714 1.00 0.25 C ATOM 340 CZ PHE A 57 2.179 -1.373 9.838 1.00 0.27 C ATOM 0 H PHE A 57 3.113 -7.788 8.174 1.00 0.20 H new ATOM 0 HA PHE A 57 4.734 -5.522 8.353 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.274 -5.662 7.845 1.00 0.21 H new ATOM 0 HB3 PHE A 57 1.969 -6.092 9.517 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.500 -3.377 7.465 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.451 -4.417 11.045 1.00 0.22 H new ATOM 0 HE1 PHE A 57 3.389 -1.002 8.095 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.334 -2.046 11.667 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.953 -0.332 10.018 1.00 0.27 H new ATOM 350 N TYR A 58 4.283 -6.991 11.224 1.00 0.19 N ATOM 351 CA TYR A 58 4.656 -6.953 12.631 1.00 0.22 C ATOM 352 C TYR A 58 6.063 -7.497 12.860 1.00 0.26 C ATOM 353 O TYR A 58 6.560 -7.492 13.985 1.00 0.39 O ATOM 354 CB TYR A 58 3.633 -7.711 13.485 1.00 0.26 C ATOM 355 CG TYR A 58 2.339 -6.953 13.691 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.742 -6.259 12.647 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.717 -6.927 14.931 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.567 -5.562 12.831 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.538 -6.232 15.123 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.031 -5.553 14.069 1.00 0.83 C ATOM 361 OH TYR A 58 -1.203 -4.859 14.251 1.00 1.05 O ATOM 0 H TYR A 58 3.805 -7.844 10.934 1.00 0.19 H new ATOM 0 HA TYR A 58 4.658 -5.908 12.940 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.413 -8.667 13.011 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.075 -7.931 14.457 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.207 -6.265 11.672 1.00 1.07 H new ATOM 0 HD2 TYR A 58 2.161 -7.458 15.760 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.119 -5.026 12.007 1.00 1.17 H new ATOM 0 HE2 TYR A 58 0.066 -6.222 16.094 1.00 1.17 H new ATOM 0 HH TYR A 58 -1.497 -4.952 15.181 1.00 1.05 H new ATOM 371 N THR A 59 6.717 -7.958 11.798 1.00 0.25 N ATOM 372 CA THR A 59 8.114 -8.364 11.901 1.00 0.29 C ATOM 373 C THR A 59 9.021 -7.256 11.366 1.00 0.29 C ATOM 374 O THR A 59 10.232 -7.265 11.581 1.00 0.36 O ATOM 375 CB THR A 59 8.407 -9.690 11.160 1.00 0.35 C ATOM 376 OG1 THR A 59 8.112 -9.573 9.763 1.00 0.44 O ATOM 377 CG2 THR A 59 7.607 -10.838 11.756 1.00 0.38 C ATOM 0 H THR A 59 6.309 -8.059 10.869 1.00 0.25 H new ATOM 0 HA THR A 59 8.320 -8.536 12.958 1.00 0.29 H new ATOM 0 HB THR A 59 9.469 -9.902 11.280 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.661 -8.720 9.594 1.00 0.44 H new ATOM 0 HG21 THR A 59 7.832 -11.758 11.216 1.00 0.38 H new ATOM 0 HG22 THR A 59 7.872 -10.960 12.806 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.542 -10.621 11.674 1.00 0.38 H new ATOM 385 N LEU A 60 8.410 -6.288 10.686 1.00 0.26 N ATOM 386 CA LEU A 60 9.136 -5.138 10.152 1.00 0.27 C ATOM 387 C LEU A 60 9.209 -4.018 11.184 1.00 0.30 C ATOM 388 O LEU A 60 9.686 -2.925 10.887 1.00 0.38 O ATOM 389 CB LEU A 60 8.473 -4.622 8.865 1.00 0.29 C ATOM 390 CG LEU A 60 8.960 -5.266 7.563 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.634 -6.748 7.512 1.00 1.37 C ATOM 392 CD2 LEU A 60 8.356 -4.553 6.370 1.00 1.22 C ATOM 0 H LEU A 60 7.409 -6.278 10.491 1.00 0.26 H new ATOM 0 HA LEU A 60 10.149 -5.464 9.916 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.397 -4.777 8.945 1.00 0.29 H new ATOM 0 HB3 LEU A 60 8.636 -3.546 8.800 1.00 0.29 H new ATOM 0 HG LEU A 60 10.045 -5.167 7.529 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.996 -7.168 6.573 1.00 1.37 H new ATOM 0 HD12 LEU A 60 9.117 -7.256 8.347 1.00 1.37 H new ATOM 0 HD13 LEU A 60 7.555 -6.886 7.579 1.00 1.37 H new ATOM 0 HD21 LEU A 60 8.709 -5.019 5.450 1.00 1.22 H new ATOM 0 HD22 LEU A 60 7.269 -4.621 6.417 1.00 1.22 H new ATOM 0 HD23 LEU A 60 8.655 -3.505 6.383 1.00 1.22 H new ATOM 404 N SER A 61 8.742 -4.321 12.396 1.00 0.27 N ATOM 405 CA SER A 61 8.708 -3.358 13.496 1.00 0.30 C ATOM 406 C SER A 61 7.794 -2.175 13.168 1.00 0.28 C ATOM 407 O SER A 61 8.245 -1.128 12.706 1.00 0.36 O ATOM 408 CB SER A 61 10.123 -2.881 13.842 1.00 0.41 C ATOM 409 OG SER A 61 10.943 -3.975 14.233 1.00 1.24 O ATOM 0 H SER A 61 8.377 -5.241 12.642 1.00 0.27 H new ATOM 0 HA SER A 61 8.296 -3.861 14.371 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.564 -2.380 12.980 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.078 -2.148 14.648 1.00 0.41 H new ATOM 0 HG SER A 61 11.842 -3.650 14.448 1.00 1.24 H new ATOM 415 N PRO A 62 6.484 -2.343 13.399 1.00 0.24 N ATOM 416 CA PRO A 62 5.492 -1.318 13.098 1.00 0.29 C ATOM 417 C PRO A 62 5.364 -0.274 14.202 1.00 0.32 C ATOM 418 O PRO A 62 5.341 -0.601 15.390 1.00 0.47 O ATOM 419 CB PRO A 62 4.205 -2.123 12.974 1.00 0.35 C ATOM 420 CG PRO A 62 4.386 -3.295 13.880 1.00 0.33 C ATOM 421 CD PRO A 62 5.871 -3.555 13.972 1.00 0.23 C ATOM 0 HA PRO A 62 5.752 -0.745 12.208 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.339 -1.529 13.267 1.00 0.35 H new ATOM 0 HB3 PRO A 62 4.038 -2.443 11.945 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.969 -3.089 14.866 1.00 0.33 H new ATOM 0 HG3 PRO A 62 3.865 -4.169 13.489 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.185 -3.711 15.004 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.155 -4.447 13.414 1.00 0.23 H new ATOM 429 N VAL A 63 5.273 0.982 13.806 1.00 0.29 N ATOM 430 CA VAL A 63 5.108 2.068 14.754 1.00 0.36 C ATOM 431 C VAL A 63 3.669 2.573 14.733 1.00 0.37 C ATOM 432 O VAL A 63 3.255 3.253 13.793 1.00 0.38 O ATOM 433 CB VAL A 63 6.066 3.239 14.445 1.00 0.47 C ATOM 434 CG1 VAL A 63 5.934 4.335 15.490 1.00 1.02 C ATOM 435 CG2 VAL A 63 7.505 2.752 14.358 1.00 1.02 C ATOM 0 H VAL A 63 5.311 1.276 12.830 1.00 0.29 H new ATOM 0 HA VAL A 63 5.347 1.679 15.744 1.00 0.36 H new ATOM 0 HB VAL A 63 5.788 3.656 13.477 1.00 0.47 H new ATOM 0 HG11 VAL A 63 6.618 5.149 15.252 1.00 1.02 H new ATOM 0 HG12 VAL A 63 4.911 4.711 15.496 1.00 1.02 H new ATOM 0 HG13 VAL A 63 6.178 3.932 16.473 1.00 1.02 H new ATOM 0 HG21 VAL A 63 8.162 3.594 14.140 1.00 1.02 H new ATOM 0 HG22 VAL A 63 7.795 2.303 15.308 1.00 1.02 H new ATOM 0 HG23 VAL A 63 7.591 2.010 13.564 1.00 1.02 H new ATOM 445 N ASN A 64 2.901 2.194 15.754 1.00 0.44 N ATOM 446 CA ASN A 64 1.510 2.641 15.905 1.00 0.52 C ATOM 447 C ASN A 64 0.647 2.205 14.721 1.00 0.44 C ATOM 448 O ASN A 64 -0.374 2.827 14.424 1.00 0.50 O ATOM 449 CB ASN A 64 1.447 4.168 16.072 1.00 0.64 C ATOM 450 CG ASN A 64 2.025 4.634 17.398 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.932 3.937 18.406 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.623 5.819 17.412 1.00 1.31 N ATOM 0 H ASN A 64 3.220 1.572 16.497 1.00 0.44 H new ATOM 0 HA ASN A 64 1.111 2.169 16.803 1.00 0.52 H new ATOM 0 HB2 ASN A 64 1.992 4.642 15.256 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.410 4.496 15.996 1.00 0.64 H new ATOM 0 HD21 ASN A 64 3.024 6.178 18.279 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.682 6.371 16.556 1.00 1.31 H new ATOM 459 N GLY A 65 1.047 1.126 14.061 1.00 0.40 N ATOM 460 CA GLY A 65 0.278 0.612 12.940 1.00 0.43 C ATOM 461 C GLY A 65 0.744 1.166 11.607 1.00 0.33 C ATOM 462 O GLY A 65 0.020 1.106 10.618 1.00 0.35 O ATOM 0 H GLY A 65 1.890 0.596 14.281 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.351 -0.475 12.923 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.774 0.858 13.083 1.00 0.43 H new ATOM 466 N LYS A 66 1.949 1.714 11.600 1.00 0.28 N ATOM 467 CA LYS A 66 2.572 2.253 10.389 1.00 0.26 C ATOM 468 C LYS A 66 4.068 1.933 10.376 1.00 0.23 C ATOM 469 O LYS A 66 4.743 2.081 11.395 1.00 0.27 O ATOM 470 CB LYS A 66 2.383 3.779 10.316 1.00 0.34 C ATOM 471 CG LYS A 66 0.996 4.224 9.884 1.00 0.64 C ATOM 472 CD LYS A 66 0.853 5.738 9.941 1.00 0.75 C ATOM 473 CE LYS A 66 -0.453 6.218 9.316 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.457 6.054 7.836 1.00 1.48 N ATOM 0 H LYS A 66 2.529 1.800 12.434 1.00 0.28 H new ATOM 0 HA LYS A 66 2.092 1.790 9.527 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.599 4.206 11.295 1.00 0.34 H new ATOM 0 HB3 LYS A 66 3.115 4.190 9.621 1.00 0.34 H new ATOM 0 HG2 LYS A 66 0.801 3.877 8.869 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.248 3.762 10.528 1.00 0.64 H new ATOM 0 HD2 LYS A 66 0.899 6.067 10.979 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.693 6.200 9.423 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -1.286 5.661 9.745 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -0.610 7.268 9.565 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -1.052 6.791 7.407 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 0.515 6.139 7.475 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -0.837 5.117 7.592 1.00 1.48 H new ATOM 488 N ILE A 67 4.580 1.476 9.244 1.00 0.25 N ATOM 489 CA ILE A 67 6.020 1.280 9.091 1.00 0.27 C ATOM 490 C ILE A 67 6.618 2.406 8.262 1.00 0.26 C ATOM 491 O ILE A 67 5.944 2.977 7.402 1.00 0.29 O ATOM 492 CB ILE A 67 6.383 -0.073 8.439 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.636 -0.248 7.111 1.00 0.28 C ATOM 494 CG2 ILE A 67 6.090 -1.223 9.397 1.00 0.33 C ATOM 495 CD1 ILE A 67 6.055 -1.475 6.336 1.00 0.64 C ATOM 0 H ILE A 67 4.028 1.234 8.421 1.00 0.25 H new ATOM 0 HA ILE A 67 6.437 1.281 10.098 1.00 0.27 H new ATOM 0 HB ILE A 67 7.451 -0.082 8.224 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.566 -0.303 7.311 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.800 0.635 6.493 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.352 -2.168 8.921 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.679 -1.099 10.306 1.00 0.33 H new ATOM 0 HG23 ILE A 67 5.030 -1.225 9.649 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.484 -1.532 5.409 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.118 -1.413 6.104 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.865 -2.366 6.935 1.00 0.64 H new ATOM 507 N THR A 68 7.879 2.719 8.521 1.00 0.32 N ATOM 508 CA THR A 68 8.545 3.830 7.854 1.00 0.36 C ATOM 509 C THR A 68 8.873 3.483 6.405 1.00 0.33 C ATOM 510 O THR A 68 8.829 2.313 6.009 1.00 0.33 O ATOM 511 CB THR A 68 9.847 4.221 8.586 1.00 0.45 C ATOM 512 OG1 THR A 68 10.795 3.149 8.512 1.00 0.55 O ATOM 513 CG2 THR A 68 9.572 4.550 10.047 1.00 0.50 C ATOM 0 H THR A 68 8.464 2.218 9.190 1.00 0.32 H new ATOM 0 HA THR A 68 7.856 4.674 7.874 1.00 0.36 H new ATOM 0 HB THR A 68 10.255 5.106 8.097 1.00 0.45 H new ATOM 0 HG1 THR A 68 10.522 2.428 9.117 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.505 4.822 10.540 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.873 5.384 10.107 1.00 0.50 H new ATOM 0 HG23 THR A 68 9.141 3.679 10.541 1.00 0.50 H new ATOM 521 N GLY A 69 9.219 4.499 5.626 1.00 0.37 N ATOM 522 CA GLY A 69 9.587 4.281 4.244 1.00 0.41 C ATOM 523 C GLY A 69 10.894 3.530 4.113 1.00 0.35 C ATOM 524 O GLY A 69 11.185 2.973 3.060 1.00 0.37 O ATOM 0 H GLY A 69 9.251 5.472 5.929 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.797 3.722 3.743 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.669 5.242 3.736 1.00 0.41 H new ATOM 528 N ALA A 70 11.686 3.522 5.179 1.00 0.33 N ATOM 529 CA ALA A 70 12.930 2.763 5.199 1.00 0.33 C ATOM 530 C ALA A 70 12.638 1.272 5.338 1.00 0.31 C ATOM 531 O ALA A 70 13.272 0.432 4.698 1.00 0.34 O ATOM 532 CB ALA A 70 13.831 3.248 6.328 1.00 0.38 C ATOM 0 H ALA A 70 11.489 4.032 6.040 1.00 0.33 H new ATOM 0 HA ALA A 70 13.453 2.922 4.256 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.756 2.671 6.329 1.00 0.38 H new ATOM 0 HB2 ALA A 70 14.062 4.303 6.181 1.00 0.38 H new ATOM 0 HB3 ALA A 70 13.321 3.117 7.282 1.00 0.38 H new ATOM 538 N ASN A 71 11.654 0.955 6.163 1.00 0.33 N ATOM 539 CA ASN A 71 11.246 -0.429 6.375 1.00 0.36 C ATOM 540 C ASN A 71 10.492 -0.923 5.153 1.00 0.32 C ATOM 541 O ASN A 71 10.692 -2.049 4.689 1.00 0.32 O ATOM 542 CB ASN A 71 10.369 -0.533 7.625 1.00 0.46 C ATOM 543 CG ASN A 71 11.051 0.052 8.848 1.00 0.76 C ATOM 544 OD1 ASN A 71 10.405 0.645 9.713 1.00 1.81 O ATOM 545 ND2 ASN A 71 12.368 -0.092 8.916 1.00 0.61 N ATOM 0 H ASN A 71 11.120 1.638 6.700 1.00 0.33 H new ATOM 0 HA ASN A 71 12.129 -1.050 6.524 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.427 -0.013 7.451 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.126 -1.579 7.811 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.883 0.296 9.706 1.00 0.61 H new ATOM 0 HD22 ASN A 71 12.865 -0.590 8.178 1.00 0.61 H new ATOM 552 N ALA A 72 9.639 -0.053 4.624 1.00 0.32 N ATOM 553 CA ALA A 72 8.934 -0.325 3.382 1.00 0.33 C ATOM 554 C ALA A 72 9.926 -0.490 2.238 1.00 0.30 C ATOM 555 O ALA A 72 9.739 -1.326 1.356 1.00 0.32 O ATOM 556 CB ALA A 72 7.951 0.795 3.083 1.00 0.39 C ATOM 0 H ALA A 72 9.420 0.852 5.041 1.00 0.32 H new ATOM 0 HA ALA A 72 8.376 -1.255 3.489 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.428 0.581 2.151 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.228 0.871 3.895 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.491 1.737 2.989 1.00 0.39 H new ATOM 562 N LYS A 73 10.985 0.316 2.267 1.00 0.29 N ATOM 563 CA LYS A 73 12.072 0.195 1.305 1.00 0.30 C ATOM 564 C LYS A 73 12.630 -1.214 1.333 1.00 0.26 C ATOM 565 O LYS A 73 12.712 -1.862 0.301 1.00 0.27 O ATOM 566 CB LYS A 73 13.191 1.199 1.604 1.00 0.36 C ATOM 567 CG LYS A 73 14.355 1.139 0.624 1.00 0.47 C ATOM 568 CD LYS A 73 15.423 2.168 0.967 1.00 0.67 C ATOM 569 CE LYS A 73 15.009 3.574 0.555 1.00 0.84 C ATOM 570 NZ LYS A 73 15.058 3.755 -0.923 1.00 0.76 N ATOM 0 H LYS A 73 11.111 1.062 2.951 1.00 0.29 H new ATOM 0 HA LYS A 73 11.673 0.412 0.314 1.00 0.30 H new ATOM 0 HB2 LYS A 73 12.774 2.206 1.595 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.567 1.019 2.611 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.792 0.141 0.637 1.00 0.47 H new ATOM 0 HG3 LYS A 73 13.990 1.315 -0.388 1.00 0.47 H new ATOM 0 HD2 LYS A 73 15.617 2.146 2.039 1.00 0.67 H new ATOM 0 HD3 LYS A 73 16.356 1.903 0.469 1.00 0.67 H new ATOM 0 HE2 LYS A 73 13.999 3.775 0.912 1.00 0.84 H new ATOM 0 HE3 LYS A 73 15.666 4.301 1.032 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 14.289 4.388 -1.221 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 15.972 4.171 -1.192 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 14.947 2.832 -1.390 1.00 0.76 H new ATOM 584 N LYS A 74 12.978 -1.689 2.524 1.00 0.26 N ATOM 585 CA LYS A 74 13.540 -3.028 2.680 1.00 0.29 C ATOM 586 C LYS A 74 12.627 -4.088 2.075 1.00 0.29 C ATOM 587 O LYS A 74 13.093 -4.957 1.343 1.00 0.35 O ATOM 588 CB LYS A 74 13.785 -3.345 4.153 1.00 0.34 C ATOM 589 CG LYS A 74 14.907 -2.535 4.783 1.00 1.03 C ATOM 590 CD LYS A 74 15.084 -2.883 6.254 1.00 1.05 C ATOM 591 CE LYS A 74 16.261 -2.138 6.869 1.00 1.63 C ATOM 592 NZ LYS A 74 17.564 -2.549 6.278 1.00 1.95 N ATOM 0 H LYS A 74 12.881 -1.168 3.396 1.00 0.26 H new ATOM 0 HA LYS A 74 14.491 -3.044 2.147 1.00 0.29 H new ATOM 0 HB2 LYS A 74 12.865 -3.167 4.710 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.017 -4.405 4.252 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.838 -2.723 4.248 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.691 -1.471 4.683 1.00 1.03 H new ATOM 0 HD2 LYS A 74 14.172 -2.637 6.799 1.00 1.05 H new ATOM 0 HD3 LYS A 74 15.238 -3.957 6.358 1.00 1.05 H new ATOM 0 HE2 LYS A 74 16.123 -1.066 6.728 1.00 1.63 H new ATOM 0 HE3 LYS A 74 16.280 -2.318 7.944 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 18.342 -2.174 6.858 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 17.621 -3.587 6.252 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 17.641 -2.174 5.311 1.00 1.95 H new ATOM 606 N GLU A 75 11.333 -4.006 2.364 1.00 0.31 N ATOM 607 CA GLU A 75 10.382 -4.986 1.840 1.00 0.35 C ATOM 608 C GLU A 75 10.314 -4.918 0.312 1.00 0.32 C ATOM 609 O GLU A 75 10.438 -5.933 -0.370 1.00 0.35 O ATOM 610 CB GLU A 75 8.993 -4.767 2.443 1.00 0.41 C ATOM 611 CG GLU A 75 7.966 -5.806 2.015 1.00 0.59 C ATOM 612 CD GLU A 75 8.391 -7.224 2.355 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.735 -7.480 3.528 1.00 1.09 O ATOM 614 OE2 GLU A 75 8.359 -8.091 1.455 1.00 1.60 O ATOM 0 H GLU A 75 10.920 -3.281 2.951 1.00 0.31 H new ATOM 0 HA GLU A 75 10.732 -5.978 2.124 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.074 -4.776 3.530 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.635 -3.778 2.158 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.014 -5.590 2.499 1.00 0.59 H new ATOM 0 HG3 GLU A 75 7.802 -5.728 0.940 1.00 0.59 H new ATOM 621 N MET A 76 10.145 -3.714 -0.223 1.00 0.29 N ATOM 622 CA MET A 76 10.029 -3.526 -1.670 1.00 0.30 C ATOM 623 C MET A 76 11.340 -3.870 -2.382 1.00 0.30 C ATOM 624 O MET A 76 11.348 -4.277 -3.544 1.00 0.38 O ATOM 625 CB MET A 76 9.612 -2.086 -1.982 1.00 0.39 C ATOM 626 CG MET A 76 8.267 -1.702 -1.378 1.00 0.56 C ATOM 627 SD MET A 76 6.877 -2.589 -2.112 1.00 1.04 S ATOM 628 CE MET A 76 6.871 -1.905 -3.765 1.00 1.24 C ATOM 0 H MET A 76 10.085 -2.853 0.320 1.00 0.29 H new ATOM 0 HA MET A 76 9.261 -4.206 -2.040 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.377 -1.405 -1.609 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.567 -1.954 -3.063 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.289 -1.897 -0.306 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.113 -0.630 -1.504 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.844 -1.823 -4.121 1.00 1.24 H new ATOM 0 HE2 MET A 76 7.330 -0.917 -3.751 1.00 1.24 H new ATOM 0 HE3 MET A 76 7.435 -2.558 -4.431 1.00 1.24 H new ATOM 638 N VAL A 77 12.443 -3.709 -1.671 1.00 0.29 N ATOM 639 CA VAL A 77 13.754 -4.093 -2.173 1.00 0.35 C ATOM 640 C VAL A 77 13.876 -5.616 -2.208 1.00 0.33 C ATOM 641 O VAL A 77 14.492 -6.185 -3.111 1.00 0.37 O ATOM 642 CB VAL A 77 14.876 -3.467 -1.309 1.00 0.51 C ATOM 643 CG1 VAL A 77 16.219 -4.114 -1.576 1.00 1.57 C ATOM 644 CG2 VAL A 77 14.970 -1.972 -1.567 1.00 1.14 C ATOM 0 H VAL A 77 12.457 -3.310 -0.732 1.00 0.29 H new ATOM 0 HA VAL A 77 13.865 -3.714 -3.189 1.00 0.35 H new ATOM 0 HB VAL A 77 14.617 -3.643 -0.265 1.00 0.51 H new ATOM 0 HG11 VAL A 77 16.979 -3.646 -0.950 1.00 1.57 H new ATOM 0 HG12 VAL A 77 16.163 -5.178 -1.345 1.00 1.57 H new ATOM 0 HG13 VAL A 77 16.483 -3.984 -2.626 1.00 1.57 H new ATOM 0 HG21 VAL A 77 15.763 -1.546 -0.953 1.00 1.14 H new ATOM 0 HG22 VAL A 77 15.193 -1.798 -2.620 1.00 1.14 H new ATOM 0 HG23 VAL A 77 14.021 -1.499 -1.314 1.00 1.14 H new ATOM 654 N LYS A 78 13.250 -6.272 -1.235 1.00 0.36 N ATOM 655 CA LYS A 78 13.186 -7.732 -1.201 1.00 0.45 C ATOM 656 C LYS A 78 12.283 -8.248 -2.318 1.00 0.42 C ATOM 657 O LYS A 78 12.403 -9.394 -2.747 1.00 0.47 O ATOM 658 CB LYS A 78 12.659 -8.215 0.156 1.00 0.61 C ATOM 659 CG LYS A 78 13.595 -7.928 1.315 1.00 0.71 C ATOM 660 CD LYS A 78 14.776 -8.882 1.332 1.00 1.25 C ATOM 661 CE LYS A 78 14.348 -10.279 1.756 1.00 1.79 C ATOM 662 NZ LYS A 78 15.500 -11.212 1.840 1.00 2.79 N ATOM 0 H LYS A 78 12.777 -5.814 -0.456 1.00 0.36 H new ATOM 0 HA LYS A 78 14.193 -8.123 -1.347 1.00 0.45 H new ATOM 0 HB2 LYS A 78 11.698 -7.740 0.352 1.00 0.61 H new ATOM 0 HB3 LYS A 78 12.479 -9.289 0.104 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.957 -6.902 1.245 1.00 0.71 H new ATOM 0 HG3 LYS A 78 13.047 -8.010 2.254 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.229 -8.922 0.341 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.538 -8.509 2.016 1.00 1.25 H new ATOM 0 HE2 LYS A 78 13.852 -10.228 2.725 1.00 1.79 H new ATOM 0 HE3 LYS A 78 13.619 -10.666 1.044 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 15.165 -12.152 2.132 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 15.959 -11.282 0.909 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 16.184 -10.857 2.538 1.00 2.79 H new ATOM 676 N SER A 79 11.388 -7.383 -2.790 1.00 0.40 N ATOM 677 CA SER A 79 10.484 -7.722 -3.879 1.00 0.43 C ATOM 678 C SER A 79 11.219 -7.700 -5.218 1.00 0.38 C ATOM 679 O SER A 79 10.639 -8.032 -6.251 1.00 0.44 O ATOM 680 CB SER A 79 9.312 -6.742 -3.912 1.00 0.54 C ATOM 681 OG SER A 79 8.695 -6.641 -2.641 1.00 1.27 O ATOM 0 H SER A 79 11.272 -6.436 -2.430 1.00 0.40 H new ATOM 0 HA SER A 79 10.104 -8.729 -3.709 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.664 -5.760 -4.228 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.580 -7.071 -4.650 1.00 0.54 H new ATOM 0 HG SER A 79 9.354 -6.342 -1.980 1.00 1.27 H new ATOM 687 N LYS A 80 12.497 -7.286 -5.173 1.00 0.39 N ATOM 688 CA LYS A 80 13.402 -7.276 -6.334 1.00 0.42 C ATOM 689 C LYS A 80 12.761 -6.660 -7.584 1.00 0.35 C ATOM 690 O LYS A 80 13.085 -7.034 -8.714 1.00 0.45 O ATOM 691 CB LYS A 80 13.954 -8.695 -6.617 1.00 0.54 C ATOM 692 CG LYS A 80 12.898 -9.766 -6.863 1.00 0.85 C ATOM 693 CD LYS A 80 13.472 -11.168 -6.718 1.00 1.32 C ATOM 694 CE LYS A 80 14.438 -11.504 -7.838 1.00 2.10 C ATOM 695 NZ LYS A 80 15.006 -12.866 -7.684 1.00 2.97 N ATOM 0 H LYS A 80 12.936 -6.945 -4.318 1.00 0.39 H new ATOM 0 HA LYS A 80 14.240 -6.629 -6.075 1.00 0.42 H new ATOM 0 HB2 LYS A 80 14.608 -8.646 -7.488 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.570 -9.003 -5.772 1.00 0.54 H new ATOM 0 HG2 LYS A 80 12.076 -9.635 -6.159 1.00 0.85 H new ATOM 0 HG3 LYS A 80 12.483 -9.645 -7.864 1.00 0.85 H new ATOM 0 HD2 LYS A 80 13.984 -11.253 -5.760 1.00 1.32 H new ATOM 0 HD3 LYS A 80 12.659 -11.894 -6.710 1.00 1.32 H new ATOM 0 HE2 LYS A 80 13.924 -11.431 -8.796 1.00 2.10 H new ATOM 0 HE3 LYS A 80 15.246 -10.773 -7.853 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 15.661 -13.059 -8.468 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 15.518 -12.928 -6.781 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 14.237 -13.566 -7.695 1.00 2.97 H new ATOM 709 N LEU A 81 11.886 -5.683 -7.371 1.00 0.31 N ATOM 710 CA LEU A 81 11.261 -4.961 -8.471 1.00 0.30 C ATOM 711 C LEU A 81 12.004 -3.657 -8.730 1.00 0.30 C ATOM 712 O LEU A 81 12.591 -3.088 -7.811 1.00 0.41 O ATOM 713 CB LEU A 81 9.792 -4.667 -8.156 1.00 0.37 C ATOM 714 CG LEU A 81 8.888 -5.896 -8.017 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.462 -5.473 -7.707 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.930 -6.741 -9.282 1.00 0.47 C ATOM 0 H LEU A 81 11.594 -5.373 -6.444 1.00 0.31 H new ATOM 0 HA LEU A 81 11.309 -5.585 -9.364 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.745 -4.096 -7.229 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.390 -4.029 -8.944 1.00 0.37 H new ATOM 0 HG LEU A 81 9.258 -6.502 -7.190 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.833 -6.358 -7.611 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.444 -4.912 -6.773 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.085 -4.845 -8.514 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.281 -7.609 -9.162 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.587 -6.146 -10.129 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.952 -7.075 -9.463 1.00 0.47 H new ATOM 728 N PRO A 82 12.007 -3.180 -9.985 1.00 0.28 N ATOM 729 CA PRO A 82 12.682 -1.929 -10.356 1.00 0.34 C ATOM 730 C PRO A 82 12.205 -0.741 -9.520 1.00 0.33 C ATOM 731 O PRO A 82 11.027 -0.660 -9.162 1.00 0.27 O ATOM 732 CB PRO A 82 12.300 -1.735 -11.826 1.00 0.43 C ATOM 733 CG PRO A 82 11.964 -3.102 -12.315 1.00 0.44 C ATOM 734 CD PRO A 82 11.356 -3.821 -11.143 1.00 0.37 C ATOM 0 HA PRO A 82 13.757 -1.984 -10.187 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.451 -1.059 -11.928 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.123 -1.302 -12.395 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.266 -3.057 -13.151 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.855 -3.619 -12.671 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.273 -3.702 -11.114 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.558 -4.892 -11.178 1.00 0.37 H new ATOM 742 N ASN A 83 13.121 0.184 -9.229 1.00 0.44 N ATOM 743 CA ASN A 83 12.819 1.344 -8.382 1.00 0.49 C ATOM 744 C ASN A 83 11.629 2.136 -8.914 1.00 0.42 C ATOM 745 O ASN A 83 10.777 2.587 -8.147 1.00 0.41 O ATOM 746 CB ASN A 83 14.031 2.279 -8.261 1.00 0.64 C ATOM 747 CG ASN A 83 14.524 2.806 -9.598 1.00 1.05 C ATOM 748 OD1 ASN A 83 14.464 2.120 -10.621 1.00 1.85 O ATOM 749 ND2 ASN A 83 14.999 4.037 -9.602 1.00 1.79 N ATOM 0 H ASN A 83 14.083 0.154 -9.568 1.00 0.44 H new ATOM 0 HA ASN A 83 12.569 0.951 -7.397 1.00 0.49 H new ATOM 0 HB2 ASN A 83 13.768 3.122 -7.622 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.844 1.746 -7.767 1.00 0.64 H new ATOM 0 HD21 ASN A 83 15.333 4.452 -10.472 1.00 1.79 H new ATOM 0 HD22 ASN A 83 15.033 4.574 -8.735 1.00 1.79 H new ATOM 756 N THR A 84 11.591 2.308 -10.226 1.00 0.43 N ATOM 757 CA THR A 84 10.501 2.998 -10.884 1.00 0.45 C ATOM 758 C THR A 84 9.156 2.359 -10.521 1.00 0.35 C ATOM 759 O THR A 84 8.196 3.049 -10.174 1.00 0.34 O ATOM 760 CB THR A 84 10.700 2.947 -12.403 1.00 0.59 C ATOM 761 OG1 THR A 84 12.057 3.286 -12.727 1.00 1.47 O ATOM 762 CG2 THR A 84 9.750 3.894 -13.117 1.00 1.27 C ATOM 0 H THR A 84 12.315 1.972 -10.861 1.00 0.43 H new ATOM 0 HA THR A 84 10.495 4.035 -10.549 1.00 0.45 H new ATOM 0 HB THR A 84 10.484 1.933 -12.739 1.00 0.59 H new ATOM 0 HG1 THR A 84 12.180 3.250 -13.699 1.00 1.47 H new ATOM 0 HG21 THR A 84 9.917 3.834 -14.193 1.00 1.27 H new ATOM 0 HG22 THR A 84 8.721 3.614 -12.893 1.00 1.27 H new ATOM 0 HG23 THR A 84 9.930 4.914 -12.778 1.00 1.27 H new ATOM 770 N VAL A 85 9.110 1.029 -10.576 1.00 0.32 N ATOM 771 CA VAL A 85 7.896 0.285 -10.261 1.00 0.32 C ATOM 772 C VAL A 85 7.614 0.313 -8.760 1.00 0.26 C ATOM 773 O VAL A 85 6.458 0.313 -8.337 1.00 0.31 O ATOM 774 CB VAL A 85 7.991 -1.173 -10.766 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.787 -1.994 -10.326 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.118 -1.192 -12.282 1.00 0.45 C ATOM 0 H VAL A 85 9.904 0.444 -10.837 1.00 0.32 H new ATOM 0 HA VAL A 85 7.066 0.770 -10.776 1.00 0.32 H new ATOM 0 HB VAL A 85 8.880 -1.625 -10.326 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.886 -3.014 -10.698 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.735 -2.008 -9.237 1.00 0.44 H new ATOM 0 HG13 VAL A 85 5.877 -1.548 -10.727 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.184 -2.223 -12.629 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.244 -0.715 -12.726 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.017 -0.651 -12.579 1.00 0.45 H new ATOM 786 N LEU A 86 8.672 0.356 -7.959 1.00 0.24 N ATOM 787 CA LEU A 86 8.524 0.475 -6.511 1.00 0.28 C ATOM 788 C LEU A 86 7.822 1.784 -6.162 1.00 0.24 C ATOM 789 O LEU A 86 6.922 1.811 -5.322 1.00 0.28 O ATOM 790 CB LEU A 86 9.886 0.414 -5.813 1.00 0.37 C ATOM 791 CG LEU A 86 10.703 -0.855 -6.064 1.00 0.51 C ATOM 792 CD1 LEU A 86 12.013 -0.805 -5.293 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.911 -2.093 -5.682 1.00 0.82 C ATOM 0 H LEU A 86 9.638 0.311 -8.284 1.00 0.24 H new ATOM 0 HA LEU A 86 7.921 -0.363 -6.162 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.476 1.273 -6.132 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.729 0.516 -4.739 1.00 0.37 H new ATOM 0 HG LEU A 86 10.927 -0.909 -7.129 1.00 0.51 H new ATOM 0 HD11 LEU A 86 12.582 -1.715 -5.483 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.593 0.059 -5.617 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.804 -0.723 -4.226 1.00 0.90 H new ATOM 0 HD21 LEU A 86 10.513 -2.982 -5.870 1.00 0.82 H new ATOM 0 HD22 LEU A 86 9.651 -2.047 -4.624 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.999 -2.140 -6.278 1.00 0.82 H new ATOM 805 N GLY A 87 8.234 2.860 -6.827 1.00 0.23 N ATOM 806 CA GLY A 87 7.616 4.156 -6.614 1.00 0.26 C ATOM 807 C GLY A 87 6.186 4.174 -7.099 1.00 0.27 C ATOM 808 O GLY A 87 5.326 4.835 -6.512 1.00 0.32 O ATOM 0 H GLY A 87 8.989 2.856 -7.513 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.644 4.404 -5.553 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.188 4.923 -7.136 1.00 0.26 H new ATOM 812 N LYS A 88 5.938 3.436 -8.175 1.00 0.27 N ATOM 813 CA LYS A 88 4.591 3.251 -8.689 1.00 0.36 C ATOM 814 C LYS A 88 3.701 2.639 -7.617 1.00 0.33 C ATOM 815 O LYS A 88 2.707 3.234 -7.205 1.00 0.35 O ATOM 816 CB LYS A 88 4.615 2.342 -9.917 1.00 0.50 C ATOM 817 CG LYS A 88 5.215 2.989 -11.148 1.00 0.74 C ATOM 818 CD LYS A 88 4.211 3.883 -11.847 1.00 1.03 C ATOM 819 CE LYS A 88 4.843 4.605 -13.018 1.00 1.50 C ATOM 820 NZ LYS A 88 5.737 5.708 -12.572 1.00 1.89 N ATOM 0 H LYS A 88 6.660 2.954 -8.710 1.00 0.27 H new ATOM 0 HA LYS A 88 4.191 4.224 -8.974 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.181 1.442 -9.679 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.596 2.027 -10.144 1.00 0.50 H new ATOM 0 HG2 LYS A 88 6.090 3.574 -10.864 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.558 2.217 -11.836 1.00 0.74 H new ATOM 0 HD2 LYS A 88 3.369 3.285 -12.196 1.00 1.03 H new ATOM 0 HD3 LYS A 88 3.813 4.611 -11.139 1.00 1.03 H new ATOM 0 HE2 LYS A 88 5.413 3.895 -13.617 1.00 1.50 H new ATOM 0 HE3 LYS A 88 4.061 5.009 -13.661 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 6.070 6.242 -13.400 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 5.213 6.344 -11.938 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 6.554 5.310 -12.066 1.00 1.89 H new ATOM 834 N ILE A 89 4.096 1.465 -7.141 1.00 0.34 N ATOM 835 CA ILE A 89 3.314 0.739 -6.152 1.00 0.38 C ATOM 836 C ILE A 89 3.192 1.539 -4.860 1.00 0.30 C ATOM 837 O ILE A 89 2.148 1.504 -4.213 1.00 0.31 O ATOM 838 CB ILE A 89 3.914 -0.659 -5.869 1.00 0.49 C ATOM 839 CG1 ILE A 89 3.910 -1.492 -7.154 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.140 -1.368 -4.766 1.00 0.55 C ATOM 841 CD1 ILE A 89 4.436 -2.901 -6.981 1.00 0.71 C ATOM 0 H ILE A 89 4.956 0.995 -7.426 1.00 0.34 H new ATOM 0 HA ILE A 89 2.316 0.597 -6.566 1.00 0.38 H new ATOM 0 HB ILE A 89 4.942 -0.538 -5.528 1.00 0.49 H new ATOM 0 HG12 ILE A 89 2.891 -1.541 -7.539 1.00 0.59 H new ATOM 0 HG13 ILE A 89 4.511 -0.982 -7.907 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.580 -2.349 -4.585 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.184 -0.776 -3.852 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.100 -1.488 -5.070 1.00 0.55 H new ATOM 0 HD11 ILE A 89 4.399 -3.423 -7.937 1.00 0.71 H new ATOM 0 HD12 ILE A 89 5.466 -2.864 -6.627 1.00 0.71 H new ATOM 0 HD13 ILE A 89 3.822 -3.432 -6.254 1.00 0.71 H new ATOM 853 N TRP A 90 4.240 2.278 -4.496 1.00 0.27 N ATOM 854 CA TRP A 90 4.167 3.149 -3.332 1.00 0.23 C ATOM 855 C TRP A 90 3.030 4.153 -3.493 1.00 0.26 C ATOM 856 O TRP A 90 2.209 4.313 -2.601 1.00 0.29 O ATOM 857 CB TRP A 90 5.483 3.899 -3.113 1.00 0.25 C ATOM 858 CG TRP A 90 5.434 4.830 -1.934 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.034 6.138 -1.934 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.777 4.517 -0.579 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.106 6.654 -0.664 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.558 5.679 0.186 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.247 3.372 0.057 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.791 5.719 1.556 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.479 3.411 1.415 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.253 4.579 2.153 1.00 0.33 C ATOM 0 H TRP A 90 5.135 2.289 -4.984 1.00 0.27 H new ATOM 0 HA TRP A 90 3.979 2.521 -2.461 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.287 3.178 -2.967 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.725 4.469 -4.010 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.709 6.685 -2.806 1.00 0.29 H new ATOM 0 HE1 TRP A 90 4.863 7.608 -0.397 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.427 2.467 -0.505 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.614 6.618 2.128 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.841 2.526 1.918 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.448 4.580 3.215 1.00 0.33 H new ATOM 877 N LYS A 91 2.983 4.808 -4.646 1.00 0.30 N ATOM 878 CA LYS A 91 1.981 5.833 -4.911 1.00 0.41 C ATOM 879 C LYS A 91 0.564 5.262 -4.870 1.00 0.41 C ATOM 880 O LYS A 91 -0.354 5.903 -4.362 1.00 0.47 O ATOM 881 CB LYS A 91 2.252 6.497 -6.263 1.00 0.58 C ATOM 882 CG LYS A 91 1.161 7.457 -6.705 1.00 0.90 C ATOM 883 CD LYS A 91 1.638 8.345 -7.835 1.00 1.49 C ATOM 884 CE LYS A 91 2.586 9.425 -7.333 1.00 2.16 C ATOM 885 NZ LYS A 91 1.896 10.399 -6.439 1.00 2.70 N ATOM 0 H LYS A 91 3.631 4.646 -5.417 1.00 0.30 H new ATOM 0 HA LYS A 91 2.054 6.583 -4.124 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.198 7.037 -6.209 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.370 5.722 -7.021 1.00 0.58 H new ATOM 0 HG2 LYS A 91 0.285 6.893 -7.027 1.00 0.90 H new ATOM 0 HG3 LYS A 91 0.851 8.073 -5.861 1.00 0.90 H new ATOM 0 HD2 LYS A 91 2.141 7.739 -8.588 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.780 8.810 -8.321 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.413 8.961 -6.795 1.00 2.16 H new ATOM 0 HE3 LYS A 91 3.016 9.954 -8.183 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 2.458 11.272 -6.378 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 0.956 10.619 -6.825 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 1.793 9.986 -5.490 1.00 2.70 H new ATOM 899 N LEU A 92 0.391 4.061 -5.410 1.00 0.40 N ATOM 900 CA LEU A 92 -0.914 3.422 -5.445 1.00 0.47 C ATOM 901 C LEU A 92 -1.302 2.841 -4.082 1.00 0.46 C ATOM 902 O LEU A 92 -2.486 2.675 -3.789 1.00 0.61 O ATOM 903 CB LEU A 92 -0.935 2.321 -6.509 1.00 0.54 C ATOM 904 CG LEU A 92 -1.107 2.792 -7.962 1.00 0.97 C ATOM 905 CD1 LEU A 92 -2.441 3.493 -8.156 1.00 1.51 C ATOM 906 CD2 LEU A 92 0.019 3.711 -8.395 1.00 1.66 C ATOM 0 H LEU A 92 1.141 3.512 -5.830 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.647 4.187 -5.700 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.005 1.757 -6.438 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -1.745 1.631 -6.273 1.00 0.54 H new ATOM 0 HG LEU A 92 -1.079 1.899 -8.586 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -2.535 3.815 -9.193 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -3.252 2.806 -7.915 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -2.494 4.362 -7.500 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -0.141 4.021 -9.428 1.00 1.66 H new ATOM 0 HD22 LEU A 92 0.039 4.590 -7.751 1.00 1.66 H new ATOM 0 HD23 LEU A 92 0.970 3.183 -8.318 1.00 1.66 H new ATOM 918 N ALA A 93 -0.313 2.532 -3.255 1.00 0.37 N ATOM 919 CA ALA A 93 -0.574 1.939 -1.949 1.00 0.42 C ATOM 920 C ALA A 93 -0.675 3.002 -0.859 1.00 0.38 C ATOM 921 O ALA A 93 -1.541 2.928 0.010 1.00 0.43 O ATOM 922 CB ALA A 93 0.507 0.930 -1.603 1.00 0.47 C ATOM 0 H ALA A 93 0.674 2.681 -3.463 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.535 1.427 -2.003 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.299 0.495 -0.625 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.523 0.141 -2.355 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.476 1.428 -1.580 1.00 0.47 H new ATOM 928 N ASP A 94 0.220 3.983 -0.908 1.00 0.33 N ATOM 929 CA ASP A 94 0.229 5.064 0.069 1.00 0.35 C ATOM 930 C ASP A 94 -0.786 6.121 -0.335 1.00 0.32 C ATOM 931 O ASP A 94 -0.469 7.084 -1.038 1.00 0.37 O ATOM 932 CB ASP A 94 1.633 5.675 0.202 1.00 0.37 C ATOM 933 CG ASP A 94 1.750 6.647 1.364 1.00 0.45 C ATOM 934 OD1 ASP A 94 1.075 6.429 2.397 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.530 7.618 1.270 1.00 0.79 O ATOM 0 H ASP A 94 0.950 4.051 -1.617 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.046 4.661 1.044 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.361 4.874 0.331 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.888 6.191 -0.724 1.00 0.37 H new ATOM 940 N VAL A 95 -2.017 5.915 0.101 1.00 0.35 N ATOM 941 CA VAL A 95 -3.130 6.761 -0.295 1.00 0.42 C ATOM 942 C VAL A 95 -3.153 8.042 0.529 1.00 0.50 C ATOM 943 O VAL A 95 -3.508 9.109 0.020 1.00 0.61 O ATOM 944 CB VAL A 95 -4.482 6.026 -0.141 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.643 6.889 -0.628 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.458 4.701 -0.883 1.00 0.51 C ATOM 0 H VAL A 95 -2.273 5.160 0.737 1.00 0.35 H new ATOM 0 HA VAL A 95 -2.988 7.010 -1.347 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.633 5.829 0.920 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.578 6.343 -0.506 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.681 7.809 -0.045 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.499 7.132 -1.681 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.418 4.199 -0.763 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.273 4.880 -1.942 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.666 4.071 -0.478 1.00 0.51 H new ATOM 956 N ASP A 96 -2.762 7.940 1.794 1.00 0.49 N ATOM 957 CA ASP A 96 -2.759 9.102 2.679 1.00 0.59 C ATOM 958 C ASP A 96 -1.495 9.923 2.474 1.00 0.53 C ATOM 959 O ASP A 96 -1.421 11.075 2.909 1.00 0.67 O ATOM 960 CB ASP A 96 -2.923 8.689 4.159 1.00 0.66 C ATOM 961 CG ASP A 96 -1.782 7.835 4.697 1.00 0.64 C ATOM 962 OD1 ASP A 96 -0.941 7.373 3.900 1.00 0.56 O ATOM 963 OD2 ASP A 96 -1.731 7.599 5.922 1.00 0.96 O ATOM 0 H ASP A 96 -2.445 7.073 2.228 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.617 9.723 2.421 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.008 9.589 4.769 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -3.858 8.139 4.270 1.00 0.66 H new ATOM 968 N LYS A 97 -0.519 9.325 1.786 1.00 0.40 N ATOM 969 CA LYS A 97 0.700 10.023 1.387 1.00 0.43 C ATOM 970 C LYS A 97 1.423 10.588 2.603 1.00 0.37 C ATOM 971 O LYS A 97 1.716 11.782 2.670 1.00 0.54 O ATOM 972 CB LYS A 97 0.355 11.139 0.402 1.00 0.65 C ATOM 973 CG LYS A 97 -0.378 10.639 -0.832 1.00 0.87 C ATOM 974 CD LYS A 97 -0.918 11.789 -1.661 1.00 1.21 C ATOM 975 CE LYS A 97 -2.042 12.521 -0.947 1.00 2.08 C ATOM 976 NZ LYS A 97 -3.260 11.674 -0.814 1.00 2.96 N ATOM 0 H LYS A 97 -0.553 8.349 1.492 1.00 0.40 H new ATOM 0 HA LYS A 97 1.368 9.312 0.900 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.261 11.883 0.907 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.273 11.640 0.094 1.00 0.65 H new ATOM 0 HG2 LYS A 97 0.298 10.037 -1.439 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.199 9.989 -0.530 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -0.111 12.488 -1.881 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -1.281 11.409 -2.616 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -1.704 12.829 0.043 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -2.290 13.430 -1.496 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -4.003 12.210 -0.322 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -3.598 11.401 -1.759 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -3.030 10.819 -0.268 1.00 2.96 H new ATOM 990 N ASP A 98 1.707 9.714 3.557 1.00 0.36 N ATOM 991 CA ASP A 98 2.294 10.121 4.825 1.00 0.37 C ATOM 992 C ASP A 98 3.738 9.641 4.935 1.00 0.36 C ATOM 993 O ASP A 98 4.364 9.770 5.983 1.00 0.41 O ATOM 994 CB ASP A 98 1.461 9.550 5.985 1.00 0.42 C ATOM 995 CG ASP A 98 1.498 8.029 6.060 1.00 0.35 C ATOM 996 OD1 ASP A 98 1.314 7.362 5.016 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.681 7.487 7.165 1.00 0.43 O ATOM 0 H ASP A 98 1.539 8.711 3.476 1.00 0.36 H new ATOM 0 HA ASP A 98 2.292 11.210 4.876 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.828 9.962 6.925 1.00 0.42 H new ATOM 0 HB3 ASP A 98 0.427 9.877 5.876 1.00 0.42 H new ATOM 1002 N GLY A 99 4.271 9.114 3.837 1.00 0.35 N ATOM 1003 CA GLY A 99 5.642 8.633 3.837 1.00 0.41 C ATOM 1004 C GLY A 99 5.806 7.355 4.633 1.00 0.41 C ATOM 1005 O GLY A 99 6.924 6.880 4.844 1.00 0.44 O ATOM 0 H GLY A 99 3.780 9.011 2.949 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.964 8.462 2.810 1.00 0.41 H new ATOM 0 HA3 GLY A 99 6.294 9.402 4.251 1.00 0.41 H new ATOM 1009 N LEU A 100 4.687 6.804 5.070 1.00 0.46 N ATOM 1010 CA LEU A 100 4.676 5.557 5.813 1.00 0.48 C ATOM 1011 C LEU A 100 3.580 4.657 5.276 1.00 0.38 C ATOM 1012 O LEU A 100 2.603 5.128 4.689 1.00 0.40 O ATOM 1013 CB LEU A 100 4.452 5.798 7.310 1.00 0.61 C ATOM 1014 CG LEU A 100 5.634 6.405 8.064 1.00 0.60 C ATOM 1015 CD1 LEU A 100 5.496 7.914 8.172 1.00 1.11 C ATOM 1016 CD2 LEU A 100 5.759 5.765 9.437 1.00 0.88 C ATOM 0 H LEU A 100 3.762 7.208 4.920 1.00 0.46 H new ATOM 0 HA LEU A 100 5.648 5.080 5.688 1.00 0.48 H new ATOM 0 HB2 LEU A 100 3.591 6.456 7.429 1.00 0.61 H new ATOM 0 HB3 LEU A 100 4.194 4.848 7.778 1.00 0.61 H new ATOM 0 HG LEU A 100 6.546 6.201 7.503 1.00 0.60 H new ATOM 0 HD11 LEU A 100 6.351 8.320 8.713 1.00 1.11 H new ATOM 0 HD12 LEU A 100 5.460 8.348 7.173 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.579 8.158 8.707 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.604 6.204 9.967 1.00 0.88 H new ATOM 0 HD22 LEU A 100 4.845 5.939 10.004 1.00 0.88 H new ATOM 0 HD23 LEU A 100 5.918 4.692 9.325 1.00 0.88 H new ATOM 1028 N LEU A 101 3.739 3.365 5.459 1.00 0.35 N ATOM 1029 CA LEU A 101 2.714 2.425 5.067 1.00 0.31 C ATOM 1030 C LEU A 101 2.070 1.838 6.305 1.00 0.34 C ATOM 1031 O LEU A 101 2.727 1.152 7.089 1.00 0.42 O ATOM 1032 CB LEU A 101 3.296 1.320 4.184 1.00 0.33 C ATOM 1033 CG LEU A 101 3.767 1.777 2.799 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.335 0.604 2.010 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.615 2.414 2.038 1.00 0.30 C ATOM 0 H LEU A 101 4.568 2.942 5.877 1.00 0.35 H new ATOM 0 HA LEU A 101 1.957 2.949 4.484 1.00 0.31 H new ATOM 0 HB2 LEU A 101 4.138 0.865 4.705 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.542 0.543 4.057 1.00 0.33 H new ATOM 0 HG LEU A 101 4.556 2.517 2.930 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.664 0.950 1.030 1.00 0.39 H new ATOM 0 HD12 LEU A 101 5.183 0.180 2.548 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.566 -0.158 1.887 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.961 2.735 1.056 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.811 1.688 1.920 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.246 3.277 2.592 1.00 0.30 H new ATOM 1047 N ASP A 102 0.797 2.142 6.503 1.00 0.33 N ATOM 1048 CA ASP A 102 0.079 1.628 7.655 1.00 0.39 C ATOM 1049 C ASP A 102 -0.363 0.196 7.415 1.00 0.24 C ATOM 1050 O ASP A 102 -0.038 -0.397 6.390 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.122 2.512 8.030 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.138 2.698 6.925 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.714 1.704 6.448 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.389 3.861 6.555 1.00 0.97 O ATOM 0 H ASP A 102 0.245 2.737 5.886 1.00 0.33 H new ATOM 0 HA ASP A 102 0.768 1.645 8.499 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -1.621 2.075 8.895 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -0.754 3.491 8.335 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.098 -0.347 8.369 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.578 -1.719 8.304 1.00 0.29 C ATOM 1061 C ASP A 103 -2.366 -1.972 7.014 1.00 0.25 C ATOM 1062 O ASP A 103 -2.173 -2.987 6.340 1.00 0.28 O ATOM 1063 CB ASP A 103 -2.446 -1.976 9.538 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.417 -3.127 9.368 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -2.967 -4.294 9.430 1.00 1.60 O ATOM 1066 OD2 ASP A 103 -4.619 -2.884 9.162 1.00 1.17 O ATOM 0 H ASP A 103 -1.380 0.151 9.213 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.732 -2.406 8.294 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.799 -2.181 10.391 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -3.006 -1.071 9.773 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.206 -1.012 6.642 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.009 -1.128 5.432 1.00 0.28 C ATOM 1073 C GLU A 104 -3.131 -0.967 4.196 1.00 0.23 C ATOM 1074 O GLU A 104 -3.133 -1.814 3.305 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.113 -0.064 5.402 1.00 0.37 C ATOM 1076 CG GLU A 104 -6.110 -0.160 6.540 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.142 0.950 6.478 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.806 2.103 6.809 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -8.304 0.663 6.112 1.00 1.66 O ATOM 0 H GLU A 104 -3.348 -0.146 7.161 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.467 -2.117 5.432 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.650 0.923 5.424 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.651 -0.143 4.457 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.613 -1.126 6.503 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.581 -0.112 7.492 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.370 0.122 4.157 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.598 0.474 2.965 1.00 0.24 C ATOM 1088 C GLU A 105 -0.535 -0.575 2.668 1.00 0.18 C ATOM 1089 O GLU A 105 -0.283 -0.909 1.507 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.939 1.852 3.120 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.911 2.949 3.515 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.311 4.342 3.430 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.298 4.588 4.105 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -1.834 5.199 2.666 1.00 0.44 O ATOM 0 H GLU A 105 -2.270 0.776 4.933 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.295 0.511 2.128 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.152 1.787 3.872 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.459 2.124 2.180 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.787 2.898 2.869 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.255 2.771 4.534 1.00 0.33 H new ATOM 1101 N PHE A 106 0.073 -1.110 3.715 1.00 0.18 N ATOM 1102 CA PHE A 106 1.115 -2.111 3.553 1.00 0.17 C ATOM 1103 C PHE A 106 0.505 -3.450 3.165 1.00 0.18 C ATOM 1104 O PHE A 106 1.101 -4.208 2.402 1.00 0.23 O ATOM 1105 CB PHE A 106 1.941 -2.255 4.829 1.00 0.18 C ATOM 1106 CG PHE A 106 3.116 -3.188 4.683 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.134 -2.907 3.781 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.209 -4.337 5.451 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.218 -3.755 3.651 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.294 -5.188 5.324 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.299 -4.895 4.426 1.00 0.42 C ATOM 0 H PHE A 106 -0.136 -0.869 4.684 1.00 0.18 H new ATOM 0 HA PHE A 106 1.780 -1.781 2.755 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.303 -1.272 5.131 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.297 -2.617 5.630 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.078 -2.015 3.174 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.426 -4.572 6.157 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.001 -3.526 2.944 1.00 0.42 H new ATOM 0 HE2 PHE A 106 4.353 -6.081 5.928 1.00 0.42 H new ATOM 0 HZ PHE A 106 6.148 -5.556 4.329 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.684 -3.738 3.690 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.417 -4.930 3.278 1.00 0.19 C ATOM 1123 C ALA A 107 -1.705 -4.874 1.782 1.00 0.18 C ATOM 1124 O ALA A 107 -1.563 -5.871 1.068 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.716 -5.074 4.060 1.00 0.21 C ATOM 0 H ALA A 107 -1.155 -3.169 4.393 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.798 -5.802 3.491 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.241 -5.971 3.732 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.493 -5.153 5.124 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.345 -4.201 3.885 1.00 0.21 H new ATOM 1131 N LEU A 108 -2.105 -3.696 1.312 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.349 -3.469 -0.110 1.00 0.19 C ATOM 1133 C LEU A 108 -1.055 -3.676 -0.895 1.00 0.20 C ATOM 1134 O LEU A 108 -1.036 -4.378 -1.911 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.897 -2.044 -0.325 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.498 -1.734 -1.705 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.359 -0.485 -1.627 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.413 -1.538 -2.756 1.00 1.14 C ATOM 0 H LEU A 108 -2.268 -2.878 1.899 1.00 0.17 H new ATOM 0 HA LEU A 108 -3.091 -4.182 -0.471 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.662 -1.857 0.429 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.088 -1.337 -0.140 1.00 0.23 H new ATOM 0 HG LEU A 108 -4.109 -2.587 -2.000 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.781 -0.272 -2.609 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -5.166 -0.644 -0.912 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -3.748 0.358 -1.304 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -2.875 -1.321 -3.719 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -1.771 -0.707 -2.465 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -1.816 -2.446 -2.837 1.00 1.14 H new ATOM 1150 N ALA A 109 0.026 -3.072 -0.404 1.00 0.23 N ATOM 1151 CA ALA A 109 1.337 -3.191 -1.034 1.00 0.28 C ATOM 1152 C ALA A 109 1.749 -4.654 -1.179 1.00 0.29 C ATOM 1153 O ALA A 109 2.097 -5.100 -2.272 1.00 0.32 O ATOM 1154 CB ALA A 109 2.377 -2.415 -0.233 1.00 0.32 C ATOM 0 H ALA A 109 0.017 -2.491 0.435 1.00 0.23 H new ATOM 0 HA ALA A 109 1.275 -2.764 -2.035 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.351 -2.511 -0.712 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.094 -1.363 -0.193 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.430 -2.816 0.779 1.00 0.32 H new ATOM 1160 N ASN A 110 1.689 -5.402 -0.077 1.00 0.30 N ATOM 1161 CA ASN A 110 2.044 -6.822 -0.085 1.00 0.33 C ATOM 1162 C ASN A 110 1.170 -7.596 -1.057 1.00 0.33 C ATOM 1163 O ASN A 110 1.627 -8.541 -1.697 1.00 0.39 O ATOM 1164 CB ASN A 110 1.900 -7.449 1.309 1.00 0.36 C ATOM 1165 CG ASN A 110 2.929 -6.971 2.319 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.139 -6.661 1.863 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 2.641 -6.906 3.510 1.00 0.71 N flip ATOM 0 H ASN A 110 1.397 -5.048 0.834 1.00 0.30 H new ATOM 0 HA ASN A 110 3.086 -6.882 -0.398 1.00 0.33 H new ATOM 0 HB2 ASN A 110 0.903 -7.230 1.692 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.975 -8.533 1.217 1.00 0.36 H new ATOM 0 HD21 ASN A 110 1.701 -7.152 3.822 1.00 0.71 H new ATOM 0 HD22 ASN A 110 3.341 -6.606 4.188 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.088 -7.191 -1.166 1.00 0.29 N ATOM 1175 CA HIS A 111 -1.026 -7.859 -2.056 1.00 0.30 C ATOM 1176 C HIS A 111 -0.579 -7.702 -3.506 1.00 0.33 C ATOM 1177 O HIS A 111 -0.663 -8.644 -4.295 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.441 -7.298 -1.870 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.518 -8.243 -2.311 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.823 -9.397 -1.626 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.371 -8.202 -3.364 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.807 -10.029 -2.232 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -5.163 -9.327 -3.292 1.00 0.45 N ATOM 0 H HIS A 111 -0.482 -6.404 -0.650 1.00 0.29 H new ATOM 0 HA HIS A 111 -1.043 -8.920 -1.807 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.591 -7.052 -0.819 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.532 -6.368 -2.431 1.00 0.26 H new ATOM 0 HD1 HIS A 111 -3.357 -9.715 -0.776 1.00 0.46 H new ATOM 0 HD2 HIS A 111 -4.420 -7.431 -4.119 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -5.248 -10.963 -1.916 1.00 0.52 H new ATOM 1192 N LEU A 112 -0.088 -6.516 -3.845 1.00 0.27 N ATOM 1193 CA LEU A 112 0.408 -6.253 -5.192 1.00 0.32 C ATOM 1194 C LEU A 112 1.765 -6.914 -5.413 1.00 0.36 C ATOM 1195 O LEU A 112 2.067 -7.368 -6.518 1.00 0.40 O ATOM 1196 CB LEU A 112 0.497 -4.749 -5.458 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.852 -4.039 -5.605 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.647 -2.559 -5.872 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.674 -4.673 -6.721 1.00 0.52 C ATOM 0 H LEU A 112 -0.022 -5.722 -3.208 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.302 -6.685 -5.898 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.050 -4.283 -4.642 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.076 -4.589 -6.368 1.00 0.36 H new ATOM 0 HG LEU A 112 -1.401 -4.149 -4.670 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.616 -2.070 -5.974 1.00 0.55 H new ATOM 0 HD12 LEU A 112 -0.100 -2.112 -5.042 1.00 0.55 H new ATOM 0 HD13 LEU A 112 -0.077 -2.431 -6.792 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.629 -4.154 -6.809 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.130 -4.595 -7.663 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.852 -5.723 -6.490 1.00 0.52 H new ATOM 1211 N ILE A 113 2.579 -6.972 -4.363 1.00 0.39 N ATOM 1212 CA ILE A 113 3.846 -7.693 -4.416 1.00 0.49 C ATOM 1213 C ILE A 113 3.587 -9.160 -4.747 1.00 0.54 C ATOM 1214 O ILE A 113 4.254 -9.751 -5.601 1.00 0.60 O ATOM 1215 CB ILE A 113 4.614 -7.604 -3.076 1.00 0.55 C ATOM 1216 CG1 ILE A 113 4.966 -6.148 -2.745 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.876 -8.459 -3.125 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.636 -5.978 -1.398 1.00 0.84 C ATOM 0 H ILE A 113 2.384 -6.528 -3.466 1.00 0.39 H new ATOM 0 HA ILE A 113 4.458 -7.230 -5.190 1.00 0.49 H new ATOM 0 HB ILE A 113 3.966 -7.987 -2.287 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.624 -5.757 -3.521 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.056 -5.549 -2.767 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.403 -8.384 -2.174 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.604 -9.499 -3.308 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.524 -8.106 -3.928 1.00 0.73 H new ATOM 0 HD11 ILE A 113 5.856 -4.923 -1.231 1.00 0.84 H new ATOM 0 HD12 ILE A 113 4.971 -6.339 -0.613 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.564 -6.549 -1.378 1.00 0.84 H new ATOM 1230 N LYS A 114 2.595 -9.726 -4.070 1.00 0.56 N ATOM 1231 CA LYS A 114 2.183 -11.105 -4.295 1.00 0.70 C ATOM 1232 C LYS A 114 1.721 -11.287 -5.737 1.00 0.66 C ATOM 1233 O LYS A 114 2.057 -12.277 -6.381 1.00 0.68 O ATOM 1234 CB LYS A 114 1.057 -11.476 -3.327 1.00 0.86 C ATOM 1235 CG LYS A 114 0.554 -12.909 -3.453 1.00 1.54 C ATOM 1236 CD LYS A 114 1.562 -13.927 -2.935 1.00 2.03 C ATOM 1237 CE LYS A 114 2.483 -14.446 -4.028 1.00 2.96 C ATOM 1238 NZ LYS A 114 3.319 -15.578 -3.544 1.00 3.83 N ATOM 0 H LYS A 114 2.055 -9.243 -3.352 1.00 0.56 H new ATOM 0 HA LYS A 114 3.033 -11.763 -4.117 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.406 -11.317 -2.307 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.220 -10.796 -3.487 1.00 0.86 H new ATOM 0 HG2 LYS A 114 -0.380 -13.013 -2.900 1.00 1.54 H new ATOM 0 HG3 LYS A 114 0.331 -13.122 -4.498 1.00 1.54 H new ATOM 0 HD2 LYS A 114 2.161 -13.471 -2.147 1.00 2.03 H new ATOM 0 HD3 LYS A 114 1.029 -14.765 -2.486 1.00 2.03 H new ATOM 0 HE2 LYS A 114 1.889 -14.770 -4.882 1.00 2.96 H new ATOM 0 HE3 LYS A 114 3.128 -13.639 -4.376 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 3.935 -15.908 -4.314 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 3.903 -15.261 -2.744 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 2.703 -16.357 -3.235 1.00 3.83 H new ATOM 1252 N VAL A 115 0.955 -10.318 -6.231 1.00 0.64 N ATOM 1253 CA VAL A 115 0.506 -10.313 -7.622 1.00 0.70 C ATOM 1254 C VAL A 115 1.690 -10.451 -8.580 1.00 0.71 C ATOM 1255 O VAL A 115 1.665 -11.268 -9.503 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.286 -9.021 -7.949 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -0.473 -8.848 -9.451 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.635 -9.035 -7.242 1.00 1.07 C ATOM 0 H VAL A 115 0.630 -9.520 -5.685 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.155 -11.170 -7.754 1.00 0.70 H new ATOM 0 HB VAL A 115 0.294 -8.172 -7.587 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.032 -7.933 -9.645 1.00 1.19 H new ATOM 0 HG12 VAL A 115 0.502 -8.787 -9.934 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -1.023 -9.700 -9.850 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.180 -8.122 -7.481 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.211 -9.899 -7.574 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.481 -9.094 -6.165 1.00 1.07 H new ATOM 1268 N LYS A 116 2.733 -9.671 -8.343 1.00 0.65 N ATOM 1269 CA LYS A 116 3.912 -9.708 -9.198 1.00 0.73 C ATOM 1270 C LYS A 116 4.677 -11.016 -9.028 1.00 0.76 C ATOM 1271 O LYS A 116 5.173 -11.581 -10.000 1.00 0.90 O ATOM 1272 CB LYS A 116 4.824 -8.516 -8.910 1.00 0.72 C ATOM 1273 CG LYS A 116 4.183 -7.174 -9.232 1.00 0.95 C ATOM 1274 CD LYS A 116 3.626 -7.142 -10.649 1.00 0.93 C ATOM 1275 CE LYS A 116 4.710 -7.406 -11.682 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.143 -7.642 -13.033 1.00 1.32 N ATOM 0 H LYS A 116 2.789 -9.007 -7.570 1.00 0.65 H new ATOM 0 HA LYS A 116 3.575 -9.647 -10.233 1.00 0.73 H new ATOM 0 HB2 LYS A 116 5.109 -8.531 -7.858 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.741 -8.621 -9.490 1.00 0.72 H new ATOM 0 HG2 LYS A 116 3.381 -6.974 -8.521 1.00 0.95 H new ATOM 0 HG3 LYS A 116 4.921 -6.380 -9.113 1.00 0.95 H new ATOM 0 HD2 LYS A 116 2.838 -7.889 -10.748 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.170 -6.171 -10.839 1.00 0.93 H new ATOM 0 HE2 LYS A 116 5.392 -6.556 -11.718 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.297 -8.273 -11.378 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 4.842 -8.139 -13.621 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 3.283 -8.222 -12.952 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 3.906 -6.731 -13.474 1.00 1.32 H new ATOM 1290 N LEU A 117 4.752 -11.498 -7.791 1.00 0.67 N ATOM 1291 CA LEU A 117 5.415 -12.767 -7.496 1.00 0.74 C ATOM 1292 C LEU A 117 4.658 -13.934 -8.112 1.00 0.78 C ATOM 1293 O LEU A 117 5.241 -14.967 -8.444 1.00 0.85 O ATOM 1294 CB LEU A 117 5.527 -12.968 -5.984 1.00 0.74 C ATOM 1295 CG LEU A 117 6.449 -11.990 -5.258 1.00 0.79 C ATOM 1296 CD1 LEU A 117 6.388 -12.223 -3.759 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.877 -12.131 -5.759 1.00 0.96 C ATOM 0 H LEU A 117 4.361 -11.029 -6.974 1.00 0.67 H new ATOM 0 HA LEU A 117 6.414 -12.732 -7.931 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.530 -12.891 -5.550 1.00 0.74 H new ATOM 0 HB3 LEU A 117 5.880 -13.982 -5.795 1.00 0.74 H new ATOM 0 HG LEU A 117 6.110 -10.975 -5.467 1.00 0.79 H new ATOM 0 HD11 LEU A 117 7.050 -11.519 -3.254 1.00 0.90 H new ATOM 0 HD12 LEU A 117 5.366 -12.075 -3.409 1.00 0.90 H new ATOM 0 HD13 LEU A 117 6.704 -13.242 -3.536 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.519 -11.427 -5.231 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.227 -13.147 -5.578 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.910 -11.920 -6.828 1.00 0.96 H new ATOM 1309 N GLU A 118 3.351 -13.767 -8.249 1.00 0.78 N ATOM 1310 CA GLU A 118 2.506 -14.788 -8.844 1.00 0.90 C ATOM 1311 C GLU A 118 2.654 -14.770 -10.359 1.00 1.00 C ATOM 1312 O GLU A 118 2.389 -15.760 -11.043 1.00 1.17 O ATOM 1313 CB GLU A 118 1.049 -14.547 -8.452 1.00 0.95 C ATOM 1314 CG GLU A 118 0.129 -15.711 -8.768 1.00 1.31 C ATOM 1315 CD GLU A 118 0.370 -16.903 -7.866 1.00 1.52 C ATOM 1316 OE1 GLU A 118 1.412 -17.569 -8.018 1.00 2.18 O ATOM 1317 OE2 GLU A 118 -0.489 -17.181 -7.009 1.00 1.90 O ATOM 0 H GLU A 118 2.851 -12.928 -7.954 1.00 0.78 H new ATOM 0 HA GLU A 118 2.814 -15.766 -8.475 1.00 0.90 H new ATOM 0 HB2 GLU A 118 1.000 -14.337 -7.384 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.686 -13.658 -8.968 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.907 -15.388 -8.669 1.00 1.31 H new ATOM 0 HG3 GLU A 118 0.271 -16.011 -9.806 1.00 1.31 H new ATOM 1324 N GLY A 119 3.096 -13.636 -10.873 1.00 0.95 N ATOM 1325 CA GLY A 119 3.282 -13.490 -12.299 1.00 1.06 C ATOM 1326 C GLY A 119 2.136 -12.765 -12.964 1.00 1.06 C ATOM 1327 O GLY A 119 1.941 -12.872 -14.171 1.00 1.16 O ATOM 0 H GLY A 119 3.331 -12.809 -10.325 1.00 0.95 H new ATOM 0 HA2 GLY A 119 4.208 -12.947 -12.487 1.00 1.06 H new ATOM 0 HA3 GLY A 119 3.393 -14.476 -12.750 1.00 1.06 H new ATOM 1331 N HIS A 120 1.367 -12.033 -12.177 1.00 0.96 N ATOM 1332 CA HIS A 120 0.290 -11.223 -12.719 1.00 0.97 C ATOM 1333 C HIS A 120 0.769 -9.786 -12.881 1.00 0.94 C ATOM 1334 O HIS A 120 1.825 -9.412 -12.365 1.00 0.95 O ATOM 1335 CB HIS A 120 -0.954 -11.267 -11.823 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.663 -12.589 -11.818 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -2.942 -12.763 -12.309 1.00 1.80 N ATOM 1338 CD2 HIS A 120 -1.274 -13.799 -11.358 1.00 1.83 C ATOM 1339 CE1 HIS A 120 -3.301 -14.024 -12.152 1.00 2.36 C ATOM 1340 NE2 HIS A 120 -2.305 -14.673 -11.581 1.00 2.42 N ATOM 0 H HIS A 120 1.468 -11.983 -11.163 1.00 0.96 H new ATOM 0 HA HIS A 120 0.011 -11.631 -13.691 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.661 -11.021 -10.802 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.651 -10.495 -12.150 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -0.325 -14.034 -10.899 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -4.249 -14.451 -12.442 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -2.303 -15.665 -11.344 1.00 2.42 H new ATOM 1349 N GLU A 121 0.005 -8.985 -13.601 1.00 1.03 N ATOM 1350 CA GLU A 121 0.374 -7.603 -13.835 1.00 1.05 C ATOM 1351 C GLU A 121 -0.632 -6.670 -13.173 1.00 0.98 C ATOM 1352 O GLU A 121 -1.824 -6.980 -13.097 1.00 1.14 O ATOM 1353 CB GLU A 121 0.450 -7.321 -15.338 1.00 1.25 C ATOM 1354 CG GLU A 121 1.109 -5.994 -15.668 1.00 1.61 C ATOM 1355 CD GLU A 121 2.525 -5.913 -15.141 1.00 1.79 C ATOM 1356 OE1 GLU A 121 2.700 -5.634 -13.937 1.00 2.53 O ATOM 1357 OE2 GLU A 121 3.470 -6.151 -15.922 1.00 1.77 O ATOM 0 H GLU A 121 -0.874 -9.269 -14.033 1.00 1.03 H new ATOM 0 HA GLU A 121 1.356 -7.425 -13.397 1.00 1.05 H new ATOM 0 HB2 GLU A 121 1.004 -8.124 -15.824 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -0.557 -7.332 -15.754 1.00 1.25 H new ATOM 0 HG2 GLU A 121 1.117 -5.853 -16.749 1.00 1.61 H new ATOM 0 HG3 GLU A 121 0.518 -5.182 -15.245 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.147 -5.539 -12.686 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.011 -4.540 -12.087 1.00 0.87 C ATOM 1366 C LEU A 122 -1.143 -3.349 -13.032 1.00 0.93 C ATOM 1367 O LEU A 122 -0.172 -2.952 -13.673 1.00 1.02 O ATOM 1368 CB LEU A 122 -0.482 -4.115 -10.703 1.00 0.89 C ATOM 1369 CG LEU A 122 1.009 -3.753 -10.624 1.00 1.05 C ATOM 1370 CD1 LEU A 122 1.249 -2.298 -11.007 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.543 -4.031 -9.228 1.00 1.16 C ATOM 0 H LEU A 122 0.842 -5.292 -12.695 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.002 -4.967 -11.931 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -1.061 -3.255 -10.365 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -0.675 -4.925 -10.000 1.00 0.89 H new ATOM 0 HG LEU A 122 1.546 -4.376 -11.339 1.00 1.05 H new ATOM 0 HD11 LEU A 122 2.314 -2.075 -10.940 1.00 1.33 H new ATOM 0 HD12 LEU A 122 0.906 -2.129 -12.028 1.00 1.33 H new ATOM 0 HD13 LEU A 122 0.699 -1.647 -10.327 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.601 -3.771 -9.184 1.00 1.16 H new ATOM 0 HD22 LEU A 122 0.992 -3.433 -8.502 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.420 -5.089 -8.995 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.350 -2.778 -13.148 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.621 -1.673 -14.080 1.00 1.06 C ATOM 1385 C PRO A 123 -2.005 -0.348 -13.636 1.00 1.07 C ATOM 1386 O PRO A 123 -2.160 0.668 -14.315 1.00 1.18 O ATOM 1387 CB PRO A 123 -4.154 -1.562 -14.085 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.653 -2.765 -13.351 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.554 -3.176 -12.416 1.00 1.02 C ATOM 0 HA PRO A 123 -2.186 -1.873 -15.059 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.481 -0.643 -13.598 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -4.541 -1.537 -15.104 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -5.565 -2.534 -12.801 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -4.895 -3.571 -14.044 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -3.630 -2.670 -11.454 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -3.571 -4.247 -12.215 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.317 -0.369 -12.492 1.00 1.00 N ATOM 1398 CA ALA A 124 -0.726 0.838 -11.905 1.00 1.07 C ATOM 1399 C ALA A 124 -1.806 1.886 -11.628 1.00 1.11 C ATOM 1400 O ALA A 124 -1.526 3.085 -11.540 1.00 1.25 O ATOM 1401 CB ALA A 124 0.362 1.404 -12.815 1.00 1.23 C ATOM 0 H ALA A 124 -1.154 -1.217 -11.949 1.00 1.00 H new ATOM 0 HA ALA A 124 -0.264 0.567 -10.955 1.00 1.07 H new ATOM 0 HB1 ALA A 124 0.787 2.299 -12.361 1.00 1.23 H new ATOM 0 HB2 ALA A 124 1.146 0.659 -12.952 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -0.069 1.659 -13.783 1.00 1.23 H new ATOM 1407 N ASP A 125 -3.040 1.416 -11.478 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.177 2.281 -11.213 1.00 1.15 C ATOM 1409 C ASP A 125 -4.971 1.687 -10.056 1.00 1.07 C ATOM 1410 O ASP A 125 -4.707 0.555 -9.649 1.00 1.04 O ATOM 1411 CB ASP A 125 -5.055 2.398 -12.468 1.00 1.24 C ATOM 1412 CG ASP A 125 -5.848 3.693 -12.527 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -6.456 4.082 -11.512 1.00 2.73 O ATOM 1414 OD2 ASP A 125 -5.877 4.323 -13.608 1.00 2.11 O ATOM 0 H ASP A 125 -3.277 0.426 -11.537 1.00 1.06 H new ATOM 0 HA ASP A 125 -3.836 3.282 -10.949 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -4.423 2.326 -13.353 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -5.746 1.555 -12.500 1.00 1.24 H new ATOM 1419 N LEU A 126 -5.936 2.427 -9.541 1.00 1.07 N ATOM 1420 CA LEU A 126 -6.683 1.992 -8.368 1.00 1.02 C ATOM 1421 C LEU A 126 -8.157 1.781 -8.674 1.00 1.10 C ATOM 1422 O LEU A 126 -8.911 2.741 -8.840 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.544 2.996 -7.229 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.235 2.915 -6.451 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.264 3.876 -5.281 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -4.983 1.492 -5.969 1.00 1.66 C ATOM 0 H LEU A 126 -6.223 3.332 -9.914 1.00 1.07 H new ATOM 0 HA LEU A 126 -6.256 1.036 -8.065 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -6.644 4.002 -7.638 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -7.371 2.850 -6.534 1.00 1.00 H new ATOM 0 HG LEU A 126 -4.418 3.198 -7.115 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -4.324 3.810 -4.732 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -5.399 4.893 -5.649 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -6.090 3.618 -4.618 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -4.044 1.456 -5.416 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -5.799 1.178 -5.318 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -4.925 0.822 -6.827 1.00 1.66 H new ATOM 1438 N PRO A 127 -8.584 0.514 -8.755 1.00 1.08 N ATOM 1439 CA PRO A 127 -9.999 0.164 -8.828 1.00 1.16 C ATOM 1440 C PRO A 127 -10.690 0.418 -7.489 1.00 1.08 C ATOM 1441 O PRO A 127 -10.069 0.270 -6.437 1.00 0.96 O ATOM 1442 CB PRO A 127 -9.996 -1.340 -9.149 1.00 1.17 C ATOM 1443 CG PRO A 127 -8.586 -1.679 -9.506 1.00 1.11 C ATOM 1444 CD PRO A 127 -7.725 -0.676 -8.796 1.00 1.03 C ATOM 0 HA PRO A 127 -10.536 0.755 -9.570 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -10.333 -1.923 -8.292 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.673 -1.565 -9.973 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -8.339 -2.694 -9.196 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -8.434 -1.629 -10.584 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.451 -1.013 -7.796 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -6.796 -0.487 -9.334 1.00 1.03 H new ATOM 1452 N PRO A 128 -11.979 0.794 -7.509 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.741 1.102 -6.290 1.00 1.21 C ATOM 1454 C PRO A 128 -12.639 0.018 -5.213 1.00 1.10 C ATOM 1455 O PRO A 128 -12.553 0.329 -4.029 1.00 1.18 O ATOM 1456 CB PRO A 128 -14.181 1.222 -6.794 1.00 1.37 C ATOM 1457 CG PRO A 128 -14.041 1.647 -8.211 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.792 0.979 -8.723 1.00 1.37 C ATOM 0 HA PRO A 128 -12.360 2.000 -5.803 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.711 0.273 -6.714 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -14.746 1.952 -6.214 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -14.911 1.348 -8.796 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -13.963 2.732 -8.287 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -13.015 0.027 -9.206 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.279 1.598 -9.459 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.625 -1.249 -5.624 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.570 -2.352 -4.665 1.00 0.97 C ATOM 1468 C HIS A 129 -11.139 -2.627 -4.189 1.00 0.84 C ATOM 1469 O HIS A 129 -10.897 -3.581 -3.450 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.203 -3.627 -5.250 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.471 -4.244 -6.412 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.728 -3.914 -7.726 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.497 -5.184 -6.450 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -11.955 -4.632 -8.521 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -11.197 -5.410 -7.772 1.00 0.89 N ATOM 0 H HIS A 129 -12.651 -1.536 -6.603 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.151 -2.048 -3.795 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.279 -4.370 -4.456 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.219 -3.394 -5.567 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -11.040 -5.667 -5.599 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.945 -4.589 -9.600 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.502 -6.071 -8.118 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.192 -1.806 -4.629 1.00 0.79 N ATOM 1485 CA LEU A 130 -8.819 -1.892 -4.152 1.00 0.70 C ATOM 1486 C LEU A 130 -8.546 -0.816 -3.110 1.00 0.65 C ATOM 1487 O LEU A 130 -7.607 -0.928 -2.324 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.840 -1.740 -5.315 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.217 -3.034 -5.836 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.368 -3.691 -4.758 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -8.282 -3.992 -6.336 1.00 1.29 C ATOM 0 H LEU A 130 -10.352 -1.071 -5.318 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.680 -2.871 -3.694 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.359 -1.251 -6.140 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -7.037 -1.072 -5.004 1.00 0.73 H new ATOM 0 HG LEU A 130 -6.572 -2.781 -6.678 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -5.933 -4.611 -5.148 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -5.571 -3.011 -4.458 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -6.992 -3.922 -3.894 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.809 -4.904 -6.701 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -8.963 -4.237 -5.521 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.841 -3.524 -7.147 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.374 0.219 -3.109 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.217 1.332 -2.180 1.00 0.71 C ATOM 1505 C VAL A 131 -9.666 0.930 -0.781 1.00 0.69 C ATOM 1506 O VAL A 131 -10.779 0.434 -0.600 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.025 2.568 -2.634 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -9.772 3.752 -1.710 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -9.687 2.927 -4.073 1.00 1.28 C ATOM 0 H VAL A 131 -10.166 0.312 -3.745 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.158 1.592 -2.166 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.085 2.320 -2.581 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.352 4.610 -2.051 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.071 3.492 -0.695 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -8.711 4.003 -1.722 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -10.265 3.800 -4.376 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -8.623 3.151 -4.152 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -9.930 2.087 -4.724 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.790 1.127 0.221 1.00 0.62 N ATOM 1520 CA PRO A 132 -9.114 0.841 1.618 1.00 0.65 C ATOM 1521 C PRO A 132 -10.368 1.585 2.071 1.00 0.77 C ATOM 1522 O PRO A 132 -10.510 2.782 1.818 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.889 1.342 2.391 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.780 1.344 1.395 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.412 1.632 0.062 1.00 0.57 C ATOM 0 HA PRO A 132 -9.323 -0.217 1.780 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -8.058 2.340 2.795 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.661 0.691 3.235 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -6.035 2.100 1.644 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.267 0.383 1.383 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.398 2.698 -0.167 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.889 1.125 -0.749 1.00 0.57 H new ATOM 1533 N PRO A 133 -11.283 0.887 2.759 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.565 1.459 3.192 1.00 1.03 C ATOM 1535 C PRO A 133 -12.398 2.689 4.085 1.00 1.04 C ATOM 1536 O PRO A 133 -13.291 3.530 4.175 1.00 1.13 O ATOM 1537 CB PRO A 133 -13.230 0.313 3.971 1.00 1.17 C ATOM 1538 CG PRO A 133 -12.126 -0.632 4.298 1.00 1.03 C ATOM 1539 CD PRO A 133 -11.143 -0.518 3.169 1.00 0.93 C ATOM 0 HA PRO A 133 -13.151 1.812 2.343 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -13.714 0.681 4.876 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -14.001 -0.174 3.373 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.660 -0.375 5.249 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -12.499 -1.652 4.391 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -10.127 -0.746 3.492 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -11.380 -1.203 2.355 1.00 0.93 H new ATOM 1547 N SER A 134 -11.247 2.797 4.729 1.00 1.02 N ATOM 1548 CA SER A 134 -10.967 3.916 5.613 1.00 1.09 C ATOM 1549 C SER A 134 -10.499 5.143 4.826 1.00 1.09 C ATOM 1550 O SER A 134 -10.505 6.260 5.340 1.00 1.22 O ATOM 1551 CB SER A 134 -9.904 3.502 6.628 1.00 1.14 C ATOM 1552 OG SER A 134 -10.205 2.227 7.171 1.00 1.60 O ATOM 0 H SER A 134 -10.488 2.119 4.655 1.00 1.02 H new ATOM 0 HA SER A 134 -11.886 4.188 6.133 1.00 1.09 H new ATOM 0 HB2 SER A 134 -8.925 3.478 6.149 1.00 1.14 H new ATOM 0 HB3 SER A 134 -9.849 4.241 7.428 1.00 1.14 H new ATOM 0 HG SER A 134 -9.713 1.537 6.679 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.091 4.932 3.578 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.551 6.013 2.760 1.00 1.02 C ATOM 1560 C LYS A 135 -10.378 6.233 1.493 1.00 1.11 C ATOM 1561 O LYS A 135 -9.882 6.800 0.520 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.099 5.717 2.368 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.099 5.877 3.502 1.00 0.90 C ATOM 1564 CD LYS A 135 -6.568 4.540 3.997 1.00 0.67 C ATOM 1565 CE LYS A 135 -5.405 4.741 4.965 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.893 3.454 5.505 1.00 1.15 N ATOM 0 H LYS A 135 -10.124 4.025 3.112 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.593 6.921 3.362 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.039 4.697 1.987 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.813 6.380 1.551 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -6.266 6.494 3.164 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.573 6.406 4.329 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -7.367 3.987 4.492 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -6.241 3.938 3.149 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -4.597 5.266 4.455 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -5.727 5.376 5.790 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -4.174 3.644 6.232 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -5.678 2.917 5.926 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -4.468 2.899 4.735 1.00 1.15 H new ATOM 1580 N ARG A 136 -11.633 5.806 1.497 1.00 1.14 N ATOM 1581 CA ARG A 136 -12.444 5.879 0.284 1.00 1.24 C ATOM 1582 C ARG A 136 -13.146 7.235 0.142 1.00 1.49 C ATOM 1583 O ARG A 136 -14.150 7.516 0.800 1.00 1.58 O ATOM 1584 CB ARG A 136 -13.448 4.717 0.219 1.00 1.18 C ATOM 1585 CG ARG A 136 -14.411 4.646 1.391 1.00 1.21 C ATOM 1586 CD ARG A 136 -15.350 3.455 1.271 1.00 1.20 C ATOM 1587 NE ARG A 136 -16.402 3.487 2.289 1.00 1.60 N ATOM 1588 CZ ARG A 136 -17.189 2.452 2.602 1.00 1.82 C ATOM 1589 NH1 ARG A 136 -17.039 1.281 1.997 1.00 1.40 N ATOM 1590 NH2 ARG A 136 -18.127 2.598 3.532 1.00 2.76 N ATOM 0 H ARG A 136 -12.108 5.412 2.309 1.00 1.14 H new ATOM 0 HA ARG A 136 -11.766 5.784 -0.564 1.00 1.24 H new ATOM 0 HB2 ARG A 136 -14.024 4.803 -0.702 1.00 1.18 H new ATOM 0 HB3 ARG A 136 -12.895 3.779 0.163 1.00 1.18 H new ATOM 0 HG2 ARG A 136 -13.848 4.574 2.322 1.00 1.21 H new ATOM 0 HG3 ARG A 136 -14.993 5.566 1.441 1.00 1.21 H new ATOM 0 HD2 ARG A 136 -15.803 3.448 0.280 1.00 1.20 H new ATOM 0 HD3 ARG A 136 -14.779 2.531 1.367 1.00 1.20 H new ATOM 0 HE ARG A 136 -16.545 4.361 2.795 1.00 1.60 H new ATOM 0 HH11 ARG A 136 -16.318 1.163 1.285 1.00 1.40 H new ATOM 0 HH12 ARG A 136 -17.645 0.498 2.244 1.00 1.40 H new ATOM 0 HH21 ARG A 136 -18.243 3.496 4.002 1.00 2.76 H new ATOM 0 HH22 ARG A 136 -18.731 1.813 3.775 1.00 2.76 H new ATOM 1604 N ARG A 137 -12.582 8.080 -0.712 1.00 1.73 N ATOM 1605 CA ARG A 137 -13.171 9.373 -1.044 1.00 2.03 C ATOM 1606 C ARG A 137 -13.177 9.555 -2.559 1.00 2.43 C ATOM 1607 O ARG A 137 -12.168 9.318 -3.220 1.00 2.60 O ATOM 1608 CB ARG A 137 -12.392 10.520 -0.386 1.00 2.24 C ATOM 1609 CG ARG A 137 -12.867 11.905 -0.811 1.00 2.53 C ATOM 1610 CD ARG A 137 -14.184 12.294 -0.152 1.00 2.87 C ATOM 1611 NE ARG A 137 -13.986 12.810 1.201 1.00 3.17 N ATOM 1612 CZ ARG A 137 -14.938 13.399 1.924 1.00 3.83 C ATOM 1613 NH1 ARG A 137 -16.169 13.543 1.433 1.00 4.17 N ATOM 1614 NH2 ARG A 137 -14.659 13.852 3.137 1.00 4.54 N ATOM 0 H ARG A 137 -11.704 7.889 -1.194 1.00 1.73 H new ATOM 0 HA ARG A 137 -14.193 9.395 -0.665 1.00 2.03 H new ATOM 0 HB2 ARG A 137 -12.479 10.432 0.697 1.00 2.24 H new ATOM 0 HB3 ARG A 137 -11.335 10.417 -0.631 1.00 2.24 H new ATOM 0 HG2 ARG A 137 -12.105 12.642 -0.557 1.00 2.53 H new ATOM 0 HG3 ARG A 137 -12.985 11.929 -1.894 1.00 2.53 H new ATOM 0 HD2 ARG A 137 -14.684 13.049 -0.759 1.00 2.87 H new ATOM 0 HD3 ARG A 137 -14.842 11.426 -0.117 1.00 2.87 H new ATOM 0 HE ARG A 137 -13.060 12.713 1.618 1.00 3.17 H new ATOM 0 HH11 ARG A 137 -16.388 13.201 0.497 1.00 4.17 H new ATOM 0 HH12 ARG A 137 -16.892 13.995 1.993 1.00 4.17 H new ATOM 0 HH21 ARG A 137 -13.717 13.750 3.516 1.00 4.54 H new ATOM 0 HH22 ARG A 137 -15.386 14.303 3.693 1.00 4.54 H new ATOM 1628 N HIS A 138 -14.315 9.958 -3.104 1.00 2.88 N ATOM 1629 CA HIS A 138 -14.434 10.177 -4.539 1.00 3.44 C ATOM 1630 C HIS A 138 -13.970 11.584 -4.906 1.00 3.98 C ATOM 1631 O HIS A 138 -14.711 12.553 -4.742 1.00 4.30 O ATOM 1632 CB HIS A 138 -15.884 9.966 -5.001 1.00 3.84 C ATOM 1633 CG HIS A 138 -16.084 10.109 -6.485 1.00 4.52 C ATOM 1634 ND1 HIS A 138 -16.169 9.037 -7.343 1.00 5.25 N ATOM 1635 CD2 HIS A 138 -16.222 11.215 -7.257 1.00 4.95 C ATOM 1636 CE1 HIS A 138 -16.351 9.474 -8.576 1.00 5.95 C ATOM 1637 NE2 HIS A 138 -16.391 10.793 -8.552 1.00 5.77 N ATOM 0 H HIS A 138 -15.168 10.140 -2.576 1.00 2.88 H new ATOM 0 HA HIS A 138 -13.797 9.453 -5.046 1.00 3.44 H new ATOM 0 HB2 HIS A 138 -16.210 8.972 -4.696 1.00 3.84 H new ATOM 0 HB3 HIS A 138 -16.525 10.683 -4.488 1.00 3.84 H new ATOM 0 HD2 HIS A 138 -16.203 12.239 -6.916 1.00 4.95 H new ATOM 0 HE1 HIS A 138 -16.450 8.856 -9.456 1.00 5.95 H new ATOM 0 HE2 HIS A 138 -16.525 11.398 -9.362 1.00 5.77 H new ATOM 1646 N GLU A 139 -12.742 11.691 -5.390 1.00 4.30 N ATOM 1647 CA GLU A 139 -12.214 12.966 -5.860 1.00 4.91 C ATOM 1648 C GLU A 139 -12.067 12.940 -7.376 1.00 5.22 C ATOM 1649 O GLU A 139 -11.105 12.318 -7.873 1.00 5.78 O ATOM 1650 CB GLU A 139 -10.867 13.284 -5.200 1.00 5.38 C ATOM 1651 CG GLU A 139 -10.923 13.328 -3.680 1.00 5.41 C ATOM 1652 CD GLU A 139 -9.690 13.963 -3.071 1.00 5.79 C ATOM 1653 OE1 GLU A 139 -8.572 13.718 -3.569 1.00 6.15 O ATOM 1654 OE2 GLU A 139 -9.833 14.719 -2.089 1.00 6.01 O ATOM 1655 OXT GLU A 139 -12.922 13.526 -8.067 1.00 5.23 O ATOM 0 H GLU A 139 -12.090 10.910 -5.468 1.00 4.30 H new ATOM 0 HA GLU A 139 -12.917 13.751 -5.582 1.00 4.91 H new ATOM 0 HB2 GLU A 139 -10.137 12.534 -5.506 1.00 5.38 H new ATOM 0 HB3 GLU A 139 -10.510 14.246 -5.569 1.00 5.38 H new ATOM 0 HG2 GLU A 139 -11.806 13.886 -3.368 1.00 5.41 H new ATOM 0 HG3 GLU A 139 -11.034 12.314 -3.294 1.00 5.41 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 2.974 26.911 1.606 1.00 10.39 N ATOM 1664 CA PHE B 143 3.059 25.555 2.190 1.00 9.66 C ATOM 1665 C PHE B 143 3.901 24.652 1.300 1.00 8.69 C ATOM 1666 O PHE B 143 4.043 24.906 0.105 1.00 8.65 O ATOM 1667 CB PHE B 143 1.664 24.944 2.356 1.00 10.03 C ATOM 1668 CG PHE B 143 0.775 25.678 3.321 1.00 10.55 C ATOM 1669 CD1 PHE B 143 0.980 25.581 4.689 1.00 10.94 C ATOM 1670 CD2 PHE B 143 -0.267 26.467 2.860 1.00 10.86 C ATOM 1671 CE1 PHE B 143 0.160 26.252 5.578 1.00 11.60 C ATOM 1672 CE2 PHE B 143 -1.089 27.139 3.743 1.00 11.48 C ATOM 1673 CZ PHE B 143 -0.875 27.034 5.103 1.00 11.86 C ATOM 0 HA PHE B 143 3.526 25.640 3.171 1.00 9.66 H new ATOM 0 HB2 PHE B 143 1.176 24.914 1.382 1.00 10.03 H new ATOM 0 HB3 PHE B 143 1.770 23.912 2.691 1.00 10.03 H new ATOM 0 HD1 PHE B 143 1.790 24.974 5.065 1.00 10.94 H new ATOM 0 HD2 PHE B 143 -0.438 26.557 1.797 1.00 10.86 H new ATOM 0 HE1 PHE B 143 0.328 26.165 6.641 1.00 11.60 H new ATOM 0 HE2 PHE B 143 -1.900 27.747 3.370 1.00 11.48 H new ATOM 0 HZ PHE B 143 -1.515 27.562 5.794 1.00 11.86 H new ATOM 1685 N ASN B 144 4.469 23.612 1.889 1.00 8.14 N ATOM 1686 CA ASN B 144 5.237 22.631 1.135 1.00 7.38 C ATOM 1687 C ASN B 144 5.050 21.249 1.743 1.00 6.30 C ATOM 1688 O ASN B 144 5.398 21.027 2.904 1.00 6.24 O ATOM 1689 CB ASN B 144 6.725 22.989 1.125 1.00 7.92 C ATOM 1690 CG ASN B 144 7.542 22.003 0.309 1.00 7.74 C ATOM 1691 OD1 ASN B 144 7.073 21.469 -0.697 1.00 7.80 O ATOM 1692 ND2 ASN B 144 8.762 21.741 0.745 1.00 7.83 N ATOM 0 H ASN B 144 4.413 23.424 2.890 1.00 8.14 H new ATOM 0 HA ASN B 144 4.874 22.632 0.107 1.00 7.38 H new ATOM 0 HB2 ASN B 144 6.854 23.992 0.717 1.00 7.92 H new ATOM 0 HB3 ASN B 144 7.100 23.011 2.148 1.00 7.92 H new ATOM 0 HD21 ASN B 144 9.351 21.076 0.244 1.00 7.83 H new ATOM 0 HD22 ASN B 144 9.115 22.204 1.583 1.00 7.83 H new ATOM 1699 N TYR B 145 4.484 20.332 0.970 1.00 5.72 N ATOM 1700 CA TYR B 145 4.272 18.971 1.435 1.00 4.87 C ATOM 1701 C TYR B 145 4.884 17.981 0.453 1.00 4.32 C ATOM 1702 O TYR B 145 4.309 17.687 -0.598 1.00 4.64 O ATOM 1703 CB TYR B 145 2.779 18.686 1.620 1.00 5.10 C ATOM 1704 CG TYR B 145 2.491 17.560 2.593 1.00 5.03 C ATOM 1705 CD1 TYR B 145 2.442 17.776 3.966 1.00 5.32 C ATOM 1706 CD2 TYR B 145 2.272 16.270 2.127 1.00 5.17 C ATOM 1707 CE1 TYR B 145 2.178 16.737 4.844 1.00 5.78 C ATOM 1708 CE2 TYR B 145 2.008 15.229 2.995 1.00 5.60 C ATOM 1709 CZ TYR B 145 1.958 15.518 4.409 1.00 5.92 C ATOM 1710 OH TYR B 145 1.707 14.425 5.220 1.00 6.71 O ATOM 0 H TYR B 145 4.164 20.508 0.018 1.00 5.72 H new ATOM 0 HA TYR B 145 4.762 18.856 2.402 1.00 4.87 H new ATOM 0 HB2 TYR B 145 2.286 19.593 1.970 1.00 5.10 H new ATOM 0 HB3 TYR B 145 2.342 18.439 0.652 1.00 5.10 H new ATOM 0 HD1 TYR B 145 2.612 18.769 4.354 1.00 5.32 H new ATOM 0 HD2 TYR B 145 2.309 16.077 1.065 1.00 5.17 H new ATOM 0 HE1 TYR B 145 2.153 16.934 5.906 1.00 5.78 H new ATOM 0 HE2 TYR B 145 1.844 14.227 2.627 1.00 5.60 H new ATOM 0 HH TYR B 145 1.574 13.629 4.664 1.00 6.71 H new ATOM 1720 N GLU B 146 6.058 17.487 0.797 1.00 3.92 N ATOM 1721 CA GLU B 146 6.769 16.534 -0.035 1.00 3.68 C ATOM 1722 C GLU B 146 6.215 15.128 0.171 1.00 2.72 C ATOM 1723 O GLU B 146 6.197 14.604 1.285 1.00 2.75 O ATOM 1724 CB GLU B 146 8.283 16.576 0.249 1.00 4.48 C ATOM 1725 CG GLU B 146 8.666 16.417 1.718 1.00 5.23 C ATOM 1726 CD GLU B 146 8.393 17.660 2.548 1.00 5.98 C ATOM 1727 OE1 GLU B 146 7.277 17.786 3.091 1.00 6.16 O ATOM 1728 OE2 GLU B 146 9.291 18.520 2.656 1.00 6.61 O ATOM 0 H GLU B 146 6.545 17.734 1.659 1.00 3.92 H new ATOM 0 HA GLU B 146 6.618 16.812 -1.078 1.00 3.68 H new ATOM 0 HB2 GLU B 146 8.768 15.786 -0.325 1.00 4.48 H new ATOM 0 HB3 GLU B 146 8.680 17.524 -0.114 1.00 4.48 H new ATOM 0 HG2 GLU B 146 8.114 15.578 2.141 1.00 5.23 H new ATOM 0 HG3 GLU B 146 9.725 16.169 1.785 1.00 5.23 H new ATOM 1735 N SER B 147 5.747 14.530 -0.912 1.00 2.52 N ATOM 1736 CA SER B 147 5.124 13.218 -0.853 1.00 2.12 C ATOM 1737 C SER B 147 5.534 12.368 -2.056 1.00 1.51 C ATOM 1738 O SER B 147 4.726 11.630 -2.617 1.00 1.82 O ATOM 1739 CB SER B 147 3.599 13.385 -0.789 1.00 3.04 C ATOM 1740 OG SER B 147 3.156 14.389 -1.694 1.00 3.65 O ATOM 0 H SER B 147 5.787 14.935 -1.847 1.00 2.52 H new ATOM 0 HA SER B 147 5.462 12.698 0.043 1.00 2.12 H new ATOM 0 HB2 SER B 147 3.116 12.437 -1.027 1.00 3.04 H new ATOM 0 HB3 SER B 147 3.301 13.649 0.226 1.00 3.04 H new ATOM 0 HG SER B 147 2.182 14.475 -1.636 1.00 3.65 H new ATOM 1746 N THR B 148 6.807 12.450 -2.425 1.00 0.99 N ATOM 1747 CA THR B 148 7.314 11.724 -3.579 1.00 0.74 C ATOM 1748 C THR B 148 7.557 10.256 -3.239 1.00 0.58 C ATOM 1749 O THR B 148 7.373 9.373 -4.079 1.00 1.05 O ATOM 1750 CB THR B 148 8.621 12.360 -4.093 1.00 1.17 C ATOM 1751 OG1 THR B 148 9.510 12.599 -2.992 1.00 1.57 O ATOM 1752 CG2 THR B 148 8.338 13.667 -4.820 1.00 1.79 C ATOM 0 H THR B 148 7.506 13.013 -1.940 1.00 0.99 H new ATOM 0 HA THR B 148 6.558 11.782 -4.362 1.00 0.74 H new ATOM 0 HB THR B 148 9.088 11.669 -4.795 1.00 1.17 H new ATOM 0 HG1 THR B 148 10.438 12.554 -3.305 1.00 1.57 H new ATOM 0 HG21 THR B 148 9.275 14.097 -5.173 1.00 1.79 H new ATOM 0 HG22 THR B 148 7.683 13.476 -5.670 1.00 1.79 H new ATOM 0 HG23 THR B 148 7.853 14.365 -4.138 1.00 1.79 H new ATOM 1760 N GLY B 149 7.961 10.000 -2.006 1.00 0.48 N ATOM 1761 CA GLY B 149 8.168 8.640 -1.569 1.00 0.35 C ATOM 1762 C GLY B 149 9.638 8.295 -1.431 1.00 0.33 C ATOM 1763 O GLY B 149 10.491 8.949 -2.033 1.00 0.39 O ATOM 0 H GLY B 149 8.149 10.712 -1.300 1.00 0.48 H new ATOM 0 HA2 GLY B 149 7.671 8.489 -0.611 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.703 7.958 -2.280 1.00 0.35 H new ATOM 1767 N PRO B 150 9.966 7.245 -0.665 1.00 0.28 N ATOM 1768 CA PRO B 150 11.356 6.837 -0.426 1.00 0.29 C ATOM 1769 C PRO B 150 11.980 6.163 -1.645 1.00 0.30 C ATOM 1770 O PRO B 150 13.149 5.775 -1.628 1.00 0.33 O ATOM 1771 CB PRO B 150 11.233 5.852 0.739 1.00 0.29 C ATOM 1772 CG PRO B 150 9.870 5.268 0.593 1.00 0.26 C ATOM 1773 CD PRO B 150 9.006 6.363 0.027 1.00 0.26 C ATOM 0 HA PRO B 150 12.006 7.686 -0.215 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.002 5.081 0.690 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.348 6.356 1.699 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.886 4.402 -0.069 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.487 4.927 1.555 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.258 5.968 -0.660 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.468 6.895 0.812 1.00 0.26 H new ATOM 1781 N PHE B 151 11.184 6.009 -2.694 1.00 0.31 N ATOM 1782 CA PHE B 151 11.653 5.412 -3.936 1.00 0.36 C ATOM 1783 C PHE B 151 11.906 6.492 -4.983 1.00 0.51 C ATOM 1784 O PHE B 151 12.737 6.326 -5.872 1.00 0.75 O ATOM 1785 CB PHE B 151 10.624 4.407 -4.454 1.00 0.34 C ATOM 1786 CG PHE B 151 10.274 3.349 -3.445 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.268 2.601 -2.837 1.00 0.32 C ATOM 1788 CD2 PHE B 151 8.953 3.121 -3.087 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.955 1.640 -1.898 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.634 2.162 -2.144 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.636 1.422 -1.549 1.00 0.41 C ATOM 0 H PHE B 151 10.204 6.291 -2.709 1.00 0.31 H new ATOM 0 HA PHE B 151 12.591 4.891 -3.742 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.718 4.940 -4.742 1.00 0.34 H new ATOM 0 HB3 PHE B 151 11.013 3.929 -5.353 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.301 2.772 -3.101 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.166 3.698 -3.550 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.740 1.059 -1.436 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.602 1.992 -1.873 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.389 0.673 -0.811 1.00 0.41 H new ATOM 1801 N THR B 152 11.189 7.600 -4.858 1.00 0.66 N ATOM 1802 CA THR B 152 11.325 8.708 -5.790 1.00 0.91 C ATOM 1803 C THR B 152 12.387 9.690 -5.298 1.00 1.58 C ATOM 1804 O THR B 152 13.082 10.324 -6.096 1.00 2.22 O ATOM 1805 CB THR B 152 9.981 9.440 -5.972 1.00 1.40 C ATOM 1806 OG1 THR B 152 8.927 8.477 -6.119 1.00 2.16 O ATOM 1807 CG2 THR B 152 10.012 10.339 -7.200 1.00 1.64 C ATOM 0 H THR B 152 10.505 7.755 -4.117 1.00 0.66 H new ATOM 0 HA THR B 152 11.633 8.302 -6.753 1.00 0.91 H new ATOM 0 HB THR B 152 9.805 10.058 -5.092 1.00 1.40 H new ATOM 0 HG1 THR B 152 8.216 8.669 -5.472 1.00 2.16 H new ATOM 0 HG21 THR B 152 9.052 10.844 -7.306 1.00 1.64 H new ATOM 0 HG22 THR B 152 10.802 11.082 -7.087 1.00 1.64 H new ATOM 0 HG23 THR B 152 10.205 9.736 -8.087 1.00 1.64 H new ATOM 1815 N ALA B 153 12.502 9.791 -3.971 1.00 2.23 N ATOM 1816 CA ALA B 153 13.498 10.639 -3.320 1.00 3.13 C ATOM 1817 C ALA B 153 13.224 12.123 -3.567 1.00 3.79 C ATOM 1818 O ALA B 153 12.123 12.505 -3.974 1.00 4.40 O ATOM 1819 CB ALA B 153 14.906 10.260 -3.768 1.00 3.77 C ATOM 0 H ALA B 153 11.904 9.284 -3.318 1.00 2.23 H new ATOM 0 HA ALA B 153 13.424 10.470 -2.246 1.00 3.13 H new ATOM 0 HB1 ALA B 153 15.632 10.904 -3.271 1.00 3.77 H new ATOM 0 HB2 ALA B 153 15.104 9.221 -3.506 1.00 3.77 H new ATOM 0 HB3 ALA B 153 14.990 10.384 -4.848 1.00 3.77 H new ATOM 1825 N LYS B 154 14.220 12.950 -3.288 1.00 4.06 N ATOM 1826 CA LYS B 154 14.096 14.389 -3.447 1.00 4.97 C ATOM 1827 C LYS B 154 15.020 14.871 -4.554 1.00 5.83 C ATOM 1828 O LYS B 154 14.537 15.071 -5.684 1.00 6.43 O ATOM 1829 CB LYS B 154 14.430 15.100 -2.134 1.00 5.53 C ATOM 1830 CG LYS B 154 13.498 14.733 -0.991 1.00 5.50 C ATOM 1831 CD LYS B 154 13.934 15.378 0.313 1.00 5.47 C ATOM 1832 CE LYS B 154 15.309 14.891 0.745 1.00 6.09 C ATOM 1833 NZ LYS B 154 15.732 15.484 2.040 1.00 6.75 N ATOM 1834 OXT LYS B 154 16.235 15.007 -4.294 1.00 6.18 O ATOM 0 H LYS B 154 15.131 12.644 -2.947 1.00 4.06 H new ATOM 0 HA LYS B 154 13.067 14.625 -3.717 1.00 4.97 H new ATOM 0 HB2 LYS B 154 15.454 14.858 -1.849 1.00 5.53 H new ATOM 0 HB3 LYS B 154 14.390 16.178 -2.293 1.00 5.53 H new ATOM 0 HG2 LYS B 154 12.483 15.049 -1.232 1.00 5.50 H new ATOM 0 HG3 LYS B 154 13.475 13.650 -0.872 1.00 5.50 H new ATOM 0 HD2 LYS B 154 13.951 16.462 0.196 1.00 5.47 H new ATOM 0 HD3 LYS B 154 13.206 15.153 1.092 1.00 5.47 H new ATOM 0 HE2 LYS B 154 15.297 13.804 0.831 1.00 6.09 H new ATOM 0 HE3 LYS B 154 16.040 15.142 -0.024 1.00 6.09 H new ATOM 0 HZ1 LYS B 154 16.674 15.124 2.295 1.00 6.75 H new ATOM 0 HZ2 LYS B 154 15.769 16.520 1.952 1.00 6.75 H new ATOM 0 HZ3 LYS B 154 15.050 15.224 2.780 1.00 6.75 H new TER 1848 LYS B 154 HETATM 1849 CA CA A 141 0.399 6.251 3.975 1.00 0.29 CA