USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1072 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 93 SER OG : rot 134:sc= 0.404 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0.373 USER MOD Set 2.1: A 66 MET CE :methyl 148:sc= -2.42! (180deg=-2.8!) USER MOD Set 2.2: A 117 MET CE :methyl 167:sc= -0.182 (180deg=-0.512) USER MOD Set 3.1: A 65 THR OG1 : rot -72:sc= -0.455 USER MOD Set 3.2: A 68 GLN : amide:sc= 0.516 K(o=0.061,f=-2.2!) USER MOD Set 4.1: A 44 TYR OH : rot 48:sc= 0.545 USER MOD Set 4.2: A 91 ASN : amide:sc= 0.693 K(o=1.2,f=-1.4) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.11 (180deg=-0.61) USER MOD Single : A 5 GLN : amide:sc= -1.01 X(o=-1,f=-0.53) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc=-0.00114 (180deg=-0.0525) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 130:sc= 0.0542 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc=-0.00575 F(o=-1.1,f=-0.0058) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0545 (180deg=-0.379) USER MOD Single : A 18 SER OG : rot 180:sc= -0.89 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.684 F(o=-1.5,f=-0.68) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0462) USER MOD Single : A 48 THR OG1 : rot 7:sc= 0.981 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0231 (180deg=-0.224) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.08) USER MOD Single : A 62 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.56) USER MOD Single : A 67 THR OG1 : rot 62:sc= 1.08 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 140:sc= 0.019 USER MOD Single : A 86 TYR OH : rot -129:sc= 1.21 USER MOD Single : A 90 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.3!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0208 (180deg=-0.25) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -71:sc= -0.771! USER MOD Single : A 101 MET CE :methyl -113:sc= -1.49 (180deg=-3.44!) USER MOD Single : A 105 TYR OH : rot 3:sc= 1.23 USER MOD Single : A 109 LYS NZ :NH3+ -142:sc= 0.422 (180deg=-0.281) USER MOD Single : A 116 TYR OH : rot 46:sc= 1.29 USER MOD Single : A 118 THR OG1 : rot 29:sc= 1.04 USER MOD Single : A 119 TYR OH : rot 47:sc= 0.857 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.0301 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -15.935 -0.745 48.065 1.00 29.36 N ATOM 2 CA GLY A -1 -14.527 -0.898 47.626 1.00 29.54 C ATOM 3 C GLY A -1 -14.415 -1.720 46.360 1.00 29.10 C ATOM 4 O GLY A -1 -15.302 -2.521 46.063 1.00 28.91 O ATOM 0 H1 GLY A -1 -16.013 -0.992 49.072 1.00 29.36 H new ATOM 0 H2 GLY A -1 -16.237 0.240 47.925 1.00 29.36 H new ATOM 0 H3 GLY A -1 -16.544 -1.376 47.506 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -14.090 0.087 47.459 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -13.949 -1.373 48.419 1.00 29.54 H new ATOM 10 N SER A 0 -13.330 -1.513 45.614 1.00 28.99 N ATOM 11 CA SER A 0 -13.069 -2.246 44.378 1.00 28.64 C ATOM 12 C SER A 0 -14.179 -2.012 43.355 1.00 27.50 C ATOM 13 O SER A 0 -14.849 -2.950 42.916 1.00 27.11 O ATOM 14 CB SER A 0 -12.915 -3.741 44.666 1.00 29.29 C ATOM 15 OG SER A 0 -11.888 -3.974 45.620 1.00 29.85 O ATOM 0 H SER A 0 -12.608 -0.832 45.851 1.00 28.99 H new ATOM 0 HA SER A 0 -12.136 -1.873 43.955 1.00 28.64 H new ATOM 0 HB2 SER A 0 -13.858 -4.142 45.037 1.00 29.29 H new ATOM 0 HB3 SER A 0 -12.684 -4.271 43.742 1.00 29.29 H new ATOM 0 HG SER A 0 -11.810 -4.936 45.788 1.00 29.85 H new ATOM 21 N MET A 1 -14.365 -0.756 42.978 1.00 27.04 N ATOM 22 CA MET A 1 -15.386 -0.396 42.008 1.00 26.01 C ATOM 23 C MET A 1 -14.859 -0.594 40.593 1.00 25.09 C ATOM 24 O MET A 1 -13.876 0.034 40.197 1.00 25.06 O ATOM 25 CB MET A 1 -15.829 1.053 42.206 1.00 26.03 C ATOM 26 CG MET A 1 -16.457 1.312 43.564 1.00 26.09 C ATOM 27 SD MET A 1 -16.936 3.036 43.803 1.00 26.08 S ATOM 28 CE MET A 1 -18.154 3.236 42.503 1.00 26.33 C ATOM 0 H MET A 1 -13.821 0.032 43.330 1.00 27.04 H new ATOM 0 HA MET A 1 -16.249 -1.045 42.158 1.00 26.01 H new ATOM 0 HB2 MET A 1 -14.967 1.709 42.082 1.00 26.03 H new ATOM 0 HB3 MET A 1 -16.545 1.316 41.427 1.00 26.03 H new ATOM 0 HG2 MET A 1 -17.336 0.677 43.679 1.00 26.09 H new ATOM 0 HG3 MET A 1 -15.752 1.025 44.345 1.00 26.09 H new ATOM 0 HE1 MET A 1 -18.777 4.104 42.718 1.00 26.33 H new ATOM 0 HE2 MET A 1 -17.647 3.380 41.549 1.00 26.33 H new ATOM 0 HE3 MET A 1 -18.780 2.345 42.451 1.00 26.33 H new ATOM 38 N PRO A 2 -15.510 -1.468 39.814 1.00 24.39 N ATOM 39 CA PRO A 2 -15.050 -1.818 38.468 1.00 23.52 C ATOM 40 C PRO A 2 -15.121 -0.640 37.501 1.00 22.82 C ATOM 41 O PRO A 2 -16.151 0.032 37.396 1.00 22.63 O ATOM 42 CB PRO A 2 -16.023 -2.919 38.033 1.00 23.10 C ATOM 43 CG PRO A 2 -17.241 -2.705 38.861 1.00 23.69 C ATOM 44 CD PRO A 2 -16.750 -2.174 40.177 1.00 24.48 C ATOM 0 HA PRO A 2 -14.004 -2.125 38.467 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -16.251 -2.847 36.970 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -15.600 -3.909 38.202 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -17.920 -1.999 38.383 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -17.792 -3.636 38.995 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -17.476 -1.503 40.636 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -16.562 -2.977 40.890 1.00 24.48 H new ATOM 52 N PRO A 3 -14.016 -0.358 36.800 1.00 22.54 N ATOM 53 CA PRO A 3 -13.991 0.640 35.733 1.00 21.97 C ATOM 54 C PRO A 3 -14.758 0.153 34.510 1.00 21.06 C ATOM 55 O PRO A 3 -14.832 -1.053 34.264 1.00 20.64 O ATOM 56 CB PRO A 3 -12.497 0.791 35.399 1.00 21.96 C ATOM 57 CG PRO A 3 -11.763 0.083 36.487 1.00 22.48 C ATOM 58 CD PRO A 3 -12.698 -0.969 37.004 1.00 22.87 C ATOM 0 HA PRO A 3 -14.458 1.578 36.033 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -12.268 0.356 34.426 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -12.211 1.842 35.354 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -10.844 -0.364 36.110 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -11.479 0.775 37.280 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -12.597 -1.906 36.456 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -12.514 -1.193 38.055 1.00 22.87 H new ATOM 66 N PRO A 4 -15.358 1.077 33.742 1.00 20.84 N ATOM 67 CA PRO A 4 -16.078 0.736 32.510 1.00 20.09 C ATOM 68 C PRO A 4 -15.161 0.071 31.487 1.00 19.53 C ATOM 69 O PRO A 4 -14.395 0.740 30.789 1.00 19.27 O ATOM 70 CB PRO A 4 -16.578 2.090 31.988 1.00 20.21 C ATOM 71 CG PRO A 4 -15.752 3.116 32.688 1.00 21.02 C ATOM 72 CD PRO A 4 -15.391 2.522 34.017 1.00 21.43 C ATOM 0 HA PRO A 4 -16.883 0.023 32.689 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -16.460 2.162 30.907 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -17.638 2.226 32.203 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -14.858 3.356 32.112 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -16.308 4.045 32.814 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -14.427 2.886 34.372 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -16.127 2.770 34.782 1.00 21.43 H new ATOM 80 N GLN A 5 -15.233 -1.249 31.407 1.00 19.48 N ATOM 81 CA GLN A 5 -14.365 -2.013 30.525 1.00 19.08 C ATOM 82 C GLN A 5 -15.149 -2.584 29.356 1.00 18.23 C ATOM 83 O GLN A 5 -16.335 -2.904 29.492 1.00 17.82 O ATOM 84 CB GLN A 5 -13.686 -3.140 31.301 1.00 19.59 C ATOM 85 CG GLN A 5 -12.772 -2.646 32.408 1.00 19.61 C ATOM 86 CD GLN A 5 -12.172 -3.775 33.219 1.00 20.26 C ATOM 87 OE1 GLN A 5 -11.958 -4.877 32.714 1.00 20.54 O ATOM 88 NE2 GLN A 5 -11.898 -3.510 34.483 1.00 20.60 N ATOM 0 H GLN A 5 -15.888 -1.816 31.946 1.00 19.48 H new ATOM 0 HA GLN A 5 -13.602 -1.341 30.131 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -14.451 -3.786 31.733 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -13.107 -3.751 30.608 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -11.969 -2.051 31.972 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -13.334 -1.987 33.070 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -12.091 -2.583 34.863 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -11.494 -4.232 35.079 1.00 20.60 H new ATOM 97 N LYS A 6 -14.481 -2.693 28.208 1.00 18.08 N ATOM 98 CA LYS A 6 -15.080 -3.232 26.990 1.00 17.42 C ATOM 99 C LYS A 6 -16.337 -2.452 26.614 1.00 16.78 C ATOM 100 O LYS A 6 -17.325 -3.021 26.147 1.00 16.87 O ATOM 101 CB LYS A 6 -15.403 -4.722 27.162 1.00 17.87 C ATOM 102 CG LYS A 6 -14.190 -5.586 27.480 1.00 18.15 C ATOM 103 CD LYS A 6 -13.171 -5.562 26.352 1.00 18.50 C ATOM 104 CE LYS A 6 -11.997 -6.489 26.628 1.00 18.81 C ATOM 105 NZ LYS A 6 -11.211 -6.076 27.821 1.00 18.97 N ATOM 0 H LYS A 6 -13.508 -2.409 28.097 1.00 18.08 H new ATOM 0 HA LYS A 6 -14.358 -3.127 26.180 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -16.136 -4.834 27.961 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -15.869 -5.090 26.248 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -13.723 -5.233 28.400 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -14.511 -6.612 27.659 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -13.654 -5.856 25.420 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -12.805 -4.544 26.215 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -12.367 -7.504 26.774 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -11.343 -6.511 25.756 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -10.367 -6.678 27.906 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -10.919 -5.083 27.718 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -11.796 -6.178 28.675 1.00 18.97 H new ATOM 119 N ILE A 7 -16.289 -1.143 26.825 1.00 16.28 N ATOM 120 CA ILE A 7 -17.434 -0.282 26.556 1.00 15.80 C ATOM 121 C ILE A 7 -17.427 0.262 25.120 1.00 15.32 C ATOM 122 O ILE A 7 -18.374 0.015 24.376 1.00 15.18 O ATOM 123 CB ILE A 7 -17.516 0.892 27.564 1.00 15.71 C ATOM 124 CG1 ILE A 7 -17.761 0.366 28.982 1.00 16.07 C ATOM 125 CG2 ILE A 7 -18.610 1.874 27.167 1.00 15.48 C ATOM 126 CD1 ILE A 7 -19.076 -0.365 29.149 1.00 16.36 C ATOM 0 H ILE A 7 -15.468 -0.654 27.182 1.00 16.28 H new ATOM 0 HA ILE A 7 -18.319 -0.907 26.676 1.00 15.80 H new ATOM 0 HB ILE A 7 -16.562 1.419 27.547 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -16.947 -0.305 29.255 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -17.731 1.203 29.679 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -18.647 2.689 27.890 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -18.396 2.277 26.177 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -19.571 1.360 27.149 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -19.174 -0.706 30.180 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -19.899 0.308 28.909 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -19.102 -1.224 28.479 1.00 16.36 H new ATOM 138 N PRO A 8 -16.372 0.991 24.692 1.00 15.19 N ATOM 139 CA PRO A 8 -16.366 1.651 23.383 1.00 14.91 C ATOM 140 C PRO A 8 -16.194 0.675 22.221 1.00 14.32 C ATOM 141 O PRO A 8 -15.070 0.363 21.810 1.00 14.51 O ATOM 142 CB PRO A 8 -15.171 2.598 23.472 1.00 15.11 C ATOM 143 CG PRO A 8 -14.239 1.936 24.423 1.00 15.30 C ATOM 144 CD PRO A 8 -15.107 1.222 25.421 1.00 15.48 C ATOM 0 HA PRO A 8 -17.314 2.150 23.181 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -14.706 2.743 22.497 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -15.471 3.582 23.831 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -13.584 1.236 23.904 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -13.598 2.668 24.915 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -14.655 0.284 25.744 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -15.266 1.824 26.315 1.00 15.48 H new ATOM 152 N SER A 9 -17.311 0.192 21.697 1.00 13.73 N ATOM 153 CA SER A 9 -17.295 -0.650 20.515 1.00 13.20 C ATOM 154 C SER A 9 -17.173 0.229 19.276 1.00 12.19 C ATOM 155 O SER A 9 -18.155 0.486 18.578 1.00 11.80 O ATOM 156 CB SER A 9 -18.566 -1.505 20.449 1.00 13.42 C ATOM 157 OG SER A 9 -18.513 -2.428 19.374 1.00 13.76 O ATOM 0 H SER A 9 -18.241 0.371 22.075 1.00 13.73 H new ATOM 0 HA SER A 9 -16.440 -1.324 20.562 1.00 13.20 H new ATOM 0 HB2 SER A 9 -18.693 -2.044 21.388 1.00 13.42 H new ATOM 0 HB3 SER A 9 -19.436 -0.858 20.333 1.00 13.42 H new ATOM 0 HG SER A 9 -19.336 -2.960 19.359 1.00 13.76 H new ATOM 163 N VAL A 10 -15.962 0.706 19.025 1.00 11.94 N ATOM 164 CA VAL A 10 -15.714 1.630 17.933 1.00 11.10 C ATOM 165 C VAL A 10 -15.948 0.968 16.582 1.00 10.38 C ATOM 166 O VAL A 10 -15.680 -0.221 16.393 1.00 10.56 O ATOM 167 CB VAL A 10 -14.285 2.211 17.985 1.00 11.34 C ATOM 168 CG1 VAL A 10 -14.099 3.063 19.230 1.00 11.49 C ATOM 169 CG2 VAL A 10 -13.240 1.103 17.936 1.00 11.93 C ATOM 0 H VAL A 10 -15.133 0.465 19.568 1.00 11.94 H new ATOM 0 HA VAL A 10 -16.423 2.449 18.053 1.00 11.10 H new ATOM 0 HB VAL A 10 -14.148 2.843 17.108 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -13.085 3.464 19.249 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -14.814 3.886 19.218 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -14.264 2.452 20.117 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -12.243 1.541 17.974 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -13.376 0.436 18.788 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -13.353 0.537 17.011 1.00 11.93 H new ATOM 179 N ARG A 11 -16.469 1.742 15.655 1.00 9.76 N ATOM 180 CA ARG A 11 -16.720 1.267 14.313 1.00 9.19 C ATOM 181 C ARG A 11 -15.534 1.609 13.423 1.00 8.44 C ATOM 182 O ARG A 11 -15.133 2.769 13.339 1.00 8.32 O ATOM 183 CB ARG A 11 -18.003 1.901 13.769 1.00 9.37 C ATOM 184 CG ARG A 11 -18.328 1.504 12.340 1.00 9.61 C ATOM 185 CD ARG A 11 -19.679 2.045 11.906 1.00 10.18 C ATOM 186 NE ARG A 11 -20.768 1.477 12.696 1.00 10.69 N ATOM 187 CZ ARG A 11 -22.043 1.842 12.586 1.00 11.43 C ATOM 188 NH1 ARG A 11 -22.396 2.792 11.727 1.00 11.75 N ATOM 189 NH2 ARG A 11 -22.964 1.251 13.335 1.00 12.04 N ATOM 0 H ARG A 11 -16.730 2.716 15.810 1.00 9.76 H new ATOM 0 HA ARG A 11 -16.849 0.185 14.326 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -18.837 1.620 14.412 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -17.911 2.986 13.822 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -17.553 1.879 11.672 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -18.325 0.417 12.253 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -19.685 3.130 12.005 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -19.839 1.821 10.851 1.00 10.18 H new ATOM 0 HE ARG A 11 -20.536 0.753 13.376 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -21.689 3.245 11.148 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -23.374 3.068 11.646 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -22.694 0.519 13.993 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -23.942 1.528 13.254 1.00 12.04 H new ATOM 203 N PRO A 12 -14.944 0.585 12.778 1.00 8.19 N ATOM 204 CA PRO A 12 -13.819 0.757 11.847 1.00 7.75 C ATOM 205 C PRO A 12 -14.093 1.834 10.804 1.00 6.80 C ATOM 206 O PRO A 12 -13.166 2.487 10.329 1.00 6.68 O ATOM 207 CB PRO A 12 -13.703 -0.612 11.177 1.00 8.08 C ATOM 208 CG PRO A 12 -14.233 -1.569 12.184 1.00 8.79 C ATOM 209 CD PRO A 12 -15.319 -0.836 12.924 1.00 8.66 C ATOM 0 HA PRO A 12 -12.911 1.077 12.358 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -14.279 -0.651 10.252 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -12.669 -0.841 10.919 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -14.626 -2.464 11.702 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -13.447 -1.893 12.866 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -16.301 -1.037 12.496 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -15.361 -1.134 13.972 1.00 8.66 H new ATOM 217 N PHE A 13 -15.369 2.001 10.460 1.00 6.42 N ATOM 218 CA PHE A 13 -15.814 3.072 9.574 1.00 5.76 C ATOM 219 C PHE A 13 -15.045 3.023 8.263 1.00 4.90 C ATOM 220 O PHE A 13 -14.182 3.865 7.985 1.00 4.75 O ATOM 221 CB PHE A 13 -15.653 4.436 10.263 1.00 6.03 C ATOM 222 CG PHE A 13 -16.357 5.564 9.559 1.00 7.08 C ATOM 223 CD1 PHE A 13 -17.734 5.552 9.411 1.00 7.73 C ATOM 224 CD2 PHE A 13 -15.643 6.638 9.055 1.00 7.67 C ATOM 225 CE1 PHE A 13 -18.387 6.589 8.772 1.00 8.84 C ATOM 226 CE2 PHE A 13 -16.290 7.678 8.415 1.00 8.79 C ATOM 227 CZ PHE A 13 -17.663 7.652 8.272 1.00 9.33 C ATOM 0 H PHE A 13 -16.122 1.397 10.788 1.00 6.42 H new ATOM 0 HA PHE A 13 -16.872 2.931 9.351 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -16.033 4.364 11.282 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -14.591 4.672 10.335 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -18.305 4.722 9.800 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -14.569 6.663 9.163 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -19.461 6.567 8.664 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -15.722 8.511 8.027 1.00 8.79 H new ATOM 0 HZ PHE A 13 -18.170 8.463 7.769 1.00 9.33 H new ATOM 237 N LYS A 14 -15.366 2.020 7.461 1.00 4.79 N ATOM 238 CA LYS A 14 -14.685 1.782 6.199 1.00 4.42 C ATOM 239 C LYS A 14 -15.193 2.740 5.130 1.00 3.77 C ATOM 240 O LYS A 14 -15.746 2.322 4.108 1.00 4.11 O ATOM 241 CB LYS A 14 -14.898 0.333 5.760 1.00 5.56 C ATOM 242 CG LYS A 14 -14.503 -0.680 6.819 1.00 6.23 C ATOM 243 CD LYS A 14 -14.811 -2.098 6.377 1.00 6.88 C ATOM 244 CE LYS A 14 -14.468 -3.103 7.463 1.00 7.76 C ATOM 245 NZ LYS A 14 -14.736 -4.498 7.031 1.00 8.26 N ATOM 0 H LYS A 14 -16.106 1.349 7.667 1.00 4.79 H new ATOM 0 HA LYS A 14 -13.618 1.957 6.336 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -15.947 0.189 5.503 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -14.320 0.146 4.855 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -13.438 -0.588 7.032 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -15.034 -0.464 7.746 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -15.868 -2.180 6.123 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -14.247 -2.330 5.473 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -13.417 -3.002 7.732 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -15.049 -2.882 8.358 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -14.489 -5.153 7.800 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -15.744 -4.602 6.798 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -14.163 -4.718 6.192 1.00 8.26 H new ATOM 259 N GLN A 15 -15.018 4.025 5.389 1.00 3.29 N ATOM 260 CA GLN A 15 -15.413 5.065 4.458 1.00 3.10 C ATOM 261 C GLN A 15 -14.596 4.963 3.178 1.00 2.14 C ATOM 262 O GLN A 15 -13.379 4.760 3.216 1.00 2.46 O ATOM 263 CB GLN A 15 -15.230 6.445 5.092 1.00 3.83 C ATOM 264 CG GLN A 15 -13.813 6.714 5.571 1.00 4.82 C ATOM 265 CD GLN A 15 -13.645 8.093 6.174 1.00 5.82 C ATOM 266 OE1 GLN A 15 -14.409 9.057 5.685 1.00 6.53 O flip ATOM 267 NE2 GLN A 15 -12.824 8.291 7.068 1.00 6.14 N flip ATOM 0 H GLN A 15 -14.598 4.375 6.250 1.00 3.29 H new ATOM 0 HA GLN A 15 -16.467 4.931 4.214 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -15.510 7.209 4.366 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -15.914 6.541 5.935 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -13.537 5.963 6.312 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -13.125 6.603 4.733 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -12.254 7.520 7.417 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -12.713 9.226 7.460 1.00 6.14 H new ATOM 276 N ARG A 16 -15.273 5.084 2.055 1.00 1.86 N ATOM 277 CA ARG A 16 -14.622 5.012 0.764 1.00 1.88 C ATOM 278 C ARG A 16 -13.872 6.304 0.489 1.00 1.53 C ATOM 279 O ARG A 16 -14.456 7.388 0.502 1.00 1.61 O ATOM 280 CB ARG A 16 -15.659 4.748 -0.328 1.00 2.83 C ATOM 281 CG ARG A 16 -15.065 4.572 -1.716 1.00 3.53 C ATOM 282 CD ARG A 16 -16.132 4.167 -2.718 1.00 4.61 C ATOM 283 NE ARG A 16 -16.816 2.939 -2.308 1.00 5.06 N ATOM 284 CZ ARG A 16 -18.135 2.752 -2.390 1.00 6.06 C ATOM 285 NH1 ARG A 16 -18.918 3.707 -2.873 1.00 6.69 N ATOM 286 NH2 ARG A 16 -18.670 1.607 -1.985 1.00 6.68 N ATOM 0 H ARG A 16 -16.281 5.234 2.011 1.00 1.86 H new ATOM 0 HA ARG A 16 -13.906 4.190 0.768 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -16.224 3.852 -0.069 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -16.367 5.576 -0.350 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -14.596 5.503 -2.035 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -14.282 3.814 -1.687 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -16.859 4.972 -2.822 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -15.676 4.021 -3.697 1.00 4.61 H new ATOM 0 HE ARG A 16 -16.248 2.178 -1.936 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -18.513 4.590 -3.184 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -19.925 3.559 -2.933 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -18.073 0.869 -1.611 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -19.678 1.465 -2.048 1.00 6.68 H new ATOM 300 N LYS A 17 -12.579 6.186 0.256 1.00 1.34 N ATOM 301 CA LYS A 17 -11.749 7.347 -0.005 1.00 1.09 C ATOM 302 C LYS A 17 -11.563 7.500 -1.503 1.00 1.00 C ATOM 303 O LYS A 17 -11.114 6.574 -2.181 1.00 1.08 O ATOM 304 CB LYS A 17 -10.402 7.201 0.703 1.00 1.13 C ATOM 305 CG LYS A 17 -10.538 6.927 2.193 1.00 1.70 C ATOM 306 CD LYS A 17 -9.186 6.740 2.858 1.00 2.23 C ATOM 307 CE LYS A 17 -9.335 6.324 4.311 1.00 3.20 C ATOM 308 NZ LYS A 17 -10.040 5.020 4.444 1.00 3.96 N ATOM 0 H LYS A 17 -12.080 5.297 0.242 1.00 1.34 H new ATOM 0 HA LYS A 17 -12.235 8.242 0.383 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.841 6.389 0.240 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -9.822 8.112 0.559 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -11.065 7.754 2.668 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -11.144 6.034 2.344 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -8.615 5.984 2.318 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -8.619 7.669 2.800 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -8.350 6.253 4.771 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -9.886 7.092 4.854 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -9.860 4.623 5.388 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -11.062 5.164 4.317 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -9.691 4.361 3.719 1.00 3.96 H new ATOM 322 N SER A 18 -11.923 8.664 -2.013 1.00 0.92 N ATOM 323 CA SER A 18 -11.960 8.892 -3.443 1.00 0.91 C ATOM 324 C SER A 18 -10.608 9.345 -3.969 1.00 0.80 C ATOM 325 O SER A 18 -9.664 9.530 -3.199 1.00 0.72 O ATOM 326 CB SER A 18 -13.019 9.945 -3.764 1.00 0.97 C ATOM 327 OG SER A 18 -12.694 11.192 -3.170 1.00 0.91 O ATOM 0 H SER A 18 -12.196 9.471 -1.452 1.00 0.92 H new ATOM 0 HA SER A 18 -12.212 7.951 -3.932 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.103 10.064 -4.844 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.991 9.609 -3.404 1.00 0.97 H new ATOM 0 HG SER A 18 -13.386 11.850 -3.391 1.00 0.91 H new ATOM 333 N LEU A 19 -10.529 9.542 -5.276 1.00 0.83 N ATOM 334 CA LEU A 19 -9.317 10.033 -5.906 1.00 0.79 C ATOM 335 C LEU A 19 -8.962 11.397 -5.333 1.00 0.74 C ATOM 336 O LEU A 19 -7.824 11.650 -4.933 1.00 0.66 O ATOM 337 CB LEU A 19 -9.527 10.127 -7.419 1.00 0.91 C ATOM 338 CG LEU A 19 -8.452 10.892 -8.186 1.00 0.95 C ATOM 339 CD1 LEU A 19 -7.106 10.195 -8.077 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.854 11.056 -9.642 1.00 1.11 C ATOM 0 H LEU A 19 -11.297 9.367 -5.924 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.496 9.344 -5.708 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.587 9.117 -7.823 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.490 10.603 -7.606 1.00 0.91 H new ATOM 0 HG LEU A 19 -8.355 11.882 -7.740 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.358 10.760 -8.632 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.811 10.134 -7.029 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.182 9.190 -8.491 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -8.077 11.604 -10.175 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.983 10.074 -10.097 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.792 11.608 -9.701 1.00 1.11 H new ATOM 352 N ALA A 20 -9.963 12.259 -5.278 1.00 0.80 N ATOM 353 CA ALA A 20 -9.808 13.596 -4.736 1.00 0.81 C ATOM 354 C ALA A 20 -9.398 13.563 -3.270 1.00 0.72 C ATOM 355 O ALA A 20 -8.562 14.354 -2.837 1.00 0.71 O ATOM 356 CB ALA A 20 -11.099 14.373 -4.915 1.00 0.94 C ATOM 0 H ALA A 20 -10.905 12.051 -5.608 1.00 0.80 H new ATOM 0 HA ALA A 20 -9.009 14.096 -5.283 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.979 15.377 -4.507 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.340 14.439 -5.976 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.907 13.862 -4.391 1.00 0.94 H new ATOM 362 N ILE A 21 -9.974 12.642 -2.507 1.00 0.71 N ATOM 363 CA ILE A 21 -9.608 12.505 -1.106 1.00 0.69 C ATOM 364 C ILE A 21 -8.161 12.036 -0.973 1.00 0.56 C ATOM 365 O ILE A 21 -7.438 12.471 -0.074 1.00 0.53 O ATOM 366 CB ILE A 21 -10.540 11.537 -0.350 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.961 12.109 -0.291 1.00 0.97 C ATOM 368 CG2 ILE A 21 -10.005 11.285 1.053 1.00 0.88 C ATOM 369 CD1 ILE A 21 -12.967 11.189 0.365 1.00 1.64 C ATOM 0 H ILE A 21 -10.687 11.988 -2.830 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.715 13.491 -0.654 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.573 10.587 -0.884 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.939 13.054 0.252 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.294 12.332 -1.305 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.670 10.600 1.579 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -9.009 10.846 0.989 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.952 12.228 1.597 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -13.948 11.665 0.368 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -13.020 10.253 -0.190 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -12.659 10.986 1.391 1.00 1.64 H new ATOM 381 N ARG A 22 -7.732 11.181 -1.895 1.00 0.52 N ATOM 382 CA ARG A 22 -6.359 10.688 -1.884 1.00 0.44 C ATOM 383 C ARG A 22 -5.408 11.834 -2.176 1.00 0.40 C ATOM 384 O ARG A 22 -4.339 11.946 -1.576 1.00 0.39 O ATOM 385 CB ARG A 22 -6.162 9.574 -2.912 1.00 0.45 C ATOM 386 CG ARG A 22 -6.895 8.284 -2.588 1.00 0.71 C ATOM 387 CD ARG A 22 -6.439 7.698 -1.263 1.00 1.22 C ATOM 388 NE ARG A 22 -6.934 6.338 -1.069 1.00 1.53 N ATOM 389 CZ ARG A 22 -6.866 5.678 0.087 1.00 2.00 C ATOM 390 NH1 ARG A 22 -6.434 6.287 1.185 1.00 2.59 N ATOM 391 NH2 ARG A 22 -7.275 4.417 0.156 1.00 2.26 N ATOM 0 H ARG A 22 -8.309 10.817 -2.653 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.149 10.276 -0.897 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.495 9.932 -3.886 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.097 9.360 -2.998 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -7.968 8.474 -2.552 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -6.726 7.559 -3.384 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -5.350 7.697 -1.222 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -6.788 8.331 -0.447 1.00 1.22 H new ATOM 0 HE ARG A 22 -7.358 5.864 -1.867 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.151 7.266 1.147 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -6.385 5.775 2.066 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -7.641 3.953 -0.675 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -7.223 3.912 1.041 1.00 2.26 H new ATOM 405 N GLN A 23 -5.828 12.697 -3.093 1.00 0.46 N ATOM 406 CA GLN A 23 -5.083 13.900 -3.416 1.00 0.51 C ATOM 407 C GLN A 23 -4.945 14.788 -2.185 1.00 0.50 C ATOM 408 O GLN A 23 -3.948 15.483 -2.031 1.00 0.52 O ATOM 409 CB GLN A 23 -5.773 14.675 -4.540 1.00 0.68 C ATOM 410 CG GLN A 23 -5.742 13.967 -5.884 1.00 1.29 C ATOM 411 CD GLN A 23 -6.582 14.672 -6.932 1.00 1.51 C ATOM 412 OE1 GLN A 23 -7.088 13.916 -7.891 1.00 2.16 O flip ATOM 413 NE2 GLN A 23 -6.765 15.889 -6.886 1.00 1.97 N flip ATOM 0 H GLN A 23 -6.689 12.581 -3.628 1.00 0.46 H new ATOM 0 HA GLN A 23 -4.089 13.604 -3.752 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -6.811 14.856 -4.260 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -5.296 15.650 -4.642 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.711 13.902 -6.233 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -6.102 12.946 -5.761 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -6.357 16.438 -6.129 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -7.324 16.348 -7.605 1.00 1.97 H new ATOM 422 N GLU A 24 -5.951 14.762 -1.310 1.00 0.53 N ATOM 423 CA GLU A 24 -5.913 15.542 -0.080 1.00 0.59 C ATOM 424 C GLU A 24 -4.973 14.908 0.940 1.00 0.55 C ATOM 425 O GLU A 24 -4.148 15.595 1.541 1.00 0.54 O ATOM 426 CB GLU A 24 -7.318 15.688 0.503 1.00 0.71 C ATOM 427 CG GLU A 24 -7.356 16.285 1.904 1.00 1.20 C ATOM 428 CD GLU A 24 -6.813 17.699 1.970 1.00 2.01 C ATOM 429 OE1 GLU A 24 -7.394 18.595 1.318 1.00 2.49 O ATOM 430 OE2 GLU A 24 -5.809 17.922 2.678 1.00 2.83 O ATOM 0 H GLU A 24 -6.799 14.209 -1.433 1.00 0.53 H new ATOM 0 HA GLU A 24 -5.531 16.535 -0.319 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.912 16.315 -0.163 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.793 14.707 0.526 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -8.385 16.281 2.265 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -6.780 15.650 2.577 1.00 1.20 H new ATOM 437 N GLU A 25 -5.100 13.601 1.132 1.00 0.56 N ATOM 438 CA GLU A 25 -4.239 12.889 2.068 1.00 0.56 C ATOM 439 C GLU A 25 -2.778 13.079 1.686 1.00 0.49 C ATOM 440 O GLU A 25 -1.951 13.444 2.519 1.00 0.50 O ATOM 441 CB GLU A 25 -4.567 11.395 2.088 1.00 0.62 C ATOM 442 CG GLU A 25 -5.967 11.060 2.570 1.00 1.29 C ATOM 443 CD GLU A 25 -6.185 9.563 2.678 1.00 1.57 C ATOM 444 OE1 GLU A 25 -6.407 8.915 1.639 1.00 1.87 O ATOM 445 OE2 GLU A 25 -6.117 9.029 3.808 1.00 2.30 O ATOM 0 H GLU A 25 -5.786 13.016 0.656 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.414 13.300 3.062 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -4.438 10.995 1.082 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -3.846 10.887 2.728 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -6.137 11.523 3.542 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -6.699 11.485 1.883 1.00 1.29 H new ATOM 452 N VAL A 26 -2.478 12.876 0.410 1.00 0.44 N ATOM 453 CA VAL A 26 -1.121 13.034 -0.088 1.00 0.42 C ATOM 454 C VAL A 26 -0.682 14.492 -0.003 1.00 0.44 C ATOM 455 O VAL A 26 0.474 14.782 0.300 1.00 0.46 O ATOM 456 CB VAL A 26 -0.995 12.508 -1.537 1.00 0.43 C ATOM 457 CG1 VAL A 26 -0.942 13.626 -2.572 1.00 1.21 C ATOM 458 CG2 VAL A 26 0.216 11.602 -1.659 1.00 0.85 C ATOM 0 H VAL A 26 -3.158 12.601 -0.299 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.460 12.440 0.543 1.00 0.42 H new ATOM 0 HB VAL A 26 -1.898 11.936 -1.750 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -0.854 13.195 -3.569 1.00 1.21 H new ATOM 0 HG12 VAL A 26 -1.854 14.220 -2.513 1.00 1.21 H new ATOM 0 HG13 VAL A 26 -0.080 14.264 -2.375 1.00 1.21 H new ATOM 0 HG21 VAL A 26 0.296 11.237 -2.683 1.00 0.85 H new ATOM 0 HG22 VAL A 26 1.116 12.161 -1.402 1.00 0.85 H new ATOM 0 HG23 VAL A 26 0.108 10.756 -0.980 1.00 0.85 H new ATOM 468 N ALA A 27 -1.618 15.396 -0.261 1.00 0.46 N ATOM 469 CA ALA A 27 -1.359 16.829 -0.145 1.00 0.51 C ATOM 470 C ALA A 27 -0.919 17.178 1.268 1.00 0.54 C ATOM 471 O ALA A 27 0.047 17.914 1.464 1.00 0.59 O ATOM 472 CB ALA A 27 -2.593 17.635 -0.524 1.00 0.55 C ATOM 0 H ALA A 27 -2.567 15.163 -0.553 1.00 0.46 H new ATOM 0 HA ALA A 27 -0.555 17.084 -0.836 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -2.376 18.699 -0.430 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.872 17.411 -1.554 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -3.417 17.373 0.140 1.00 0.55 H new ATOM 478 N GLY A 28 -1.630 16.640 2.247 1.00 0.54 N ATOM 479 CA GLY A 28 -1.283 16.873 3.634 1.00 0.59 C ATOM 480 C GLY A 28 0.020 16.205 4.018 1.00 0.58 C ATOM 481 O GLY A 28 0.875 16.820 4.654 1.00 0.65 O ATOM 0 H GLY A 28 -2.445 16.043 2.105 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.206 17.946 3.812 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.083 16.501 4.274 1.00 0.59 H new ATOM 485 N ILE A 29 0.178 14.950 3.618 1.00 0.52 N ATOM 486 CA ILE A 29 1.384 14.187 3.926 1.00 0.53 C ATOM 487 C ILE A 29 2.627 14.841 3.326 1.00 0.53 C ATOM 488 O ILE A 29 3.614 15.063 4.025 1.00 0.58 O ATOM 489 CB ILE A 29 1.275 12.731 3.416 1.00 0.51 C ATOM 490 CG1 ILE A 29 0.128 12.008 4.126 1.00 0.53 C ATOM 491 CG2 ILE A 29 2.587 11.986 3.630 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.247 10.688 3.488 1.00 0.53 C ATOM 0 H ILE A 29 -0.517 14.435 3.077 1.00 0.52 H new ATOM 0 HA ILE A 29 1.480 14.176 5.012 1.00 0.53 H new ATOM 0 HB ILE A 29 1.067 12.754 2.346 1.00 0.51 H new ATOM 0 HG12 ILE A 29 0.408 11.833 5.165 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -0.747 12.657 4.137 1.00 0.53 H new ATOM 0 HG21 ILE A 29 2.489 10.964 3.264 1.00 0.57 H new ATOM 0 HG22 ILE A 29 3.385 12.491 3.086 1.00 0.57 H new ATOM 0 HG23 ILE A 29 2.827 11.970 4.693 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.066 10.234 4.046 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -0.559 10.858 2.458 1.00 0.53 H new ATOM 0 HD13 ILE A 29 0.614 10.020 3.501 1.00 0.53 H new ATOM 504 N ARG A 30 2.571 15.170 2.042 1.00 0.53 N ATOM 505 CA ARG A 30 3.722 15.749 1.357 1.00 0.59 C ATOM 506 C ARG A 30 4.013 17.163 1.851 1.00 0.67 C ATOM 507 O ARG A 30 5.145 17.638 1.755 1.00 0.74 O ATOM 508 CB ARG A 30 3.516 15.752 -0.161 1.00 0.66 C ATOM 509 CG ARG A 30 3.545 14.363 -0.782 1.00 1.04 C ATOM 510 CD ARG A 30 3.534 14.425 -2.301 1.00 1.50 C ATOM 511 NE ARG A 30 4.666 15.192 -2.826 1.00 1.96 N ATOM 512 CZ ARG A 30 5.191 15.025 -4.040 1.00 2.66 C ATOM 513 NH1 ARG A 30 4.730 14.080 -4.849 1.00 3.06 N ATOM 514 NH2 ARG A 30 6.193 15.795 -4.439 1.00 3.31 N ATOM 0 H ARG A 30 1.746 15.047 1.455 1.00 0.53 H new ATOM 0 HA ARG A 30 4.584 15.123 1.590 1.00 0.59 H new ATOM 0 HB2 ARG A 30 2.560 16.223 -0.389 1.00 0.66 H new ATOM 0 HB3 ARG A 30 4.291 16.364 -0.623 1.00 0.66 H new ATOM 0 HG2 ARG A 30 4.436 13.833 -0.446 1.00 1.04 H new ATOM 0 HG3 ARG A 30 2.684 13.791 -0.435 1.00 1.04 H new ATOM 0 HD2 ARG A 30 3.563 13.413 -2.706 1.00 1.50 H new ATOM 0 HD3 ARG A 30 2.602 14.877 -2.639 1.00 1.50 H new ATOM 0 HE ARG A 30 5.081 15.902 -2.222 1.00 1.96 H new ATOM 0 HH11 ARG A 30 3.968 13.474 -4.544 1.00 3.06 H new ATOM 0 HH12 ARG A 30 5.137 13.959 -5.776 1.00 3.06 H new ATOM 0 HH21 ARG A 30 6.562 16.515 -3.817 1.00 3.31 H new ATOM 0 HH22 ARG A 30 6.595 15.668 -5.368 1.00 3.31 H new ATOM 528 N ALA A 31 2.995 17.832 2.377 1.00 0.69 N ATOM 529 CA ALA A 31 3.172 19.171 2.921 1.00 0.81 C ATOM 530 C ALA A 31 3.774 19.115 4.320 1.00 0.80 C ATOM 531 O ALA A 31 4.690 19.871 4.644 1.00 0.90 O ATOM 532 CB ALA A 31 1.849 19.918 2.950 1.00 0.91 C ATOM 0 H ALA A 31 2.043 17.471 2.438 1.00 0.69 H new ATOM 0 HA ALA A 31 3.862 19.708 2.270 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.004 20.916 3.360 1.00 0.91 H new ATOM 0 HB2 ALA A 31 1.455 19.999 1.937 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.139 19.376 3.574 1.00 0.91 H new ATOM 538 N LYS A 32 3.265 18.205 5.141 1.00 0.71 N ATOM 539 CA LYS A 32 3.716 18.093 6.522 1.00 0.74 C ATOM 540 C LYS A 32 5.048 17.370 6.614 1.00 0.67 C ATOM 541 O LYS A 32 5.928 17.770 7.381 1.00 0.67 O ATOM 542 CB LYS A 32 2.677 17.358 7.372 1.00 0.78 C ATOM 543 CG LYS A 32 1.390 18.139 7.584 1.00 1.55 C ATOM 544 CD LYS A 32 0.385 17.355 8.418 1.00 1.87 C ATOM 545 CE LYS A 32 0.958 16.966 9.773 1.00 2.30 C ATOM 546 NZ LYS A 32 -0.054 16.306 10.640 1.00 3.00 N ATOM 0 H LYS A 32 2.542 17.536 4.876 1.00 0.71 H new ATOM 0 HA LYS A 32 3.844 19.106 6.904 1.00 0.74 H new ATOM 0 HB2 LYS A 32 2.439 16.407 6.895 1.00 0.78 H new ATOM 0 HB3 LYS A 32 3.114 17.127 8.343 1.00 0.78 H new ATOM 0 HG2 LYS A 32 1.615 19.084 8.079 1.00 1.55 H new ATOM 0 HG3 LYS A 32 0.949 18.383 6.617 1.00 1.55 H new ATOM 0 HD2 LYS A 32 -0.514 17.954 8.562 1.00 1.87 H new ATOM 0 HD3 LYS A 32 0.086 16.457 7.878 1.00 1.87 H new ATOM 0 HE2 LYS A 32 1.804 16.295 9.629 1.00 2.30 H new ATOM 0 HE3 LYS A 32 1.339 17.856 10.274 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 0.379 16.058 11.552 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -0.851 16.955 10.800 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 -0.399 15.442 10.175 1.00 3.00 H new ATOM 560 N PHE A 33 5.201 16.310 5.834 1.00 0.62 N ATOM 561 CA PHE A 33 6.391 15.478 5.912 1.00 0.56 C ATOM 562 C PHE A 33 6.988 15.227 4.526 1.00 0.50 C ATOM 563 O PHE A 33 6.764 14.176 3.931 1.00 0.47 O ATOM 564 CB PHE A 33 6.058 14.136 6.574 1.00 0.56 C ATOM 565 CG PHE A 33 5.391 14.264 7.913 1.00 0.68 C ATOM 566 CD1 PHE A 33 6.096 14.725 9.013 1.00 1.21 C ATOM 567 CD2 PHE A 33 4.057 13.926 8.071 1.00 1.42 C ATOM 568 CE1 PHE A 33 5.484 14.845 10.245 1.00 1.30 C ATOM 569 CE2 PHE A 33 3.439 14.044 9.301 1.00 1.49 C ATOM 570 CZ PHE A 33 4.153 14.504 10.389 1.00 0.93 C ATOM 0 H PHE A 33 4.517 16.007 5.141 1.00 0.62 H new ATOM 0 HA PHE A 33 7.127 16.011 6.514 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.409 13.566 5.909 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.977 13.562 6.691 1.00 0.56 H new ATOM 0 HD1 PHE A 33 7.137 14.994 8.906 1.00 1.21 H new ATOM 0 HD2 PHE A 33 3.494 13.566 7.223 1.00 1.42 H new ATOM 0 HE1 PHE A 33 6.045 15.205 11.095 1.00 1.30 H new ATOM 0 HE2 PHE A 33 2.398 13.777 9.411 1.00 1.49 H new ATOM 0 HZ PHE A 33 3.672 14.597 11.351 1.00 0.93 H new ATOM 580 N PRO A 34 7.755 16.191 3.989 1.00 0.55 N ATOM 581 CA PRO A 34 8.474 16.010 2.722 1.00 0.55 C ATOM 582 C PRO A 34 9.574 14.957 2.833 1.00 0.48 C ATOM 583 O PRO A 34 10.029 14.400 1.832 1.00 0.52 O ATOM 584 CB PRO A 34 9.087 17.385 2.453 1.00 0.68 C ATOM 585 CG PRO A 34 9.145 18.052 3.783 1.00 0.74 C ATOM 586 CD PRO A 34 7.964 17.537 4.553 1.00 0.66 C ATOM 0 HA PRO A 34 7.814 15.662 1.928 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.081 17.294 2.014 1.00 0.68 H new ATOM 0 HB3 PRO A 34 8.480 17.957 1.752 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.078 17.819 4.296 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.101 19.136 3.679 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.167 17.498 5.623 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.088 18.171 4.418 1.00 0.66 H new ATOM 594 N ASN A 35 9.999 14.703 4.063 1.00 0.44 N ATOM 595 CA ASN A 35 11.027 13.703 4.340 1.00 0.44 C ATOM 596 C ASN A 35 10.428 12.305 4.399 1.00 0.38 C ATOM 597 O ASN A 35 11.150 11.307 4.354 1.00 0.43 O ATOM 598 CB ASN A 35 11.733 14.010 5.660 1.00 0.54 C ATOM 599 CG ASN A 35 12.536 15.293 5.609 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.009 16.381 5.850 1.00 2.16 O ATOM 601 ND2 ASN A 35 13.819 15.173 5.313 1.00 1.83 N ATOM 0 H ASN A 35 9.646 15.179 4.893 1.00 0.44 H new ATOM 0 HA ASN A 35 11.752 13.741 3.527 1.00 0.44 H new ATOM 0 HB2 ASN A 35 10.992 14.082 6.456 1.00 0.54 H new ATOM 0 HB3 ASN A 35 12.395 13.182 5.915 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.414 16.001 5.277 1.00 1.83 H new ATOM 0 HD22 ASN A 35 14.214 14.253 5.120 1.00 1.83 H new ATOM 608 N LYS A 36 9.108 12.237 4.506 1.00 0.36 N ATOM 609 CA LYS A 36 8.413 10.961 4.549 1.00 0.40 C ATOM 610 C LYS A 36 7.750 10.681 3.208 1.00 0.36 C ATOM 611 O LYS A 36 7.441 11.599 2.451 1.00 0.56 O ATOM 612 CB LYS A 36 7.356 10.941 5.661 1.00 0.54 C ATOM 613 CG LYS A 36 7.915 11.043 7.077 1.00 0.89 C ATOM 614 CD LYS A 36 8.926 9.945 7.366 1.00 1.58 C ATOM 615 CE LYS A 36 9.082 9.689 8.861 1.00 1.56 C ATOM 616 NZ LYS A 36 9.408 10.922 9.624 1.00 2.03 N ATOM 0 H LYS A 36 8.498 13.052 4.565 1.00 0.36 H new ATOM 0 HA LYS A 36 9.149 10.186 4.761 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.663 11.766 5.499 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.780 10.020 5.579 1.00 0.54 H new ATOM 0 HG2 LYS A 36 8.387 12.016 7.212 1.00 0.89 H new ATOM 0 HG3 LYS A 36 7.098 10.983 7.796 1.00 0.89 H new ATOM 0 HD2 LYS A 36 8.613 9.025 6.872 1.00 1.58 H new ATOM 0 HD3 LYS A 36 9.892 10.221 6.943 1.00 1.58 H new ATOM 0 HE2 LYS A 36 8.159 9.260 9.250 1.00 1.56 H new ATOM 0 HE3 LYS A 36 9.868 8.951 9.019 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 9.636 10.672 10.607 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 10.226 11.394 9.188 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 8.590 11.565 9.611 1.00 2.03 H new ATOM 630 N ILE A 37 7.548 9.413 2.912 1.00 0.26 N ATOM 631 CA ILE A 37 6.888 9.010 1.687 1.00 0.27 C ATOM 632 C ILE A 37 5.629 8.210 2.001 1.00 0.24 C ATOM 633 O ILE A 37 5.666 7.273 2.801 1.00 0.26 O ATOM 634 CB ILE A 37 7.838 8.184 0.795 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.989 9.070 0.312 1.00 0.42 C ATOM 636 CG2 ILE A 37 7.091 7.570 -0.384 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.982 8.352 -0.570 1.00 0.58 C ATOM 0 H ILE A 37 7.835 8.638 3.509 1.00 0.26 H new ATOM 0 HA ILE A 37 6.605 9.911 1.142 1.00 0.27 H new ATOM 0 HB ILE A 37 8.246 7.363 1.384 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.577 9.918 -0.236 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.512 9.474 1.179 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.786 6.994 -0.995 1.00 0.45 H new ATOM 0 HG22 ILE A 37 6.303 6.914 -0.014 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.649 8.363 -0.987 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.768 9.045 -0.872 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.423 7.521 -0.020 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.473 7.972 -1.456 1.00 0.58 H new ATOM 649 N PRO A 38 4.492 8.597 1.400 1.00 0.27 N ATOM 650 CA PRO A 38 3.225 7.893 1.584 1.00 0.30 C ATOM 651 C PRO A 38 3.161 6.597 0.777 1.00 0.25 C ATOM 652 O PRO A 38 2.927 6.606 -0.438 1.00 0.26 O ATOM 653 CB PRO A 38 2.193 8.899 1.075 1.00 0.44 C ATOM 654 CG PRO A 38 2.918 9.714 0.061 1.00 0.53 C ATOM 655 CD PRO A 38 4.356 9.766 0.509 1.00 0.36 C ATOM 0 HA PRO A 38 3.068 7.587 2.618 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.333 8.394 0.634 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.816 9.522 1.886 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.835 9.266 -0.929 1.00 0.53 H new ATOM 0 HG3 PRO A 38 2.495 10.716 -0.006 1.00 0.53 H new ATOM 0 HD2 PRO A 38 5.041 9.705 -0.337 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.578 10.696 1.033 1.00 0.36 H new ATOM 663 N VAL A 39 3.360 5.485 1.462 1.00 0.23 N ATOM 664 CA VAL A 39 3.322 4.180 0.828 1.00 0.22 C ATOM 665 C VAL A 39 2.072 3.427 1.259 1.00 0.22 C ATOM 666 O VAL A 39 1.744 3.385 2.443 1.00 0.25 O ATOM 667 CB VAL A 39 4.572 3.342 1.183 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.550 2.002 0.463 1.00 1.39 C ATOM 669 CG2 VAL A 39 5.845 4.105 0.852 1.00 1.28 C ATOM 0 H VAL A 39 3.551 5.461 2.464 1.00 0.23 H new ATOM 0 HA VAL A 39 3.307 4.336 -0.251 1.00 0.22 H new ATOM 0 HB VAL A 39 4.555 3.152 2.256 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.440 1.431 0.729 1.00 1.39 H new ATOM 0 HG12 VAL A 39 3.660 1.445 0.757 1.00 1.39 H new ATOM 0 HG13 VAL A 39 4.534 2.168 -0.614 1.00 1.39 H new ATOM 0 HG21 VAL A 39 6.712 3.496 1.110 1.00 1.28 H new ATOM 0 HG22 VAL A 39 5.866 4.333 -0.214 1.00 1.28 H new ATOM 0 HG23 VAL A 39 5.871 5.034 1.422 1.00 1.28 H new ATOM 679 N VAL A 40 1.365 2.855 0.299 1.00 0.26 N ATOM 680 CA VAL A 40 0.188 2.061 0.599 1.00 0.28 C ATOM 681 C VAL A 40 0.453 0.603 0.256 1.00 0.28 C ATOM 682 O VAL A 40 0.549 0.236 -0.916 1.00 0.34 O ATOM 683 CB VAL A 40 -1.058 2.556 -0.171 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.290 1.761 0.231 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.280 4.041 0.071 1.00 0.40 C ATOM 0 H VAL A 40 1.586 2.926 -0.694 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.017 2.165 1.664 1.00 0.28 H new ATOM 0 HB VAL A 40 -0.884 2.402 -1.236 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.155 2.126 -0.323 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.132 0.707 0.004 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.467 1.880 1.300 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.161 4.372 -0.479 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.430 4.218 1.136 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.409 4.600 -0.271 1.00 0.40 H new ATOM 695 N VAL A 41 0.598 -0.221 1.282 1.00 0.30 N ATOM 696 CA VAL A 41 0.898 -1.629 1.083 1.00 0.32 C ATOM 697 C VAL A 41 -0.361 -2.463 1.259 1.00 0.44 C ATOM 698 O VAL A 41 -1.002 -2.432 2.310 1.00 0.64 O ATOM 699 CB VAL A 41 1.989 -2.124 2.054 1.00 0.47 C ATOM 700 CG1 VAL A 41 2.355 -3.572 1.767 1.00 0.50 C ATOM 701 CG2 VAL A 41 3.221 -1.238 1.970 1.00 1.03 C ATOM 0 H VAL A 41 0.513 0.061 2.259 1.00 0.30 H new ATOM 0 HA VAL A 41 1.275 -1.743 0.067 1.00 0.32 H new ATOM 0 HB VAL A 41 1.590 -2.068 3.067 1.00 0.47 H new ATOM 0 HG11 VAL A 41 3.126 -3.898 2.465 1.00 0.50 H new ATOM 0 HG12 VAL A 41 1.472 -4.200 1.883 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.730 -3.657 0.747 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.980 -1.603 2.662 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.616 -1.260 0.954 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.952 -0.215 2.233 1.00 1.03 H new ATOM 711 N GLU A 42 -0.716 -3.200 0.223 1.00 0.44 N ATOM 712 CA GLU A 42 -1.944 -3.975 0.228 1.00 0.64 C ATOM 713 C GLU A 42 -1.656 -5.447 -0.026 1.00 0.47 C ATOM 714 O GLU A 42 -0.688 -5.796 -0.706 1.00 0.36 O ATOM 715 CB GLU A 42 -2.903 -3.450 -0.840 1.00 0.94 C ATOM 716 CG GLU A 42 -3.250 -1.979 -0.679 1.00 1.44 C ATOM 717 CD GLU A 42 -4.236 -1.500 -1.719 1.00 1.67 C ATOM 718 OE1 GLU A 42 -3.809 -1.135 -2.831 1.00 2.43 O ATOM 719 OE2 GLU A 42 -5.452 -1.490 -1.430 1.00 1.86 O ATOM 0 H GLU A 42 -0.170 -3.279 -0.635 1.00 0.44 H new ATOM 0 HA GLU A 42 -2.405 -3.873 1.211 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -2.458 -3.604 -1.823 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -3.821 -4.036 -0.811 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -3.666 -1.814 0.315 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -2.339 -1.385 -0.746 1.00 1.44 H new ATOM 726 N ARG A 43 -2.494 -6.306 0.530 1.00 0.54 N ATOM 727 CA ARG A 43 -2.391 -7.729 0.270 1.00 0.47 C ATOM 728 C ARG A 43 -3.002 -8.030 -1.091 1.00 0.50 C ATOM 729 O ARG A 43 -4.058 -7.495 -1.439 1.00 0.60 O ATOM 730 CB ARG A 43 -3.087 -8.537 1.370 1.00 0.64 C ATOM 731 CG ARG A 43 -4.595 -8.353 1.414 1.00 1.11 C ATOM 732 CD ARG A 43 -5.226 -9.154 2.541 1.00 1.08 C ATOM 733 NE ARG A 43 -4.797 -10.555 2.537 1.00 1.40 N ATOM 734 CZ ARG A 43 -5.362 -11.514 1.803 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.340 -11.223 0.954 1.00 1.49 N ATOM 736 NH2 ARG A 43 -4.939 -12.765 1.917 1.00 2.32 N ATOM 0 H ARG A 43 -3.250 -6.043 1.162 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.340 -8.019 0.267 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -2.865 -9.594 1.225 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -2.668 -8.252 2.335 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -4.829 -7.296 1.543 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -5.027 -8.661 0.462 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -4.965 -8.699 3.497 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -6.311 -9.109 2.452 1.00 1.08 H new ATOM 0 HE ARG A 43 -4.013 -10.814 3.136 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -6.664 -10.260 0.860 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -6.767 -11.962 0.396 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -4.184 -12.991 2.564 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -5.369 -13.502 1.357 1.00 2.32 H new ATOM 750 N TYR A 44 -2.335 -8.862 -1.868 1.00 0.51 N ATOM 751 CA TYR A 44 -2.779 -9.148 -3.219 1.00 0.65 C ATOM 752 C TYR A 44 -3.772 -10.311 -3.216 1.00 0.80 C ATOM 753 O TYR A 44 -3.430 -11.420 -2.815 1.00 0.91 O ATOM 754 CB TYR A 44 -1.568 -9.468 -4.096 1.00 0.80 C ATOM 755 CG TYR A 44 -1.765 -9.163 -5.561 1.00 0.93 C ATOM 756 CD1 TYR A 44 -2.246 -7.927 -5.967 1.00 1.61 C ATOM 757 CD2 TYR A 44 -1.453 -10.099 -6.535 1.00 1.45 C ATOM 758 CE1 TYR A 44 -2.411 -7.631 -7.302 1.00 1.74 C ATOM 759 CE2 TYR A 44 -1.617 -9.812 -7.875 1.00 1.53 C ATOM 760 CZ TYR A 44 -2.097 -8.576 -8.253 1.00 1.23 C ATOM 761 OH TYR A 44 -2.257 -8.281 -9.586 1.00 1.40 O ATOM 0 H TYR A 44 -1.485 -9.351 -1.588 1.00 0.51 H new ATOM 0 HA TYR A 44 -3.287 -8.274 -3.626 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.710 -8.903 -3.731 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.324 -10.525 -3.986 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -2.495 -7.184 -5.224 1.00 1.61 H new ATOM 0 HD2 TYR A 44 -1.076 -11.067 -6.241 1.00 1.45 H new ATOM 0 HE1 TYR A 44 -2.785 -6.663 -7.601 1.00 1.74 H new ATOM 0 HE2 TYR A 44 -1.371 -10.551 -8.623 1.00 1.53 H new ATOM 0 HH TYR A 44 -1.860 -7.406 -9.777 1.00 1.40 H new ATOM 771 N PRO A 45 -5.024 -10.058 -3.647 1.00 0.96 N ATOM 772 CA PRO A 45 -6.099 -11.070 -3.667 1.00 1.22 C ATOM 773 C PRO A 45 -5.760 -12.309 -4.500 1.00 1.26 C ATOM 774 O PRO A 45 -6.383 -13.362 -4.338 1.00 1.48 O ATOM 775 CB PRO A 45 -7.283 -10.326 -4.292 1.00 1.41 C ATOM 776 CG PRO A 45 -6.997 -8.884 -4.057 1.00 1.32 C ATOM 777 CD PRO A 45 -5.503 -8.747 -4.120 1.00 1.05 C ATOM 0 HA PRO A 45 -6.287 -11.456 -2.665 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -7.369 -10.543 -5.357 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -8.224 -10.622 -3.830 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -7.479 -8.262 -4.811 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -7.379 -8.563 -3.088 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -5.161 -8.535 -5.133 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -5.146 -7.935 -3.486 1.00 1.05 H new ATOM 785 N ARG A 46 -4.788 -12.182 -5.396 1.00 1.19 N ATOM 786 CA ARG A 46 -4.329 -13.314 -6.194 1.00 1.41 C ATOM 787 C ARG A 46 -3.558 -14.302 -5.319 1.00 1.33 C ATOM 788 O ARG A 46 -3.430 -15.480 -5.650 1.00 1.52 O ATOM 789 CB ARG A 46 -3.454 -12.823 -7.355 1.00 1.62 C ATOM 790 CG ARG A 46 -2.881 -13.934 -8.226 1.00 2.05 C ATOM 791 CD ARG A 46 -3.971 -14.735 -8.920 1.00 2.15 C ATOM 792 NE ARG A 46 -3.413 -15.811 -9.738 1.00 2.69 N ATOM 793 CZ ARG A 46 -4.133 -16.607 -10.528 1.00 3.29 C ATOM 794 NH1 ARG A 46 -5.447 -16.446 -10.626 1.00 3.38 N ATOM 795 NH2 ARG A 46 -3.531 -17.562 -11.226 1.00 4.16 N ATOM 0 H ARG A 46 -4.302 -11.306 -5.589 1.00 1.19 H new ATOM 0 HA ARG A 46 -5.197 -13.827 -6.608 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -4.045 -12.155 -7.982 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -2.631 -12.235 -6.950 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -2.217 -13.502 -8.974 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -2.277 -14.601 -7.611 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -4.644 -15.157 -8.174 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -4.566 -14.072 -9.548 1.00 2.15 H new ATOM 0 HE ARG A 46 -2.405 -15.963 -9.702 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -5.912 -15.710 -10.095 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -5.992 -17.059 -11.233 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -2.521 -17.685 -11.157 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -4.079 -18.173 -11.832 1.00 4.16 H new ATOM 809 N GLU A 47 -3.065 -13.814 -4.190 1.00 1.17 N ATOM 810 CA GLU A 47 -2.337 -14.646 -3.249 1.00 1.13 C ATOM 811 C GLU A 47 -3.299 -15.532 -2.464 1.00 1.30 C ATOM 812 O GLU A 47 -4.355 -15.089 -2.005 1.00 1.48 O ATOM 813 CB GLU A 47 -1.509 -13.770 -2.305 1.00 1.09 C ATOM 814 CG GLU A 47 -0.883 -14.525 -1.144 1.00 1.43 C ATOM 815 CD GLU A 47 -0.192 -15.803 -1.569 1.00 1.91 C ATOM 816 OE1 GLU A 47 0.561 -15.774 -2.557 1.00 2.56 O ATOM 817 OE2 GLU A 47 -0.437 -16.852 -0.940 1.00 2.22 O ATOM 0 H GLU A 47 -3.158 -12.839 -3.904 1.00 1.17 H new ATOM 0 HA GLU A 47 -1.658 -15.294 -3.804 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -0.718 -13.285 -2.877 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.146 -12.979 -1.909 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -0.162 -13.878 -0.645 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -1.657 -14.763 -0.414 1.00 1.43 H new ATOM 824 N THR A 48 -2.913 -16.794 -2.338 1.00 1.56 N ATOM 825 CA THR A 48 -3.711 -17.797 -1.661 1.00 1.94 C ATOM 826 C THR A 48 -3.837 -17.541 -0.157 1.00 1.56 C ATOM 827 O THR A 48 -4.933 -17.655 0.395 1.00 1.92 O ATOM 828 CB THR A 48 -3.121 -19.201 -1.891 1.00 2.64 C ATOM 829 OG1 THR A 48 -1.698 -19.180 -1.681 1.00 2.79 O ATOM 830 CG2 THR A 48 -3.424 -19.690 -3.299 1.00 3.54 C ATOM 0 H THR A 48 -2.031 -17.149 -2.706 1.00 1.56 H new ATOM 0 HA THR A 48 -4.711 -17.735 -2.091 1.00 1.94 H new ATOM 0 HB THR A 48 -3.581 -19.885 -1.178 1.00 2.64 H new ATOM 0 HG1 THR A 48 -1.432 -18.303 -1.333 1.00 2.79 H new ATOM 0 HG21 THR A 48 -2.998 -20.683 -3.439 1.00 3.54 H new ATOM 0 HG22 THR A 48 -4.503 -19.735 -3.444 1.00 3.54 H new ATOM 0 HG23 THR A 48 -2.988 -19.003 -4.024 1.00 3.54 H new ATOM 838 N PHE A 49 -2.734 -17.195 0.509 1.00 1.27 N ATOM 839 CA PHE A 49 -2.768 -17.029 1.960 1.00 1.57 C ATOM 840 C PHE A 49 -1.584 -16.211 2.484 1.00 1.23 C ATOM 841 O PHE A 49 -0.691 -16.746 3.138 1.00 1.42 O ATOM 842 CB PHE A 49 -2.802 -18.406 2.639 1.00 2.24 C ATOM 843 CG PHE A 49 -3.076 -18.357 4.118 1.00 3.04 C ATOM 844 CD1 PHE A 49 -4.313 -17.954 4.590 1.00 3.65 C ATOM 845 CD2 PHE A 49 -2.102 -18.721 5.034 1.00 3.80 C ATOM 846 CE1 PHE A 49 -4.575 -17.917 5.946 1.00 4.73 C ATOM 847 CE2 PHE A 49 -2.356 -18.684 6.391 1.00 4.81 C ATOM 848 CZ PHE A 49 -3.596 -18.280 6.847 1.00 5.19 C ATOM 0 H PHE A 49 -1.825 -17.028 0.077 1.00 1.27 H new ATOM 0 HA PHE A 49 -3.673 -16.472 2.204 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -3.567 -19.017 2.159 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -1.847 -18.904 2.474 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -5.083 -17.665 3.890 1.00 3.65 H new ATOM 0 HD2 PHE A 49 -1.131 -19.038 4.682 1.00 3.80 H new ATOM 0 HE1 PHE A 49 -5.546 -17.604 6.300 1.00 4.73 H new ATOM 0 HE2 PHE A 49 -1.587 -18.970 7.094 1.00 4.81 H new ATOM 0 HZ PHE A 49 -3.798 -18.249 7.907 1.00 5.19 H new ATOM 858 N LEU A 50 -1.557 -14.927 2.159 1.00 0.94 N ATOM 859 CA LEU A 50 -0.663 -13.996 2.841 1.00 0.81 C ATOM 860 C LEU A 50 -1.475 -13.100 3.773 1.00 0.81 C ATOM 861 O LEU A 50 -2.545 -12.613 3.398 1.00 0.88 O ATOM 862 CB LEU A 50 0.148 -13.151 1.852 1.00 0.83 C ATOM 863 CG LEU A 50 1.370 -13.850 1.231 1.00 1.05 C ATOM 864 CD1 LEU A 50 2.127 -12.890 0.329 1.00 1.34 C ATOM 865 CD2 LEU A 50 2.291 -14.392 2.315 1.00 1.51 C ATOM 0 H LEU A 50 -2.138 -14.506 1.434 1.00 0.94 H new ATOM 0 HA LEU A 50 0.052 -14.577 3.424 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -0.513 -12.830 1.047 1.00 0.83 H new ATOM 0 HB3 LEU A 50 0.487 -12.250 2.363 1.00 0.83 H new ATOM 0 HG LEU A 50 1.015 -14.688 0.632 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.989 -13.399 -0.103 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.470 -12.547 -0.470 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.466 -12.034 0.912 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.148 -14.882 1.853 1.00 1.51 H new ATOM 0 HD22 LEU A 50 2.637 -13.571 2.942 1.00 1.51 H new ATOM 0 HD23 LEU A 50 1.748 -15.112 2.927 1.00 1.51 H new ATOM 877 N PRO A 51 -0.979 -12.879 4.999 1.00 0.98 N ATOM 878 CA PRO A 51 -1.711 -12.142 6.038 1.00 1.19 C ATOM 879 C PRO A 51 -1.862 -10.654 5.736 1.00 1.06 C ATOM 880 O PRO A 51 -0.935 -10.013 5.238 1.00 1.05 O ATOM 881 CB PRO A 51 -0.847 -12.339 7.285 1.00 1.58 C ATOM 882 CG PRO A 51 0.523 -12.581 6.761 1.00 1.69 C ATOM 883 CD PRO A 51 0.343 -13.331 5.473 1.00 1.21 C ATOM 0 HA PRO A 51 -2.733 -12.508 6.133 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -0.875 -11.460 7.929 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -1.198 -13.182 7.881 1.00 1.58 H new ATOM 0 HG2 PRO A 51 1.050 -11.641 6.596 1.00 1.69 H new ATOM 0 HG3 PRO A 51 1.116 -13.159 7.470 1.00 1.69 H new ATOM 0 HD2 PRO A 51 1.130 -13.095 4.757 1.00 1.21 H new ATOM 0 HD3 PRO A 51 0.367 -14.410 5.629 1.00 1.21 H new ATOM 891 N PRO A 52 -3.052 -10.093 6.028 1.00 1.03 N ATOM 892 CA PRO A 52 -3.311 -8.650 5.923 1.00 0.93 C ATOM 893 C PRO A 52 -2.469 -7.852 6.911 1.00 0.87 C ATOM 894 O PRO A 52 -1.828 -8.419 7.801 1.00 1.08 O ATOM 895 CB PRO A 52 -4.797 -8.512 6.271 1.00 1.03 C ATOM 896 CG PRO A 52 -5.363 -9.883 6.137 1.00 1.15 C ATOM 897 CD PRO A 52 -4.247 -10.823 6.477 1.00 1.17 C ATOM 0 HA PRO A 52 -3.059 -8.266 4.934 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -4.930 -8.129 7.283 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -5.295 -7.814 5.598 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -6.210 -10.023 6.809 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -5.727 -10.058 5.124 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -4.211 -11.038 7.545 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -4.353 -11.778 5.963 1.00 1.17 H new ATOM 905 N LEU A 53 -2.472 -6.537 6.758 1.00 0.75 N ATOM 906 CA LEU A 53 -1.665 -5.680 7.610 1.00 0.74 C ATOM 907 C LEU A 53 -2.526 -4.918 8.603 1.00 0.76 C ATOM 908 O LEU A 53 -3.720 -4.706 8.383 1.00 0.80 O ATOM 909 CB LEU A 53 -0.854 -4.699 6.767 1.00 0.76 C ATOM 910 CG LEU A 53 0.112 -5.349 5.778 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.000 -4.297 5.137 1.00 0.77 C ATOM 912 CD2 LEU A 53 0.950 -6.412 6.475 1.00 1.22 C ATOM 0 H LEU A 53 -3.022 -6.043 6.055 1.00 0.75 H new ATOM 0 HA LEU A 53 -0.983 -6.320 8.170 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -1.543 -4.061 6.214 1.00 0.76 H new ATOM 0 HB3 LEU A 53 -0.286 -4.051 7.435 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.467 -5.833 4.991 1.00 0.79 H new ATOM 0 HD11 LEU A 53 1.683 -4.776 4.435 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.382 -3.574 4.606 1.00 0.77 H new ATOM 0 HD13 LEU A 53 1.574 -3.786 5.910 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.633 -6.866 5.757 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.523 -5.953 7.281 1.00 1.22 H new ATOM 0 HD23 LEU A 53 0.295 -7.179 6.887 1.00 1.22 H new ATOM 924 N ASP A 54 -1.901 -4.520 9.704 1.00 0.77 N ATOM 925 CA ASP A 54 -2.575 -3.760 10.753 1.00 0.82 C ATOM 926 C ASP A 54 -2.919 -2.356 10.271 1.00 0.69 C ATOM 927 O ASP A 54 -3.942 -1.787 10.650 1.00 0.75 O ATOM 928 CB ASP A 54 -1.683 -3.691 11.995 1.00 1.00 C ATOM 929 CG ASP A 54 -2.283 -2.855 13.109 1.00 1.25 C ATOM 930 OD1 ASP A 54 -3.364 -3.218 13.619 1.00 2.12 O ATOM 931 OD2 ASP A 54 -1.666 -1.837 13.490 1.00 1.53 O ATOM 0 H ASP A 54 -0.918 -4.713 9.896 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.506 -4.267 11.007 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -1.503 -4.701 12.363 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -0.714 -3.275 11.717 1.00 1.00 H new ATOM 936 N LYS A 55 -2.062 -1.807 9.424 1.00 0.64 N ATOM 937 CA LYS A 55 -2.284 -0.491 8.847 1.00 0.62 C ATOM 938 C LYS A 55 -1.844 -0.509 7.389 1.00 0.55 C ATOM 939 O LYS A 55 -0.821 -1.103 7.059 1.00 0.61 O ATOM 940 CB LYS A 55 -1.510 0.572 9.632 1.00 0.81 C ATOM 941 CG LYS A 55 -1.855 1.997 9.230 1.00 1.10 C ATOM 942 CD LYS A 55 -1.134 3.015 10.098 1.00 1.49 C ATOM 943 CE LYS A 55 -1.500 4.441 9.713 1.00 1.98 C ATOM 944 NZ LYS A 55 -2.955 4.711 9.876 1.00 2.59 N ATOM 0 H LYS A 55 -1.199 -2.258 9.119 1.00 0.64 H new ATOM 0 HA LYS A 55 -3.344 -0.242 8.901 1.00 0.62 H new ATOM 0 HB2 LYS A 55 -1.711 0.445 10.696 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -0.441 0.411 9.488 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -1.588 2.155 8.185 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -2.932 2.147 9.310 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -1.386 2.844 11.145 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -0.057 2.877 10.003 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -0.931 5.139 10.328 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -1.212 4.621 8.677 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -3.127 5.735 9.818 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -3.484 4.228 9.122 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -3.272 4.359 10.802 1.00 2.59 H new ATOM 958 N THR A 56 -2.626 0.120 6.527 1.00 0.50 N ATOM 959 CA THR A 56 -2.378 0.067 5.092 1.00 0.48 C ATOM 960 C THR A 56 -1.496 1.232 4.631 1.00 0.43 C ATOM 961 O THR A 56 -0.691 1.085 3.709 1.00 0.45 O ATOM 962 CB THR A 56 -3.709 0.085 4.318 1.00 0.55 C ATOM 963 OG1 THR A 56 -4.658 -0.767 4.974 1.00 1.14 O ATOM 964 CG2 THR A 56 -3.514 -0.393 2.888 1.00 0.96 C ATOM 0 H THR A 56 -3.439 0.674 6.794 1.00 0.50 H new ATOM 0 HA THR A 56 -1.850 -0.863 4.883 1.00 0.48 H new ATOM 0 HB THR A 56 -4.078 1.110 4.296 1.00 0.55 H new ATOM 0 HG1 THR A 56 -5.505 -0.753 4.481 1.00 1.14 H new ATOM 0 HG21 THR A 56 -4.469 -0.371 2.363 1.00 0.96 H new ATOM 0 HG22 THR A 56 -2.805 0.261 2.379 1.00 0.96 H new ATOM 0 HG23 THR A 56 -3.128 -1.412 2.895 1.00 0.96 H new ATOM 972 N LYS A 57 -1.648 2.386 5.272 1.00 0.46 N ATOM 973 CA LYS A 57 -0.857 3.559 4.923 1.00 0.48 C ATOM 974 C LYS A 57 0.398 3.633 5.780 1.00 0.52 C ATOM 975 O LYS A 57 0.322 3.650 7.009 1.00 0.69 O ATOM 976 CB LYS A 57 -1.669 4.843 5.108 1.00 0.59 C ATOM 977 CG LYS A 57 -2.892 4.946 4.210 1.00 0.90 C ATOM 978 CD LYS A 57 -3.738 6.163 4.560 1.00 1.09 C ATOM 979 CE LYS A 57 -2.982 7.466 4.340 1.00 1.54 C ATOM 980 NZ LYS A 57 -3.733 8.635 4.863 1.00 2.14 N ATOM 0 H LYS A 57 -2.310 2.533 6.034 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.575 3.465 3.874 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -1.990 4.909 6.148 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.021 5.699 4.919 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.576 5.008 3.169 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.494 4.042 4.307 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -4.643 6.162 3.953 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -4.053 6.098 5.601 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -2.010 7.409 4.830 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -2.794 7.602 3.275 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -3.218 9.509 4.634 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -4.677 8.665 4.427 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -3.831 8.551 5.895 1.00 2.14 H new ATOM 994 N PHE A 58 1.547 3.676 5.131 1.00 0.43 N ATOM 995 CA PHE A 58 2.811 3.812 5.827 1.00 0.50 C ATOM 996 C PHE A 58 3.509 5.102 5.429 1.00 0.38 C ATOM 997 O PHE A 58 3.681 5.387 4.243 1.00 0.33 O ATOM 998 CB PHE A 58 3.728 2.624 5.528 1.00 0.69 C ATOM 999 CG PHE A 58 3.223 1.317 6.065 1.00 0.48 C ATOM 1000 CD1 PHE A 58 3.345 1.018 7.411 1.00 1.16 C ATOM 1001 CD2 PHE A 58 2.628 0.392 5.226 1.00 1.42 C ATOM 1002 CE1 PHE A 58 2.883 -0.183 7.910 1.00 1.29 C ATOM 1003 CE2 PHE A 58 2.164 -0.812 5.720 1.00 1.64 C ATOM 1004 CZ PHE A 58 2.291 -1.099 7.064 1.00 1.11 C ATOM 0 H PHE A 58 1.630 3.618 4.116 1.00 0.43 H new ATOM 0 HA PHE A 58 2.598 3.836 6.896 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.855 2.538 4.449 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.713 2.823 5.950 1.00 0.69 H new ATOM 0 HD1 PHE A 58 3.806 1.732 8.077 1.00 1.16 H new ATOM 0 HD2 PHE A 58 2.525 0.613 4.174 1.00 1.42 H new ATOM 0 HE1 PHE A 58 2.985 -0.406 8.962 1.00 1.29 H new ATOM 0 HE2 PHE A 58 1.703 -1.527 5.055 1.00 1.64 H new ATOM 0 HZ PHE A 58 1.928 -2.039 7.453 1.00 1.11 H new ATOM 1014 N LEU A 59 3.889 5.891 6.420 1.00 0.46 N ATOM 1015 CA LEU A 59 4.691 7.080 6.178 1.00 0.43 C ATOM 1016 C LEU A 59 6.114 6.815 6.640 1.00 0.40 C ATOM 1017 O LEU A 59 6.408 6.857 7.837 1.00 0.54 O ATOM 1018 CB LEU A 59 4.116 8.300 6.912 1.00 0.59 C ATOM 1019 CG LEU A 59 2.911 8.985 6.249 1.00 1.38 C ATOM 1020 CD1 LEU A 59 1.704 8.061 6.195 1.00 2.22 C ATOM 1021 CD2 LEU A 59 2.564 10.264 6.993 1.00 1.64 C ATOM 0 H LEU A 59 3.655 5.730 7.400 1.00 0.46 H new ATOM 0 HA LEU A 59 4.679 7.302 5.111 1.00 0.43 H new ATOM 0 HB2 LEU A 59 3.824 7.990 7.915 1.00 0.59 H new ATOM 0 HB3 LEU A 59 4.910 9.038 7.025 1.00 0.59 H new ATOM 0 HG LEU A 59 3.186 9.230 5.223 1.00 1.38 H new ATOM 0 HD11 LEU A 59 0.871 8.578 5.720 1.00 2.22 H new ATOM 0 HD12 LEU A 59 1.953 7.170 5.619 1.00 2.22 H new ATOM 0 HD13 LEU A 59 1.422 7.772 7.207 1.00 2.22 H new ATOM 0 HD21 LEU A 59 1.709 10.742 6.515 1.00 1.64 H new ATOM 0 HD22 LEU A 59 2.316 10.027 8.028 1.00 1.64 H new ATOM 0 HD23 LEU A 59 3.418 10.941 6.970 1.00 1.64 H new ATOM 1033 N VAL A 60 6.994 6.556 5.688 1.00 0.33 N ATOM 1034 CA VAL A 60 8.356 6.148 5.999 1.00 0.41 C ATOM 1035 C VAL A 60 9.370 7.135 5.432 1.00 0.36 C ATOM 1036 O VAL A 60 9.077 7.848 4.476 1.00 0.34 O ATOM 1037 CB VAL A 60 8.648 4.735 5.451 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.836 3.692 6.203 1.00 0.59 C ATOM 1039 CG2 VAL A 60 8.355 4.663 3.959 1.00 0.47 C ATOM 0 H VAL A 60 6.790 6.621 4.691 1.00 0.33 H new ATOM 0 HA VAL A 60 8.450 6.134 7.085 1.00 0.41 H new ATOM 0 HB VAL A 60 9.707 4.524 5.602 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.055 2.702 5.803 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.097 3.721 7.261 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.773 3.904 6.085 1.00 0.59 H new ATOM 0 HG21 VAL A 60 8.568 3.658 3.594 1.00 0.47 H new ATOM 0 HG22 VAL A 60 7.305 4.898 3.783 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.982 5.381 3.430 1.00 0.47 H new ATOM 1049 N PRO A 61 10.567 7.207 6.038 1.00 0.41 N ATOM 1050 CA PRO A 61 11.641 8.096 5.578 1.00 0.41 C ATOM 1051 C PRO A 61 12.082 7.772 4.155 1.00 0.37 C ATOM 1052 O PRO A 61 12.165 6.607 3.768 1.00 0.36 O ATOM 1053 CB PRO A 61 12.791 7.824 6.557 1.00 0.52 C ATOM 1054 CG PRO A 61 12.148 7.200 7.747 1.00 0.71 C ATOM 1055 CD PRO A 61 10.973 6.430 7.223 1.00 0.51 C ATOM 0 HA PRO A 61 11.320 9.137 5.559 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.535 7.160 6.117 1.00 0.52 H new ATOM 0 HB3 PRO A 61 13.307 8.746 6.826 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.845 6.543 8.268 1.00 0.71 H new ATOM 0 HG3 PRO A 61 11.830 7.959 8.462 1.00 0.71 H new ATOM 0 HD2 PRO A 61 11.245 5.408 6.961 1.00 0.51 H new ATOM 0 HD3 PRO A 61 10.171 6.368 7.959 1.00 0.51 H new ATOM 1063 N GLN A 62 12.374 8.809 3.382 1.00 0.42 N ATOM 1064 CA GLN A 62 12.779 8.640 1.991 1.00 0.45 C ATOM 1065 C GLN A 62 14.172 8.018 1.890 1.00 0.43 C ATOM 1066 O GLN A 62 14.585 7.566 0.821 1.00 0.51 O ATOM 1067 CB GLN A 62 12.735 9.984 1.259 1.00 0.61 C ATOM 1068 CG GLN A 62 13.634 11.049 1.864 1.00 0.85 C ATOM 1069 CD GLN A 62 13.462 12.398 1.194 1.00 0.78 C ATOM 1070 OE1 GLN A 62 13.125 12.478 0.013 1.00 1.34 O ATOM 1071 NE2 GLN A 62 13.697 13.465 1.937 1.00 1.15 N ATOM 0 H GLN A 62 12.338 9.779 3.695 1.00 0.42 H new ATOM 0 HA GLN A 62 12.075 7.957 1.515 1.00 0.45 H new ATOM 0 HB2 GLN A 62 13.022 9.829 0.219 1.00 0.61 H new ATOM 0 HB3 GLN A 62 11.708 10.350 1.255 1.00 0.61 H new ATOM 0 HG2 GLN A 62 13.415 11.144 2.928 1.00 0.85 H new ATOM 0 HG3 GLN A 62 14.674 10.734 1.779 1.00 0.85 H new ATOM 0 HE21 GLN A 62 13.974 13.356 2.912 1.00 1.15 H new ATOM 0 HE22 GLN A 62 13.601 14.398 1.535 1.00 1.15 H new ATOM 1080 N GLU A 63 14.887 8.000 3.010 1.00 0.46 N ATOM 1081 CA GLU A 63 16.207 7.383 3.074 1.00 0.59 C ATOM 1082 C GLU A 63 16.099 5.898 3.401 1.00 0.51 C ATOM 1083 O GLU A 63 17.096 5.176 3.391 1.00 0.62 O ATOM 1084 CB GLU A 63 17.065 8.077 4.130 1.00 0.81 C ATOM 1085 CG GLU A 63 17.397 9.520 3.800 1.00 1.56 C ATOM 1086 CD GLU A 63 18.260 9.649 2.566 1.00 2.26 C ATOM 1087 OE1 GLU A 63 19.483 9.420 2.664 1.00 3.07 O ATOM 1088 OE2 GLU A 63 17.724 9.987 1.494 1.00 2.73 O ATOM 0 H GLU A 63 14.572 8.408 3.890 1.00 0.46 H new ATOM 0 HA GLU A 63 16.677 7.493 2.097 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.544 8.044 5.087 1.00 0.81 H new ATOM 0 HB3 GLU A 63 17.994 7.520 4.253 1.00 0.81 H new ATOM 0 HG2 GLU A 63 16.472 10.077 3.652 1.00 1.56 H new ATOM 0 HG3 GLU A 63 17.911 9.974 4.647 1.00 1.56 H new ATOM 1095 N LEU A 64 14.887 5.447 3.689 1.00 0.39 N ATOM 1096 CA LEU A 64 14.657 4.069 4.074 1.00 0.39 C ATOM 1097 C LEU A 64 14.786 3.161 2.861 1.00 0.45 C ATOM 1098 O LEU A 64 14.227 3.437 1.796 1.00 0.54 O ATOM 1099 CB LEU A 64 13.266 3.909 4.690 1.00 0.36 C ATOM 1100 CG LEU A 64 13.023 2.585 5.414 1.00 0.49 C ATOM 1101 CD1 LEU A 64 13.722 2.584 6.765 1.00 1.14 C ATOM 1102 CD2 LEU A 64 11.535 2.326 5.578 1.00 1.44 C ATOM 0 H LEU A 64 14.045 6.022 3.662 1.00 0.39 H new ATOM 0 HA LEU A 64 15.405 3.789 4.816 1.00 0.39 H new ATOM 0 HB2 LEU A 64 13.102 4.725 5.394 1.00 0.36 H new ATOM 0 HB3 LEU A 64 12.522 4.015 3.900 1.00 0.36 H new ATOM 0 HG LEU A 64 13.441 1.780 4.809 1.00 0.49 H new ATOM 0 HD11 LEU A 64 13.540 1.635 7.268 1.00 1.14 H new ATOM 0 HD12 LEU A 64 14.794 2.718 6.620 1.00 1.14 H new ATOM 0 HD13 LEU A 64 13.334 3.399 7.376 1.00 1.14 H new ATOM 0 HD21 LEU A 64 11.385 1.379 6.096 1.00 1.44 H new ATOM 0 HD22 LEU A 64 11.087 3.132 6.160 1.00 1.44 H new ATOM 0 HD23 LEU A 64 11.063 2.282 4.596 1.00 1.44 H new ATOM 1114 N THR A 65 15.538 2.094 3.024 1.00 0.49 N ATOM 1115 CA THR A 65 15.695 1.109 1.969 1.00 0.54 C ATOM 1116 C THR A 65 14.517 0.147 1.982 1.00 0.53 C ATOM 1117 O THR A 65 13.865 -0.037 3.015 1.00 0.51 O ATOM 1118 CB THR A 65 17.000 0.305 2.131 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.955 -0.458 3.342 1.00 0.56 O ATOM 1120 CG2 THR A 65 18.209 1.228 2.149 1.00 0.68 C ATOM 0 H THR A 65 16.053 1.884 3.879 1.00 0.49 H new ATOM 0 HA THR A 65 15.736 1.646 1.021 1.00 0.54 H new ATOM 0 HB THR A 65 17.094 -0.369 1.280 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.042 0.143 4.111 1.00 0.56 H new ATOM 0 HG21 THR A 65 19.117 0.636 2.264 1.00 0.68 H new ATOM 0 HG22 THR A 65 18.255 1.785 1.213 1.00 0.68 H new ATOM 0 HG23 THR A 65 18.122 1.925 2.982 1.00 0.68 H new ATOM 1128 N MET A 66 14.245 -0.465 0.840 1.00 0.55 N ATOM 1129 CA MET A 66 13.187 -1.457 0.747 1.00 0.56 C ATOM 1130 C MET A 66 13.515 -2.671 1.611 1.00 0.52 C ATOM 1131 O MET A 66 12.620 -3.383 2.055 1.00 0.47 O ATOM 1132 CB MET A 66 12.964 -1.871 -0.708 1.00 0.62 C ATOM 1133 CG MET A 66 11.879 -2.920 -0.886 1.00 0.88 C ATOM 1134 SD MET A 66 10.301 -2.417 -0.173 1.00 1.39 S ATOM 1135 CE MET A 66 9.332 -3.894 -0.446 1.00 1.05 C ATOM 0 H MET A 66 14.742 -0.292 -0.034 1.00 0.55 H new ATOM 0 HA MET A 66 12.264 -1.013 1.119 1.00 0.56 H new ATOM 0 HB2 MET A 66 12.703 -0.988 -1.292 1.00 0.62 H new ATOM 0 HB3 MET A 66 13.899 -2.256 -1.114 1.00 0.62 H new ATOM 0 HG2 MET A 66 11.745 -3.121 -1.949 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.201 -3.853 -0.423 1.00 0.88 H new ATOM 0 HE1 MET A 66 8.605 -4.006 0.358 1.00 1.05 H new ATOM 0 HE2 MET A 66 8.810 -3.815 -1.399 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.990 -4.763 -0.463 1.00 1.05 H new ATOM 1145 N THR A 67 14.803 -2.897 1.856 1.00 0.56 N ATOM 1146 CA THR A 67 15.229 -3.946 2.772 1.00 0.58 C ATOM 1147 C THR A 67 14.617 -3.718 4.156 1.00 0.47 C ATOM 1148 O THR A 67 13.992 -4.610 4.737 1.00 0.45 O ATOM 1149 CB THR A 67 16.766 -3.989 2.894 1.00 0.70 C ATOM 1150 OG1 THR A 67 17.359 -4.244 1.611 1.00 1.33 O ATOM 1151 CG2 THR A 67 17.207 -5.061 3.882 1.00 1.19 C ATOM 0 H THR A 67 15.566 -2.368 1.433 1.00 0.56 H new ATOM 0 HA THR A 67 14.885 -4.899 2.370 1.00 0.58 H new ATOM 0 HB THR A 67 17.100 -3.019 3.262 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.134 -3.515 0.996 1.00 1.33 H new ATOM 0 HG21 THR A 67 18.295 -5.069 3.948 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.785 -4.847 4.864 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.857 -6.036 3.542 1.00 1.19 H new ATOM 1159 N GLN A 68 14.767 -2.498 4.657 1.00 0.47 N ATOM 1160 CA GLN A 68 14.236 -2.137 5.965 1.00 0.43 C ATOM 1161 C GLN A 68 12.714 -2.115 5.943 1.00 0.35 C ATOM 1162 O GLN A 68 12.061 -2.519 6.908 1.00 0.34 O ATOM 1163 CB GLN A 68 14.760 -0.764 6.381 1.00 0.50 C ATOM 1164 CG GLN A 68 16.273 -0.683 6.471 1.00 0.56 C ATOM 1165 CD GLN A 68 16.761 0.735 6.676 1.00 1.33 C ATOM 1166 OE1 GLN A 68 17.022 1.461 5.714 1.00 2.03 O ATOM 1167 NE2 GLN A 68 16.882 1.146 7.927 1.00 1.98 N ATOM 0 H GLN A 68 15.253 -1.741 4.176 1.00 0.47 H new ATOM 0 HA GLN A 68 14.565 -2.886 6.685 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.408 -0.020 5.666 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.334 -0.502 7.349 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.620 -1.307 7.295 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.711 -1.087 5.559 1.00 0.56 H new ATOM 0 HE21 GLN A 68 16.656 0.514 8.695 1.00 1.98 H new ATOM 0 HE22 GLN A 68 17.201 2.095 8.124 1.00 1.98 H new ATOM 1176 N PHE A 69 12.156 -1.652 4.829 1.00 0.35 N ATOM 1177 CA PHE A 69 10.715 -1.498 4.695 1.00 0.34 C ATOM 1178 C PHE A 69 10.038 -2.860 4.629 1.00 0.36 C ATOM 1179 O PHE A 69 8.985 -3.067 5.228 1.00 0.36 O ATOM 1180 CB PHE A 69 10.381 -0.673 3.453 1.00 0.42 C ATOM 1181 CG PHE A 69 8.927 -0.312 3.342 1.00 0.45 C ATOM 1182 CD1 PHE A 69 8.300 0.399 4.352 1.00 1.31 C ATOM 1183 CD2 PHE A 69 8.192 -0.676 2.228 1.00 1.26 C ATOM 1184 CE1 PHE A 69 6.965 0.738 4.254 1.00 1.30 C ATOM 1185 CE2 PHE A 69 6.856 -0.339 2.124 1.00 1.33 C ATOM 1186 CZ PHE A 69 6.243 0.368 3.138 1.00 0.59 C ATOM 0 H PHE A 69 12.685 -1.376 4.002 1.00 0.35 H new ATOM 0 HA PHE A 69 10.340 -0.970 5.572 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.974 0.242 3.465 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.676 -1.233 2.565 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.862 0.692 5.227 1.00 1.31 H new ATOM 0 HD2 PHE A 69 8.667 -1.229 1.431 1.00 1.26 H new ATOM 0 HE1 PHE A 69 6.487 1.291 5.049 1.00 1.30 H new ATOM 0 HE2 PHE A 69 6.292 -0.629 1.250 1.00 1.33 H new ATOM 0 HZ PHE A 69 5.199 0.632 3.058 1.00 0.59 H new ATOM 1196 N LEU A 70 10.657 -3.779 3.904 1.00 0.40 N ATOM 1197 CA LEU A 70 10.183 -5.152 3.815 1.00 0.46 C ATOM 1198 C LEU A 70 10.080 -5.762 5.209 1.00 0.47 C ATOM 1199 O LEU A 70 9.091 -6.420 5.543 1.00 0.52 O ATOM 1200 CB LEU A 70 11.133 -5.963 2.921 1.00 0.54 C ATOM 1201 CG LEU A 70 10.830 -7.464 2.782 1.00 0.77 C ATOM 1202 CD1 LEU A 70 11.306 -7.971 1.430 1.00 1.18 C ATOM 1203 CD2 LEU A 70 11.501 -8.265 3.891 1.00 1.43 C ATOM 0 H LEU A 70 11.501 -3.595 3.361 1.00 0.40 H new ATOM 0 HA LEU A 70 9.189 -5.170 3.369 1.00 0.46 H new ATOM 0 HB2 LEU A 70 11.126 -5.520 1.925 1.00 0.54 H new ATOM 0 HB3 LEU A 70 12.145 -5.854 3.311 1.00 0.54 H new ATOM 0 HG LEU A 70 9.751 -7.597 2.863 1.00 0.77 H new ATOM 0 HD11 LEU A 70 11.086 -9.035 1.343 1.00 1.18 H new ATOM 0 HD12 LEU A 70 10.793 -7.428 0.636 1.00 1.18 H new ATOM 0 HD13 LEU A 70 12.381 -7.814 1.340 1.00 1.18 H new ATOM 0 HD21 LEU A 70 11.269 -9.323 3.767 1.00 1.43 H new ATOM 0 HD22 LEU A 70 12.580 -8.122 3.841 1.00 1.43 H new ATOM 0 HD23 LEU A 70 11.134 -7.924 4.859 1.00 1.43 H new ATOM 1215 N SER A 71 11.108 -5.527 6.016 1.00 0.45 N ATOM 1216 CA SER A 71 11.115 -5.968 7.405 1.00 0.50 C ATOM 1217 C SER A 71 9.924 -5.372 8.156 1.00 0.48 C ATOM 1218 O SER A 71 9.259 -6.059 8.932 1.00 0.56 O ATOM 1219 CB SER A 71 12.432 -5.563 8.072 1.00 0.55 C ATOM 1220 OG SER A 71 12.427 -5.855 9.459 1.00 1.50 O ATOM 0 H SER A 71 11.952 -5.031 5.730 1.00 0.45 H new ATOM 0 HA SER A 71 11.028 -7.054 7.435 1.00 0.50 H new ATOM 0 HB2 SER A 71 13.259 -6.087 7.593 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.602 -4.496 7.925 1.00 0.55 H new ATOM 0 HG SER A 71 13.283 -5.585 9.853 1.00 1.50 H new ATOM 1226 N ILE A 72 9.648 -4.096 7.901 1.00 0.40 N ATOM 1227 CA ILE A 72 8.521 -3.419 8.528 1.00 0.39 C ATOM 1228 C ILE A 72 7.204 -4.049 8.088 1.00 0.40 C ATOM 1229 O ILE A 72 6.369 -4.389 8.920 1.00 0.46 O ATOM 1230 CB ILE A 72 8.497 -1.912 8.198 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.766 -1.230 8.718 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.255 -1.261 8.796 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.851 0.243 8.380 1.00 0.46 C ATOM 0 H ILE A 72 10.190 -3.512 7.265 1.00 0.40 H new ATOM 0 HA ILE A 72 8.643 -3.533 9.605 1.00 0.39 H new ATOM 0 HB ILE A 72 8.463 -1.792 7.115 1.00 0.38 H new ATOM 0 HG12 ILE A 72 9.813 -1.348 9.801 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.636 -1.739 8.304 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.250 -0.198 8.556 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.363 -1.731 8.382 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.263 -1.388 9.878 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.777 0.656 8.781 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.837 0.369 7.297 1.00 0.46 H new ATOM 0 HD13 ILE A 72 9.001 0.766 8.817 1.00 0.46 H new ATOM 1245 N ILE A 73 7.039 -4.227 6.779 1.00 0.40 N ATOM 1246 CA ILE A 73 5.822 -4.817 6.224 1.00 0.47 C ATOM 1247 C ILE A 73 5.543 -6.171 6.863 1.00 0.56 C ATOM 1248 O ILE A 73 4.423 -6.450 7.288 1.00 0.64 O ATOM 1249 CB ILE A 73 5.921 -5.004 4.694 1.00 0.52 C ATOM 1250 CG1 ILE A 73 6.149 -3.664 3.995 1.00 0.51 C ATOM 1251 CG2 ILE A 73 4.665 -5.677 4.155 1.00 0.65 C ATOM 1252 CD1 ILE A 73 6.341 -3.790 2.498 1.00 1.08 C ATOM 0 H ILE A 73 7.736 -3.970 6.080 1.00 0.40 H new ATOM 0 HA ILE A 73 5.008 -4.125 6.442 1.00 0.47 H new ATOM 0 HB ILE A 73 6.776 -5.647 4.486 1.00 0.52 H new ATOM 0 HG12 ILE A 73 5.298 -3.011 4.191 1.00 0.51 H new ATOM 0 HG13 ILE A 73 7.026 -3.182 4.427 1.00 0.51 H new ATOM 0 HG21 ILE A 73 4.753 -5.800 3.076 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.546 -6.654 4.623 1.00 0.65 H new ATOM 0 HG23 ILE A 73 3.796 -5.059 4.380 1.00 0.65 H new ATOM 0 HD11 ILE A 73 6.498 -2.801 2.067 1.00 1.08 H new ATOM 0 HD12 ILE A 73 7.209 -4.417 2.294 1.00 1.08 H new ATOM 0 HD13 ILE A 73 5.454 -4.243 2.054 1.00 1.08 H new ATOM 1264 N ARG A 74 6.580 -6.994 6.950 1.00 0.60 N ATOM 1265 CA ARG A 74 6.449 -8.327 7.517 1.00 0.75 C ATOM 1266 C ARG A 74 6.087 -8.242 8.997 1.00 0.75 C ATOM 1267 O ARG A 74 5.340 -9.070 9.513 1.00 0.84 O ATOM 1268 CB ARG A 74 7.752 -9.105 7.336 1.00 0.86 C ATOM 1269 CG ARG A 74 7.599 -10.605 7.531 1.00 1.15 C ATOM 1270 CD ARG A 74 8.928 -11.321 7.361 1.00 1.07 C ATOM 1271 NE ARG A 74 8.778 -12.774 7.389 1.00 1.72 N ATOM 1272 CZ ARG A 74 9.427 -13.578 8.231 1.00 2.15 C ATOM 1273 NH1 ARG A 74 10.240 -13.075 9.155 1.00 2.13 N ATOM 1274 NH2 ARG A 74 9.256 -14.893 8.154 1.00 3.12 N ATOM 0 H ARG A 74 7.521 -6.760 6.634 1.00 0.60 H new ATOM 0 HA ARG A 74 5.650 -8.852 6.994 1.00 0.75 H new ATOM 0 HB2 ARG A 74 8.142 -8.915 6.336 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.491 -8.729 8.043 1.00 0.86 H new ATOM 0 HG2 ARG A 74 7.200 -10.806 8.525 1.00 1.15 H new ATOM 0 HG3 ARG A 74 6.878 -10.996 6.813 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.382 -11.022 6.416 1.00 1.07 H new ATOM 0 HD3 ARG A 74 9.609 -11.012 8.154 1.00 1.07 H new ATOM 0 HE ARG A 74 8.135 -13.200 6.721 1.00 1.72 H new ATOM 0 HH11 ARG A 74 10.371 -12.066 9.224 1.00 2.13 H new ATOM 0 HH12 ARG A 74 10.732 -13.698 9.795 1.00 2.13 H new ATOM 0 HH21 ARG A 74 8.629 -15.286 7.452 1.00 3.12 H new ATOM 0 HH22 ARG A 74 9.752 -15.510 8.797 1.00 3.12 H new ATOM 1288 N SER A 75 6.603 -7.221 9.671 1.00 0.67 N ATOM 1289 CA SER A 75 6.351 -7.038 11.092 1.00 0.71 C ATOM 1290 C SER A 75 4.964 -6.435 11.329 1.00 0.65 C ATOM 1291 O SER A 75 4.388 -6.582 12.405 1.00 0.70 O ATOM 1292 CB SER A 75 7.437 -6.146 11.704 1.00 0.71 C ATOM 1293 OG SER A 75 7.283 -6.042 13.110 1.00 1.33 O ATOM 0 H SER A 75 7.200 -6.507 9.254 1.00 0.67 H new ATOM 0 HA SER A 75 6.379 -8.014 11.577 1.00 0.71 H new ATOM 0 HB2 SER A 75 8.420 -6.555 11.473 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.391 -5.153 11.256 1.00 0.71 H new ATOM 0 HG SER A 75 7.989 -5.469 13.475 1.00 1.33 H new ATOM 1299 N ARG A 76 4.427 -5.764 10.316 1.00 0.60 N ATOM 1300 CA ARG A 76 3.116 -5.135 10.426 1.00 0.60 C ATOM 1301 C ARG A 76 2.021 -6.094 9.974 1.00 0.66 C ATOM 1302 O ARG A 76 0.840 -5.734 9.932 1.00 0.70 O ATOM 1303 CB ARG A 76 3.074 -3.843 9.608 1.00 0.58 C ATOM 1304 CG ARG A 76 4.080 -2.801 10.076 1.00 1.15 C ATOM 1305 CD ARG A 76 3.757 -2.287 11.471 1.00 1.27 C ATOM 1306 NE ARG A 76 2.562 -1.445 11.482 1.00 1.86 N ATOM 1307 CZ ARG A 76 1.494 -1.662 12.246 1.00 2.28 C ATOM 1308 NH1 ARG A 76 1.442 -2.718 13.047 1.00 2.42 N ATOM 1309 NH2 ARG A 76 0.469 -0.820 12.209 1.00 3.11 N ATOM 0 H ARG A 76 4.879 -5.642 9.410 1.00 0.60 H new ATOM 0 HA ARG A 76 2.939 -4.886 11.472 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.265 -4.078 8.561 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.071 -3.420 9.662 1.00 0.58 H new ATOM 0 HG2 ARG A 76 5.080 -3.234 10.071 1.00 1.15 H new ATOM 0 HG3 ARG A 76 4.091 -1.966 9.375 1.00 1.15 H new ATOM 0 HD2 ARG A 76 3.611 -3.132 12.144 1.00 1.27 H new ATOM 0 HD3 ARG A 76 4.605 -1.718 11.853 1.00 1.27 H new ATOM 0 HE ARG A 76 2.546 -0.636 10.862 1.00 1.86 H new ATOM 0 HH11 ARG A 76 2.224 -3.371 13.081 1.00 2.42 H new ATOM 0 HH12 ARG A 76 0.620 -2.877 13.629 1.00 2.42 H new ATOM 0 HH21 ARG A 76 0.499 -0.006 11.595 1.00 3.11 H new ATOM 0 HH22 ARG A 76 -0.349 -0.987 12.795 1.00 3.11 H new ATOM 1323 N MET A 77 2.428 -7.309 9.632 1.00 0.71 N ATOM 1324 CA MET A 77 1.493 -8.366 9.277 1.00 0.80 C ATOM 1325 C MET A 77 0.708 -8.802 10.500 1.00 0.82 C ATOM 1326 O MET A 77 1.269 -8.988 11.581 1.00 0.81 O ATOM 1327 CB MET A 77 2.230 -9.568 8.685 1.00 0.89 C ATOM 1328 CG MET A 77 2.738 -9.345 7.271 1.00 1.02 C ATOM 1329 SD MET A 77 3.667 -10.752 6.639 1.00 1.28 S ATOM 1330 CE MET A 77 3.916 -10.249 4.941 1.00 1.06 C ATOM 0 H MET A 77 3.408 -7.588 9.593 1.00 0.71 H new ATOM 0 HA MET A 77 0.806 -7.973 8.527 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.074 -9.817 9.328 1.00 0.89 H new ATOM 0 HB3 MET A 77 1.562 -10.429 8.689 1.00 0.89 H new ATOM 0 HG2 MET A 77 1.893 -9.147 6.612 1.00 1.02 H new ATOM 0 HG3 MET A 77 3.371 -8.458 7.252 1.00 1.02 H new ATOM 0 HE1 MET A 77 4.479 -11.018 4.413 1.00 1.06 H new ATOM 0 HE2 MET A 77 2.949 -10.110 4.457 1.00 1.06 H new ATOM 0 HE3 MET A 77 4.472 -9.312 4.917 1.00 1.06 H new ATOM 1340 N VAL A 78 -0.599 -8.943 10.316 1.00 0.89 N ATOM 1341 CA VAL A 78 -1.491 -9.380 11.393 1.00 0.97 C ATOM 1342 C VAL A 78 -1.106 -10.775 11.887 1.00 1.00 C ATOM 1343 O VAL A 78 -1.274 -11.102 13.064 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.970 -9.373 10.943 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.889 -9.831 12.068 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -3.374 -7.988 10.467 1.00 1.66 C ATOM 0 H VAL A 78 -1.070 -8.761 9.430 1.00 0.89 H new ATOM 0 HA VAL A 78 -1.379 -8.670 12.212 1.00 0.97 H new ATOM 0 HB VAL A 78 -3.071 -10.074 10.115 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.923 -9.816 11.722 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -3.621 -10.844 12.367 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -3.782 -9.161 12.921 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -4.418 -8.001 10.154 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -3.248 -7.273 11.280 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -2.746 -7.695 9.625 1.00 1.66 H new ATOM 1356 N LEU A 79 -0.578 -11.583 10.986 1.00 1.03 N ATOM 1357 CA LEU A 79 -0.073 -12.899 11.339 1.00 1.12 C ATOM 1358 C LEU A 79 1.450 -12.877 11.260 1.00 1.09 C ATOM 1359 O LEU A 79 2.020 -12.606 10.201 1.00 1.19 O ATOM 1360 CB LEU A 79 -0.655 -13.965 10.403 1.00 1.35 C ATOM 1361 CG LEU A 79 -0.642 -15.396 10.945 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -1.527 -15.509 12.179 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -1.099 -16.375 9.875 1.00 2.29 C ATOM 0 H LEU A 79 -0.487 -11.349 9.997 1.00 1.03 H new ATOM 0 HA LEU A 79 -0.378 -13.151 12.355 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -1.684 -13.694 10.167 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -0.098 -13.945 9.467 1.00 1.35 H new ATOM 0 HG LEU A 79 0.380 -15.645 11.229 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -1.505 -16.534 12.550 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -1.160 -14.835 12.953 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -2.551 -15.239 11.919 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -1.084 -17.388 10.278 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -2.113 -16.125 9.562 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -0.429 -16.315 9.017 1.00 2.29 H new ATOM 1375 N ARG A 80 2.104 -13.156 12.380 1.00 1.18 N ATOM 1376 CA ARG A 80 3.542 -12.934 12.504 1.00 1.28 C ATOM 1377 C ARG A 80 4.349 -14.118 11.985 1.00 1.31 C ATOM 1378 O ARG A 80 3.950 -15.273 12.154 1.00 1.48 O ATOM 1379 CB ARG A 80 3.909 -12.659 13.966 1.00 1.62 C ATOM 1380 CG ARG A 80 3.127 -11.508 14.580 1.00 2.43 C ATOM 1381 CD ARG A 80 3.555 -11.235 16.013 1.00 2.82 C ATOM 1382 NE ARG A 80 2.744 -10.186 16.631 1.00 3.25 N ATOM 1383 CZ ARG A 80 3.092 -9.520 17.732 1.00 3.84 C ATOM 1384 NH1 ARG A 80 4.240 -9.786 18.346 1.00 4.09 N ATOM 1385 NH2 ARG A 80 2.292 -8.580 18.222 1.00 4.54 N ATOM 0 H ARG A 80 1.663 -13.537 13.217 1.00 1.18 H new ATOM 0 HA ARG A 80 3.791 -12.067 11.892 1.00 1.28 H new ATOM 0 HB2 ARG A 80 3.734 -13.561 14.552 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.975 -12.439 14.030 1.00 1.62 H new ATOM 0 HG2 ARG A 80 3.272 -10.610 13.980 1.00 2.43 H new ATOM 0 HG3 ARG A 80 2.062 -11.739 14.557 1.00 2.43 H new ATOM 0 HD2 ARG A 80 3.472 -12.151 16.598 1.00 2.82 H new ATOM 0 HD3 ARG A 80 4.604 -10.940 16.029 1.00 2.82 H new ATOM 0 HE ARG A 80 1.855 -9.949 16.191 1.00 3.25 H new ATOM 0 HH11 ARG A 80 4.862 -10.504 17.975 1.00 4.09 H new ATOM 0 HH12 ARG A 80 4.499 -9.272 19.188 1.00 4.09 H new ATOM 0 HH21 ARG A 80 1.410 -8.367 17.756 1.00 4.54 H new ATOM 0 HH22 ARG A 80 2.559 -8.071 19.065 1.00 4.54 H new ATOM 1399 N ALA A 81 5.486 -13.809 11.359 1.00 1.49 N ATOM 1400 CA ALA A 81 6.422 -14.813 10.852 1.00 1.84 C ATOM 1401 C ALA A 81 5.741 -15.811 9.924 1.00 1.79 C ATOM 1402 O ALA A 81 5.668 -17.009 10.208 1.00 2.59 O ATOM 1403 CB ALA A 81 7.104 -15.532 11.999 1.00 2.91 C ATOM 0 H ALA A 81 5.785 -12.849 11.189 1.00 1.49 H new ATOM 0 HA ALA A 81 7.177 -14.288 10.267 1.00 1.84 H new ATOM 0 HB1 ALA A 81 7.796 -16.275 11.603 1.00 2.91 H new ATOM 0 HB2 ALA A 81 7.653 -14.811 12.605 1.00 2.91 H new ATOM 0 HB3 ALA A 81 6.354 -16.028 12.615 1.00 2.91 H new ATOM 1409 N THR A 82 5.251 -15.305 8.813 1.00 1.83 N ATOM 1410 CA THR A 82 4.570 -16.126 7.827 1.00 2.56 C ATOM 1411 C THR A 82 5.465 -16.394 6.619 1.00 2.23 C ATOM 1412 O THR A 82 5.055 -16.196 5.472 1.00 2.92 O ATOM 1413 CB THR A 82 3.271 -15.445 7.372 1.00 3.57 C ATOM 1414 OG1 THR A 82 3.503 -14.041 7.198 1.00 4.30 O ATOM 1415 CG2 THR A 82 2.162 -15.665 8.389 1.00 4.27 C ATOM 0 H THR A 82 5.311 -14.317 8.565 1.00 1.83 H new ATOM 0 HA THR A 82 4.331 -17.081 8.295 1.00 2.56 H new ATOM 0 HB THR A 82 2.958 -15.884 6.425 1.00 3.57 H new ATOM 0 HG1 THR A 82 3.031 -13.728 6.398 1.00 4.30 H new ATOM 0 HG21 THR A 82 1.251 -15.174 8.046 1.00 4.27 H new ATOM 0 HG22 THR A 82 1.978 -16.733 8.501 1.00 4.27 H new ATOM 0 HG23 THR A 82 2.461 -15.245 9.350 1.00 4.27 H new ATOM 1423 N GLU A 83 6.681 -16.868 6.895 1.00 1.53 N ATOM 1424 CA GLU A 83 7.671 -17.143 5.863 1.00 1.50 C ATOM 1425 C GLU A 83 8.025 -15.874 5.083 1.00 1.17 C ATOM 1426 O GLU A 83 7.765 -14.759 5.547 1.00 1.67 O ATOM 1427 CB GLU A 83 7.139 -18.238 4.946 1.00 2.09 C ATOM 1428 CG GLU A 83 7.092 -19.604 5.612 1.00 2.50 C ATOM 1429 CD GLU A 83 6.451 -20.661 4.739 1.00 2.97 C ATOM 1430 OE1 GLU A 83 5.209 -20.788 4.771 1.00 3.25 O ATOM 1431 OE2 GLU A 83 7.187 -21.382 4.034 1.00 3.64 O ATOM 0 H GLU A 83 7.003 -17.071 7.841 1.00 1.53 H new ATOM 0 HA GLU A 83 8.594 -17.489 6.329 1.00 1.50 H new ATOM 0 HB2 GLU A 83 6.137 -17.969 4.612 1.00 2.09 H new ATOM 0 HB3 GLU A 83 7.767 -18.296 4.057 1.00 2.09 H new ATOM 0 HG2 GLU A 83 8.106 -19.915 5.865 1.00 2.50 H new ATOM 0 HG3 GLU A 83 6.539 -19.528 6.548 1.00 2.50 H new ATOM 1438 N ALA A 84 8.656 -16.039 3.930 1.00 1.00 N ATOM 1439 CA ALA A 84 9.028 -14.907 3.098 1.00 0.89 C ATOM 1440 C ALA A 84 7.970 -14.648 2.032 1.00 0.77 C ATOM 1441 O ALA A 84 7.317 -15.575 1.555 1.00 0.92 O ATOM 1442 CB ALA A 84 10.389 -15.137 2.458 1.00 1.27 C ATOM 0 H ALA A 84 8.921 -16.948 3.550 1.00 1.00 H new ATOM 0 HA ALA A 84 9.093 -14.024 3.734 1.00 0.89 H new ATOM 0 HB1 ALA A 84 10.650 -14.279 1.839 1.00 1.27 H new ATOM 0 HB2 ALA A 84 11.141 -15.264 3.237 1.00 1.27 H new ATOM 0 HB3 ALA A 84 10.353 -16.033 1.839 1.00 1.27 H new ATOM 1448 N PHE A 85 7.822 -13.387 1.661 1.00 0.63 N ATOM 1449 CA PHE A 85 6.794 -12.967 0.715 1.00 0.53 C ATOM 1450 C PHE A 85 7.418 -12.144 -0.408 1.00 0.51 C ATOM 1451 O PHE A 85 8.460 -11.512 -0.212 1.00 0.58 O ATOM 1452 CB PHE A 85 5.711 -12.155 1.440 1.00 0.50 C ATOM 1453 CG PHE A 85 6.198 -10.860 2.045 1.00 0.50 C ATOM 1454 CD1 PHE A 85 7.087 -10.856 3.110 1.00 1.08 C ATOM 1455 CD2 PHE A 85 5.750 -9.648 1.553 1.00 1.33 C ATOM 1456 CE1 PHE A 85 7.518 -9.666 3.665 1.00 1.09 C ATOM 1457 CE2 PHE A 85 6.176 -8.456 2.102 1.00 1.38 C ATOM 1458 CZ PHE A 85 7.061 -8.464 3.160 1.00 0.62 C ATOM 0 H PHE A 85 8.408 -12.626 2.004 1.00 0.63 H new ATOM 0 HA PHE A 85 6.331 -13.852 0.279 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.909 -11.933 0.736 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.281 -12.771 2.230 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.446 -11.793 3.510 1.00 1.08 H new ATOM 0 HD2 PHE A 85 5.056 -9.634 0.726 1.00 1.33 H new ATOM 0 HE1 PHE A 85 8.212 -9.676 4.493 1.00 1.09 H new ATOM 0 HE2 PHE A 85 5.817 -7.518 1.704 1.00 1.38 H new ATOM 0 HZ PHE A 85 7.396 -7.533 3.593 1.00 0.62 H new ATOM 1468 N TYR A 86 6.805 -12.168 -1.585 1.00 0.49 N ATOM 1469 CA TYR A 86 7.339 -11.439 -2.727 1.00 0.55 C ATOM 1470 C TYR A 86 6.508 -10.191 -2.995 1.00 0.53 C ATOM 1471 O TYR A 86 5.305 -10.164 -2.737 1.00 0.48 O ATOM 1472 CB TYR A 86 7.378 -12.335 -3.967 1.00 0.65 C ATOM 1473 CG TYR A 86 8.185 -13.599 -3.766 1.00 0.96 C ATOM 1474 CD1 TYR A 86 7.593 -14.741 -3.247 1.00 1.96 C ATOM 1475 CD2 TYR A 86 9.536 -13.648 -4.087 1.00 1.54 C ATOM 1476 CE1 TYR A 86 8.319 -15.895 -3.052 1.00 2.64 C ATOM 1477 CE2 TYR A 86 10.270 -14.802 -3.895 1.00 2.12 C ATOM 1478 CZ TYR A 86 9.656 -15.923 -3.377 1.00 2.49 C ATOM 1479 OH TYR A 86 10.379 -17.078 -3.181 1.00 3.30 O ATOM 0 H TYR A 86 5.944 -12.681 -1.773 1.00 0.49 H new ATOM 0 HA TYR A 86 8.359 -11.132 -2.495 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.359 -12.603 -4.245 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.798 -11.772 -4.800 1.00 0.65 H new ATOM 0 HD1 TYR A 86 6.544 -14.725 -2.991 1.00 1.96 H new ATOM 0 HD2 TYR A 86 10.019 -12.771 -4.492 1.00 1.54 H new ATOM 0 HE1 TYR A 86 7.841 -16.774 -2.646 1.00 2.64 H new ATOM 0 HE2 TYR A 86 11.319 -14.826 -4.149 1.00 2.12 H new ATOM 0 HH TYR A 86 11.193 -16.872 -2.676 1.00 3.30 H new ATOM 1489 N LEU A 87 7.157 -9.159 -3.506 1.00 0.62 N ATOM 1490 CA LEU A 87 6.502 -7.878 -3.730 1.00 0.63 C ATOM 1491 C LEU A 87 6.108 -7.717 -5.191 1.00 0.67 C ATOM 1492 O LEU A 87 6.848 -8.115 -6.089 1.00 0.91 O ATOM 1493 CB LEU A 87 7.423 -6.721 -3.320 1.00 0.81 C ATOM 1494 CG LEU A 87 7.506 -6.403 -1.817 1.00 0.83 C ATOM 1495 CD1 LEU A 87 6.184 -5.856 -1.304 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.928 -7.619 -1.007 1.00 1.56 C ATOM 0 H LEU A 87 8.141 -9.182 -3.775 1.00 0.62 H new ATOM 0 HA LEU A 87 5.601 -7.855 -3.116 1.00 0.63 H new ATOM 0 HB2 LEU A 87 8.429 -6.944 -3.677 1.00 0.81 H new ATOM 0 HB3 LEU A 87 7.092 -5.822 -3.840 1.00 0.81 H new ATOM 0 HG LEU A 87 8.271 -5.637 -1.691 1.00 0.83 H new ATOM 0 HD11 LEU A 87 6.269 -5.639 -0.239 1.00 1.44 H new ATOM 0 HD12 LEU A 87 5.935 -4.941 -1.842 1.00 1.44 H new ATOM 0 HD13 LEU A 87 5.398 -6.595 -1.462 1.00 1.44 H new ATOM 0 HD21 LEU A 87 7.975 -7.354 0.049 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.202 -8.420 -1.148 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.910 -7.956 -1.341 1.00 1.56 H new ATOM 1508 N LEU A 88 4.932 -7.147 -5.413 1.00 0.52 N ATOM 1509 CA LEU A 88 4.458 -6.829 -6.750 1.00 0.60 C ATOM 1510 C LEU A 88 4.030 -5.369 -6.809 1.00 0.69 C ATOM 1511 O LEU A 88 2.981 -4.997 -6.276 1.00 0.75 O ATOM 1512 CB LEU A 88 3.276 -7.723 -7.140 1.00 0.63 C ATOM 1513 CG LEU A 88 3.591 -9.212 -7.293 1.00 0.70 C ATOM 1514 CD1 LEU A 88 2.327 -9.990 -7.628 1.00 1.54 C ATOM 1515 CD2 LEU A 88 4.644 -9.430 -8.368 1.00 1.48 C ATOM 0 H LEU A 88 4.281 -6.892 -4.670 1.00 0.52 H new ATOM 0 HA LEU A 88 5.273 -7.005 -7.453 1.00 0.60 H new ATOM 0 HB2 LEU A 88 2.496 -7.611 -6.387 1.00 0.63 H new ATOM 0 HB3 LEU A 88 2.864 -7.359 -8.081 1.00 0.63 H new ATOM 0 HG LEU A 88 3.985 -9.577 -6.345 1.00 0.70 H new ATOM 0 HD11 LEU A 88 2.568 -11.048 -7.734 1.00 1.54 H new ATOM 0 HD12 LEU A 88 1.598 -9.862 -6.828 1.00 1.54 H new ATOM 0 HD13 LEU A 88 1.908 -9.618 -8.563 1.00 1.54 H new ATOM 0 HD21 LEU A 88 4.854 -10.496 -8.461 1.00 1.48 H new ATOM 0 HD22 LEU A 88 4.276 -9.048 -9.320 1.00 1.48 H new ATOM 0 HD23 LEU A 88 5.558 -8.903 -8.094 1.00 1.48 H new ATOM 1527 N VAL A 89 4.843 -4.541 -7.437 1.00 0.78 N ATOM 1528 CA VAL A 89 4.513 -3.133 -7.591 1.00 0.93 C ATOM 1529 C VAL A 89 4.047 -2.871 -9.017 1.00 1.07 C ATOM 1530 O VAL A 89 4.754 -3.195 -9.977 1.00 1.19 O ATOM 1531 CB VAL A 89 5.709 -2.218 -7.260 1.00 1.10 C ATOM 1532 CG1 VAL A 89 5.257 -0.772 -7.144 1.00 1.31 C ATOM 1533 CG2 VAL A 89 6.402 -2.669 -5.981 1.00 1.11 C ATOM 0 H VAL A 89 5.735 -4.816 -7.849 1.00 0.78 H new ATOM 0 HA VAL A 89 3.715 -2.901 -6.886 1.00 0.93 H new ATOM 0 HB VAL A 89 6.428 -2.290 -8.076 1.00 1.10 H new ATOM 0 HG11 VAL A 89 6.114 -0.141 -6.910 1.00 1.31 H new ATOM 0 HG12 VAL A 89 4.817 -0.451 -8.088 1.00 1.31 H new ATOM 0 HG13 VAL A 89 4.515 -0.685 -6.350 1.00 1.31 H new ATOM 0 HG21 VAL A 89 7.242 -2.007 -5.770 1.00 1.11 H new ATOM 0 HG22 VAL A 89 5.695 -2.634 -5.152 1.00 1.11 H new ATOM 0 HG23 VAL A 89 6.766 -3.689 -6.105 1.00 1.11 H new ATOM 1543 N ASN A 90 2.842 -2.314 -9.142 1.00 1.13 N ATOM 1544 CA ASN A 90 2.200 -2.095 -10.440 1.00 1.36 C ATOM 1545 C ASN A 90 2.068 -3.406 -11.203 1.00 1.43 C ATOM 1546 O ASN A 90 2.088 -3.429 -12.433 1.00 1.64 O ATOM 1547 CB ASN A 90 2.968 -1.067 -11.283 1.00 1.58 C ATOM 1548 CG ASN A 90 2.864 0.350 -10.746 1.00 1.62 C ATOM 1549 OD1 ASN A 90 3.775 1.157 -10.921 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.751 0.672 -10.103 1.00 1.89 N ATOM 0 H ASN A 90 2.283 -2.002 -8.348 1.00 1.13 H new ATOM 0 HA ASN A 90 1.204 -1.696 -10.248 1.00 1.36 H new ATOM 0 HB2 ASN A 90 4.018 -1.355 -11.326 1.00 1.58 H new ATOM 0 HB3 ASN A 90 2.589 -1.089 -12.305 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.629 1.615 -9.735 1.00 1.89 H new ATOM 0 HD22 ASN A 90 1.016 -0.024 -9.976 1.00 1.89 H new ATOM 1557 N ASN A 91 1.935 -4.497 -10.447 1.00 1.31 N ATOM 1558 CA ASN A 91 1.767 -5.842 -11.001 1.00 1.48 C ATOM 1559 C ASN A 91 2.944 -6.258 -11.885 1.00 1.59 C ATOM 1560 O ASN A 91 2.826 -7.191 -12.680 1.00 1.80 O ATOM 1561 CB ASN A 91 0.466 -5.944 -11.808 1.00 1.73 C ATOM 1562 CG ASN A 91 -0.776 -5.693 -10.972 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.795 -5.950 -9.767 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -1.823 -5.196 -11.609 1.00 2.31 N ATOM 0 H ASN A 91 1.941 -4.472 -9.427 1.00 1.31 H new ATOM 0 HA ASN A 91 1.724 -6.522 -10.150 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.496 -5.225 -12.627 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.401 -6.935 -12.256 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -2.688 -5.011 -11.101 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -1.765 -4.997 -12.608 1.00 2.31 H new ATOM 1571 N LYS A 92 4.084 -5.590 -11.744 1.00 1.53 N ATOM 1572 CA LYS A 92 5.229 -5.885 -12.596 1.00 1.72 C ATOM 1573 C LYS A 92 6.525 -5.963 -11.797 1.00 1.45 C ATOM 1574 O LYS A 92 7.194 -6.995 -11.796 1.00 1.47 O ATOM 1575 CB LYS A 92 5.357 -4.836 -13.703 1.00 2.06 C ATOM 1576 CG LYS A 92 6.517 -5.096 -14.652 1.00 2.55 C ATOM 1577 CD LYS A 92 6.512 -4.127 -15.821 1.00 3.00 C ATOM 1578 CE LYS A 92 7.707 -4.354 -16.731 1.00 3.63 C ATOM 1579 NZ LYS A 92 7.746 -5.741 -17.266 1.00 3.95 N ATOM 0 H LYS A 92 4.239 -4.851 -11.058 1.00 1.53 H new ATOM 0 HA LYS A 92 5.056 -6.862 -13.046 1.00 1.72 H new ATOM 0 HB2 LYS A 92 4.429 -4.807 -14.275 1.00 2.06 H new ATOM 0 HB3 LYS A 92 5.482 -3.853 -13.249 1.00 2.06 H new ATOM 0 HG2 LYS A 92 7.458 -5.007 -14.110 1.00 2.55 H new ATOM 0 HG3 LYS A 92 6.460 -6.118 -15.026 1.00 2.55 H new ATOM 0 HD2 LYS A 92 5.590 -4.246 -16.391 1.00 3.00 H new ATOM 0 HD3 LYS A 92 6.526 -3.103 -15.447 1.00 3.00 H new ATOM 0 HE2 LYS A 92 7.671 -3.647 -17.560 1.00 3.63 H new ATOM 0 HE3 LYS A 92 8.626 -4.152 -16.180 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 8.436 -5.794 -18.043 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 8.026 -6.397 -16.509 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 6.804 -6.003 -17.621 1.00 3.95 H new ATOM 1593 N SER A 93 6.872 -4.874 -11.122 1.00 1.35 N ATOM 1594 CA SER A 93 8.137 -4.797 -10.407 1.00 1.32 C ATOM 1595 C SER A 93 8.126 -5.732 -9.205 1.00 0.95 C ATOM 1596 O SER A 93 7.173 -5.744 -8.420 1.00 0.79 O ATOM 1597 CB SER A 93 8.401 -3.358 -9.959 1.00 1.67 C ATOM 1598 OG SER A 93 9.740 -3.184 -9.516 1.00 2.32 O ATOM 0 H SER A 93 6.296 -4.035 -11.056 1.00 1.35 H new ATOM 0 HA SER A 93 8.937 -5.108 -11.078 1.00 1.32 H new ATOM 0 HB2 SER A 93 8.199 -2.677 -10.785 1.00 1.67 H new ATOM 0 HB3 SER A 93 7.714 -3.095 -9.154 1.00 1.67 H new ATOM 0 HG SER A 93 10.109 -2.364 -9.905 1.00 2.32 H new ATOM 1604 N LEU A 94 9.186 -6.517 -9.078 1.00 0.99 N ATOM 1605 CA LEU A 94 9.319 -7.457 -7.978 1.00 0.89 C ATOM 1606 C LEU A 94 9.942 -6.772 -6.768 1.00 1.29 C ATOM 1607 O LEU A 94 10.065 -5.547 -6.729 1.00 1.99 O ATOM 1608 CB LEU A 94 10.174 -8.671 -8.381 1.00 1.28 C ATOM 1609 CG LEU A 94 9.586 -9.599 -9.456 1.00 1.37 C ATOM 1610 CD1 LEU A 94 8.149 -9.968 -9.130 1.00 1.82 C ATOM 1611 CD2 LEU A 94 9.682 -8.972 -10.840 1.00 2.04 C ATOM 0 H LEU A 94 9.971 -6.520 -9.729 1.00 0.99 H new ATOM 0 HA LEU A 94 8.320 -7.809 -7.721 1.00 0.89 H new ATOM 0 HB2 LEU A 94 11.138 -8.306 -8.736 1.00 1.28 H new ATOM 0 HB3 LEU A 94 10.367 -9.264 -7.487 1.00 1.28 H new ATOM 0 HG LEU A 94 10.179 -10.514 -9.462 1.00 1.37 H new ATOM 0 HD11 LEU A 94 7.757 -10.625 -9.906 1.00 1.82 H new ATOM 0 HD12 LEU A 94 8.114 -10.481 -8.169 1.00 1.82 H new ATOM 0 HD13 LEU A 94 7.543 -9.063 -9.081 1.00 1.82 H new ATOM 0 HD21 LEU A 94 9.258 -9.653 -11.578 1.00 2.04 H new ATOM 0 HD22 LEU A 94 9.129 -8.033 -10.853 1.00 2.04 H new ATOM 0 HD23 LEU A 94 10.728 -8.781 -11.081 1.00 2.04 H new ATOM 1623 N VAL A 95 10.340 -7.565 -5.788 1.00 1.62 N ATOM 1624 CA VAL A 95 10.938 -7.037 -4.574 1.00 2.26 C ATOM 1625 C VAL A 95 12.361 -6.526 -4.828 1.00 1.64 C ATOM 1626 O VAL A 95 13.322 -7.294 -4.895 1.00 1.76 O ATOM 1627 CB VAL A 95 10.927 -8.090 -3.435 1.00 3.39 C ATOM 1628 CG1 VAL A 95 11.507 -9.418 -3.902 1.00 4.29 C ATOM 1629 CG2 VAL A 95 11.669 -7.574 -2.210 1.00 3.92 C ATOM 0 H VAL A 95 10.259 -8.582 -5.810 1.00 1.62 H new ATOM 0 HA VAL A 95 10.330 -6.191 -4.255 1.00 2.26 H new ATOM 0 HB VAL A 95 9.888 -8.263 -3.155 1.00 3.39 H new ATOM 0 HG11 VAL A 95 11.485 -10.134 -3.080 1.00 4.29 H new ATOM 0 HG12 VAL A 95 10.915 -9.801 -4.733 1.00 4.29 H new ATOM 0 HG13 VAL A 95 12.537 -9.271 -4.227 1.00 4.29 H new ATOM 0 HG21 VAL A 95 11.647 -8.331 -1.426 1.00 3.92 H new ATOM 0 HG22 VAL A 95 12.704 -7.357 -2.476 1.00 3.92 H new ATOM 0 HG23 VAL A 95 11.188 -6.664 -1.850 1.00 3.92 H new ATOM 1639 N SER A 96 12.486 -5.222 -5.003 1.00 1.30 N ATOM 1640 CA SER A 96 13.791 -4.605 -5.132 1.00 0.98 C ATOM 1641 C SER A 96 14.243 -4.093 -3.770 1.00 0.84 C ATOM 1642 O SER A 96 13.994 -2.946 -3.407 1.00 0.92 O ATOM 1643 CB SER A 96 13.751 -3.462 -6.152 1.00 1.28 C ATOM 1644 OG SER A 96 15.056 -2.971 -6.416 1.00 1.90 O ATOM 0 H SER A 96 11.701 -4.573 -5.059 1.00 1.30 H new ATOM 0 HA SER A 96 14.504 -5.347 -5.491 1.00 0.98 H new ATOM 0 HB2 SER A 96 13.296 -3.812 -7.078 1.00 1.28 H new ATOM 0 HB3 SER A 96 13.124 -2.654 -5.774 1.00 1.28 H new ATOM 0 HG SER A 96 15.006 -2.243 -7.071 1.00 1.90 H new ATOM 1650 N MET A 97 14.917 -4.956 -3.020 1.00 0.90 N ATOM 1651 CA MET A 97 15.317 -4.641 -1.651 1.00 0.98 C ATOM 1652 C MET A 97 16.427 -3.594 -1.612 1.00 0.85 C ATOM 1653 O MET A 97 16.615 -2.916 -0.599 1.00 1.03 O ATOM 1654 CB MET A 97 15.766 -5.909 -0.919 1.00 1.25 C ATOM 1655 CG MET A 97 16.937 -6.619 -1.581 1.00 1.56 C ATOM 1656 SD MET A 97 17.441 -8.105 -0.692 1.00 2.24 S ATOM 1657 CE MET A 97 18.715 -8.727 -1.787 1.00 2.85 C ATOM 0 H MET A 97 15.200 -5.883 -3.337 1.00 0.90 H new ATOM 0 HA MET A 97 14.446 -4.224 -1.145 1.00 0.98 H new ATOM 0 HB2 MET A 97 16.042 -5.649 0.103 1.00 1.25 H new ATOM 0 HB3 MET A 97 14.924 -6.598 -0.856 1.00 1.25 H new ATOM 0 HG2 MET A 97 16.665 -6.886 -2.602 1.00 1.56 H new ATOM 0 HG3 MET A 97 17.783 -5.934 -1.645 1.00 1.56 H new ATOM 0 HE1 MET A 97 19.129 -9.648 -1.377 1.00 2.85 H new ATOM 0 HE2 MET A 97 18.285 -8.928 -2.768 1.00 2.85 H new ATOM 0 HE3 MET A 97 19.507 -7.984 -1.883 1.00 2.85 H new ATOM 1667 N SER A 98 17.143 -3.450 -2.718 1.00 0.68 N ATOM 1668 CA SER A 98 18.270 -2.531 -2.782 1.00 0.71 C ATOM 1669 C SER A 98 17.798 -1.122 -3.116 1.00 0.61 C ATOM 1670 O SER A 98 18.553 -0.158 -3.003 1.00 0.71 O ATOM 1671 CB SER A 98 19.273 -3.011 -3.831 1.00 0.83 C ATOM 1672 OG SER A 98 19.586 -4.382 -3.641 1.00 1.60 O ATOM 0 H SER A 98 16.963 -3.958 -3.584 1.00 0.68 H new ATOM 0 HA SER A 98 18.755 -2.508 -1.806 1.00 0.71 H new ATOM 0 HB2 SER A 98 18.861 -2.863 -4.829 1.00 0.83 H new ATOM 0 HB3 SER A 98 20.183 -2.414 -3.770 1.00 0.83 H new ATOM 0 HG SER A 98 20.228 -4.669 -4.324 1.00 1.60 H new ATOM 1678 N ALA A 99 16.542 -1.009 -3.518 1.00 0.49 N ATOM 1679 CA ALA A 99 15.977 0.271 -3.895 1.00 0.46 C ATOM 1680 C ALA A 99 15.469 1.011 -2.668 1.00 0.43 C ATOM 1681 O ALA A 99 14.979 0.397 -1.719 1.00 0.44 O ATOM 1682 CB ALA A 99 14.853 0.067 -4.896 1.00 0.51 C ATOM 0 H ALA A 99 15.894 -1.794 -3.591 1.00 0.49 H new ATOM 0 HA ALA A 99 16.756 0.875 -4.360 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.434 1.034 -5.174 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.243 -0.429 -5.785 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.075 -0.551 -4.448 1.00 0.51 H new ATOM 1688 N THR A 100 15.613 2.324 -2.675 1.00 0.42 N ATOM 1689 CA THR A 100 15.110 3.144 -1.589 1.00 0.41 C ATOM 1690 C THR A 100 13.647 3.484 -1.815 1.00 0.41 C ATOM 1691 O THR A 100 13.154 3.384 -2.942 1.00 0.40 O ATOM 1692 CB THR A 100 15.913 4.451 -1.442 1.00 0.41 C ATOM 1693 OG1 THR A 100 15.916 5.168 -2.685 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.342 4.164 -1.008 1.00 0.47 C ATOM 0 H THR A 100 16.074 2.845 -3.421 1.00 0.42 H new ATOM 0 HA THR A 100 15.219 2.565 -0.672 1.00 0.41 H new ATOM 0 HB THR A 100 15.436 5.061 -0.675 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.474 4.693 -3.335 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.888 5.102 -0.911 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.334 3.648 -0.048 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.829 3.536 -1.753 1.00 0.47 H new ATOM 1702 N MET A 101 12.955 3.881 -0.756 1.00 0.43 N ATOM 1703 CA MET A 101 11.564 4.303 -0.877 1.00 0.45 C ATOM 1704 C MET A 101 11.439 5.439 -1.884 1.00 0.39 C ATOM 1705 O MET A 101 10.478 5.502 -2.646 1.00 0.39 O ATOM 1706 CB MET A 101 11.009 4.740 0.479 1.00 0.54 C ATOM 1707 CG MET A 101 10.890 3.617 1.502 1.00 0.71 C ATOM 1708 SD MET A 101 9.683 2.353 1.039 1.00 1.18 S ATOM 1709 CE MET A 101 10.688 1.206 0.094 1.00 0.89 C ATOM 0 H MET A 101 13.330 3.920 0.192 1.00 0.43 H new ATOM 0 HA MET A 101 10.981 3.452 -1.231 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.652 5.520 0.887 1.00 0.54 H new ATOM 0 HB3 MET A 101 10.025 5.184 0.329 1.00 0.54 H new ATOM 0 HG2 MET A 101 11.865 3.148 1.632 1.00 0.71 H new ATOM 0 HG3 MET A 101 10.610 4.041 2.466 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.372 1.220 -0.949 1.00 0.89 H new ATOM 0 HE2 MET A 101 11.735 1.500 0.160 1.00 0.89 H new ATOM 0 HE3 MET A 101 10.568 0.200 0.496 1.00 0.89 H new ATOM 1719 N ALA A 102 12.438 6.318 -1.892 1.00 0.38 N ATOM 1720 CA ALA A 102 12.465 7.447 -2.813 1.00 0.37 C ATOM 1721 C ALA A 102 12.402 6.978 -4.261 1.00 0.35 C ATOM 1722 O ALA A 102 11.569 7.446 -5.035 1.00 0.39 O ATOM 1723 CB ALA A 102 13.712 8.282 -2.583 1.00 0.37 C ATOM 0 H ALA A 102 13.242 6.268 -1.267 1.00 0.38 H new ATOM 0 HA ALA A 102 11.586 8.062 -2.620 1.00 0.37 H new ATOM 0 HB1 ALA A 102 13.720 9.122 -3.277 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.715 8.657 -1.559 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.597 7.667 -2.747 1.00 0.37 H new ATOM 1729 N GLU A 103 13.278 6.043 -4.616 1.00 0.34 N ATOM 1730 CA GLU A 103 13.318 5.504 -5.975 1.00 0.36 C ATOM 1731 C GLU A 103 12.000 4.831 -6.339 1.00 0.37 C ATOM 1732 O GLU A 103 11.435 5.079 -7.406 1.00 0.39 O ATOM 1733 CB GLU A 103 14.452 4.495 -6.102 1.00 0.39 C ATOM 1734 CG GLU A 103 15.802 5.072 -5.747 1.00 0.40 C ATOM 1735 CD GLU A 103 16.876 4.013 -5.663 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.435 3.643 -6.718 1.00 0.53 O ATOM 1737 OE2 GLU A 103 17.160 3.544 -4.542 1.00 0.46 O ATOM 0 H GLU A 103 13.970 5.642 -3.983 1.00 0.34 H new ATOM 0 HA GLU A 103 13.485 6.335 -6.661 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.246 3.643 -5.454 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.482 4.118 -7.124 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.085 5.814 -6.494 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.732 5.592 -4.791 1.00 0.40 H new ATOM 1744 N ILE A 104 11.523 3.979 -5.441 1.00 0.36 N ATOM 1745 CA ILE A 104 10.273 3.253 -5.655 1.00 0.37 C ATOM 1746 C ILE A 104 9.110 4.222 -5.864 1.00 0.36 C ATOM 1747 O ILE A 104 8.338 4.083 -6.813 1.00 0.38 O ATOM 1748 CB ILE A 104 9.956 2.309 -4.470 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.033 1.223 -4.346 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.578 1.677 -4.633 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.141 0.324 -5.563 1.00 0.45 C ATOM 0 H ILE A 104 11.983 3.772 -4.554 1.00 0.36 H new ATOM 0 HA ILE A 104 10.401 2.649 -6.553 1.00 0.37 H new ATOM 0 HB ILE A 104 9.953 2.901 -3.555 1.00 0.38 H new ATOM 0 HG12 ILE A 104 11.998 1.700 -4.172 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.818 0.610 -3.471 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.378 1.018 -3.788 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.821 2.460 -4.670 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.549 1.101 -5.558 1.00 0.39 H new ATOM 0 HD11 ILE A 104 11.923 -0.417 -5.399 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.190 -0.182 -5.727 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.388 0.925 -6.438 1.00 0.45 H new ATOM 1763 N TYR A 105 9.008 5.214 -4.991 1.00 0.36 N ATOM 1764 CA TYR A 105 7.960 6.221 -5.090 1.00 0.39 C ATOM 1765 C TYR A 105 8.087 7.004 -6.392 1.00 0.41 C ATOM 1766 O TYR A 105 7.102 7.245 -7.082 1.00 0.44 O ATOM 1767 CB TYR A 105 8.030 7.177 -3.896 1.00 0.42 C ATOM 1768 CG TYR A 105 6.993 8.277 -3.938 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.641 7.978 -3.876 1.00 1.45 C ATOM 1770 CD2 TYR A 105 7.367 9.612 -4.038 1.00 1.12 C ATOM 1771 CE1 TYR A 105 4.689 8.972 -3.917 1.00 1.56 C ATOM 1772 CE2 TYR A 105 6.418 10.616 -4.077 1.00 1.11 C ATOM 1773 CZ TYR A 105 5.081 10.290 -4.018 1.00 0.71 C ATOM 1774 OH TYR A 105 4.127 11.280 -4.058 1.00 0.86 O ATOM 0 H TYR A 105 9.642 5.344 -4.202 1.00 0.36 H new ATOM 0 HA TYR A 105 6.996 5.713 -5.083 1.00 0.39 H new ATOM 0 HB2 TYR A 105 7.904 6.606 -2.976 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.022 7.626 -3.859 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.329 6.947 -3.794 1.00 1.45 H new ATOM 0 HD2 TYR A 105 8.415 9.869 -4.086 1.00 1.12 H new ATOM 0 HE1 TYR A 105 3.640 8.720 -3.870 1.00 1.56 H new ATOM 0 HE2 TYR A 105 6.723 11.649 -4.153 1.00 1.11 H new ATOM 0 HH TYR A 105 3.238 10.882 -3.954 1.00 0.86 H new ATOM 1784 N ARG A 106 9.313 7.369 -6.723 1.00 0.44 N ATOM 1785 CA ARG A 106 9.600 8.158 -7.914 1.00 0.50 C ATOM 1786 C ARG A 106 9.069 7.482 -9.177 1.00 0.51 C ATOM 1787 O ARG A 106 8.471 8.133 -10.035 1.00 0.58 O ATOM 1788 CB ARG A 106 11.110 8.350 -8.035 1.00 0.56 C ATOM 1789 CG ARG A 106 11.547 9.090 -9.284 1.00 1.25 C ATOM 1790 CD ARG A 106 13.029 8.886 -9.538 1.00 1.75 C ATOM 1791 NE ARG A 106 13.348 7.475 -9.764 1.00 2.50 N ATOM 1792 CZ ARG A 106 14.569 6.955 -9.684 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.609 7.712 -9.348 1.00 3.62 N ATOM 1794 NH2 ARG A 106 14.739 5.667 -9.935 1.00 4.23 N ATOM 0 H ARG A 106 10.139 7.128 -6.176 1.00 0.44 H new ATOM 0 HA ARG A 106 9.101 9.122 -7.814 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.466 8.895 -7.161 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.591 7.372 -8.019 1.00 0.56 H new ATOM 0 HG2 ARG A 106 10.974 8.736 -10.141 1.00 1.25 H new ATOM 0 HG3 ARG A 106 11.335 10.154 -9.175 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.334 9.472 -10.405 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.599 9.257 -8.686 1.00 1.75 H new ATOM 0 HE ARG A 106 12.580 6.847 -9.999 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.475 8.703 -9.148 1.00 3.62 H new ATOM 0 HH12 ARG A 106 16.541 7.302 -9.290 1.00 3.62 H new ATOM 0 HH21 ARG A 106 13.939 5.086 -10.186 1.00 4.23 H new ATOM 0 HH22 ARG A 106 15.670 5.255 -9.877 1.00 4.23 H new ATOM 1808 N ASP A 107 9.282 6.181 -9.281 1.00 0.50 N ATOM 1809 CA ASP A 107 8.936 5.451 -10.495 1.00 0.55 C ATOM 1810 C ASP A 107 7.514 4.902 -10.465 1.00 0.51 C ATOM 1811 O ASP A 107 6.834 4.879 -11.491 1.00 0.62 O ATOM 1812 CB ASP A 107 9.913 4.295 -10.731 1.00 0.61 C ATOM 1813 CG ASP A 107 11.261 4.755 -11.248 1.00 0.96 C ATOM 1814 OD1 ASP A 107 11.395 4.967 -12.473 1.00 1.77 O ATOM 1815 OD2 ASP A 107 12.194 4.906 -10.437 1.00 1.49 O ATOM 0 H ASP A 107 9.691 5.608 -8.543 1.00 0.50 H new ATOM 0 HA ASP A 107 9.003 6.170 -11.312 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.055 3.750 -9.798 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.475 3.597 -11.444 1.00 0.61 H new ATOM 1820 N TYR A 108 7.062 4.458 -9.301 1.00 0.41 N ATOM 1821 CA TYR A 108 5.819 3.694 -9.225 1.00 0.39 C ATOM 1822 C TYR A 108 4.705 4.436 -8.492 1.00 0.38 C ATOM 1823 O TYR A 108 3.718 3.823 -8.085 1.00 0.40 O ATOM 1824 CB TYR A 108 6.079 2.354 -8.543 1.00 0.40 C ATOM 1825 CG TYR A 108 7.161 1.545 -9.215 1.00 0.45 C ATOM 1826 CD1 TYR A 108 6.887 0.796 -10.350 1.00 1.32 C ATOM 1827 CD2 TYR A 108 8.454 1.537 -8.717 1.00 1.20 C ATOM 1828 CE1 TYR A 108 7.873 0.060 -10.971 1.00 1.36 C ATOM 1829 CE2 TYR A 108 9.450 0.802 -9.329 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.155 0.065 -10.457 1.00 0.63 C ATOM 1831 OH TYR A 108 10.140 -0.673 -11.072 1.00 0.75 O ATOM 0 H TYR A 108 7.528 4.609 -8.406 1.00 0.41 H new ATOM 0 HA TYR A 108 5.478 3.541 -10.249 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.358 2.530 -7.504 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.156 1.775 -8.531 1.00 0.40 H new ATOM 0 HD1 TYR A 108 5.885 0.789 -10.753 1.00 1.32 H new ATOM 0 HD2 TYR A 108 8.687 2.115 -7.835 1.00 1.20 H new ATOM 0 HE1 TYR A 108 7.644 -0.517 -11.855 1.00 1.36 H new ATOM 0 HE2 TYR A 108 10.453 0.804 -8.927 1.00 1.25 H new ATOM 0 HH TYR A 108 10.984 -0.561 -10.587 1.00 0.75 H new ATOM 1841 N LYS A 109 4.852 5.740 -8.318 1.00 0.42 N ATOM 1842 CA LYS A 109 3.791 6.535 -7.706 1.00 0.45 C ATOM 1843 C LYS A 109 2.540 6.532 -8.581 1.00 0.43 C ATOM 1844 O LYS A 109 2.624 6.572 -9.809 1.00 0.49 O ATOM 1845 CB LYS A 109 4.246 7.977 -7.465 1.00 0.55 C ATOM 1846 CG LYS A 109 4.676 8.713 -8.727 1.00 0.98 C ATOM 1847 CD LYS A 109 4.992 10.175 -8.445 1.00 0.95 C ATOM 1848 CE LYS A 109 3.754 10.950 -8.007 1.00 1.05 C ATOM 1849 NZ LYS A 109 2.675 10.913 -9.034 1.00 1.82 N ATOM 0 H LYS A 109 5.683 6.268 -8.587 1.00 0.42 H new ATOM 0 HA LYS A 109 3.556 6.079 -6.744 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.433 8.529 -6.995 1.00 0.55 H new ATOM 0 HB3 LYS A 109 5.077 7.971 -6.760 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.554 8.226 -9.151 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.884 8.649 -9.473 1.00 0.98 H new ATOM 0 HD2 LYS A 109 5.754 10.238 -7.668 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.411 10.635 -9.340 1.00 0.95 H new ATOM 0 HE2 LYS A 109 3.378 10.533 -7.072 1.00 1.05 H new ATOM 0 HE3 LYS A 109 4.028 11.986 -7.807 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 2.198 11.836 -9.070 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 3.088 10.701 -9.964 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 1.984 10.176 -8.786 1.00 1.82 H new ATOM 1863 N ASP A 110 1.385 6.482 -7.939 1.00 0.39 N ATOM 1864 CA ASP A 110 0.111 6.504 -8.641 1.00 0.43 C ATOM 1865 C ASP A 110 -0.268 7.945 -8.970 1.00 0.50 C ATOM 1866 O ASP A 110 0.443 8.879 -8.584 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.979 5.847 -7.781 1.00 0.48 C ATOM 1868 CG ASP A 110 -2.210 5.438 -8.571 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -3.113 6.281 -8.776 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -2.292 4.266 -8.984 1.00 1.20 O ATOM 0 H ASP A 110 1.303 6.425 -6.924 1.00 0.39 H new ATOM 0 HA ASP A 110 0.203 5.941 -9.570 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.563 4.967 -7.291 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.276 6.540 -6.994 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.380 8.134 -9.659 1.00 0.60 N ATOM 1876 CA GLU A 111 -1.810 9.464 -10.062 1.00 0.71 C ATOM 1877 C GLU A 111 -2.230 10.281 -8.842 1.00 0.65 C ATOM 1878 O GLU A 111 -2.048 11.499 -8.800 1.00 0.74 O ATOM 1879 CB GLU A 111 -2.972 9.364 -11.052 1.00 0.87 C ATOM 1880 CG GLU A 111 -3.316 10.681 -11.726 1.00 1.94 C ATOM 1881 CD GLU A 111 -2.235 11.149 -12.678 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -1.287 11.827 -12.229 1.00 2.97 O ATOM 1883 OE2 GLU A 111 -2.332 10.843 -13.884 1.00 2.86 O ATOM 0 H GLU A 111 -2.004 7.382 -9.952 1.00 0.60 H new ATOM 0 HA GLU A 111 -0.974 9.967 -10.547 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -2.723 8.629 -11.817 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.853 8.993 -10.528 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -4.253 10.571 -12.272 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -3.478 11.443 -10.964 1.00 1.94 H new ATOM 1890 N ASP A 112 -2.769 9.600 -7.837 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.243 10.273 -6.631 1.00 0.55 C ATOM 1892 C ASP A 112 -2.082 10.698 -5.736 1.00 0.52 C ATOM 1893 O ASP A 112 -2.263 11.480 -4.803 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.227 9.391 -5.848 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.692 8.009 -5.507 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.465 7.849 -5.362 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.517 7.074 -5.378 1.00 0.63 O ATOM 0 H ASP A 112 -2.889 8.587 -7.832 1.00 0.57 H new ATOM 0 HA ASP A 112 -3.771 11.171 -6.952 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.498 9.901 -4.924 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.141 9.280 -6.431 1.00 0.59 H new ATOM 1902 N GLY A 113 -0.892 10.192 -6.034 1.00 0.47 N ATOM 1903 CA GLY A 113 0.287 10.613 -5.308 1.00 0.45 C ATOM 1904 C GLY A 113 0.798 9.566 -4.339 1.00 0.36 C ATOM 1905 O GLY A 113 1.854 9.743 -3.733 1.00 0.37 O ATOM 0 H GLY A 113 -0.724 9.499 -6.764 1.00 0.47 H new ATOM 0 HA2 GLY A 113 1.076 10.856 -6.019 1.00 0.45 H new ATOM 0 HA3 GLY A 113 0.060 11.527 -4.759 1.00 0.45 H new ATOM 1909 N PHE A 114 0.056 8.484 -4.178 1.00 0.39 N ATOM 1910 CA PHE A 114 0.487 7.398 -3.307 1.00 0.34 C ATOM 1911 C PHE A 114 1.213 6.332 -4.111 1.00 0.34 C ATOM 1912 O PHE A 114 1.045 6.240 -5.322 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.709 6.763 -2.595 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.309 7.622 -1.523 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -0.828 7.559 -0.227 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -2.353 8.485 -1.805 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -1.377 8.338 0.770 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -2.906 9.269 -0.814 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.417 9.195 0.476 1.00 0.54 C ATOM 0 H PHE A 114 -0.843 8.332 -4.635 1.00 0.39 H new ATOM 0 HA PHE A 114 1.163 7.817 -2.562 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.477 6.532 -3.333 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.396 5.817 -2.154 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -0.012 6.891 0.007 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -2.739 8.545 -2.812 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -0.994 8.277 1.778 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -3.720 9.940 -1.046 1.00 1.35 H new ATOM 0 HZ PHE A 114 -2.849 9.808 1.254 1.00 0.54 H new ATOM 1929 N VAL A 115 2.034 5.540 -3.447 1.00 0.29 N ATOM 1930 CA VAL A 115 2.645 4.393 -4.095 1.00 0.30 C ATOM 1931 C VAL A 115 2.033 3.105 -3.546 1.00 0.27 C ATOM 1932 O VAL A 115 2.182 2.775 -2.368 1.00 0.31 O ATOM 1933 CB VAL A 115 4.191 4.387 -3.955 1.00 0.37 C ATOM 1934 CG1 VAL A 115 4.625 4.475 -2.503 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.787 3.158 -4.622 1.00 1.06 C ATOM 0 H VAL A 115 2.292 5.667 -2.468 1.00 0.29 H new ATOM 0 HA VAL A 115 2.437 4.461 -5.163 1.00 0.30 H new ATOM 0 HB VAL A 115 4.569 5.274 -4.463 1.00 0.37 H new ATOM 0 HG11 VAL A 115 5.714 4.468 -2.448 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.245 5.398 -2.065 1.00 0.89 H new ATOM 0 HG13 VAL A 115 4.228 3.622 -1.952 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.871 3.174 -4.512 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.388 2.259 -4.152 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.530 3.158 -5.681 1.00 1.06 H new ATOM 1945 N TYR A 116 1.307 2.404 -4.401 1.00 0.33 N ATOM 1946 CA TYR A 116 0.588 1.207 -4.000 1.00 0.34 C ATOM 1947 C TYR A 116 1.413 -0.036 -4.276 1.00 0.38 C ATOM 1948 O TYR A 116 1.696 -0.375 -5.426 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.755 1.126 -4.726 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.686 2.263 -4.375 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.627 3.472 -5.058 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -2.616 2.133 -3.354 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -2.465 4.516 -4.730 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.461 3.174 -3.022 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.379 4.364 -3.711 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.217 5.406 -3.385 1.00 0.54 O ATOM 0 H TYR A 116 1.200 2.647 -5.386 1.00 0.33 H new ATOM 0 HA TYR A 116 0.404 1.263 -2.927 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.581 1.126 -5.802 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -1.238 0.180 -4.481 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.913 3.595 -5.859 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -2.680 1.202 -2.810 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -2.405 5.449 -5.270 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -4.182 3.056 -2.227 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.596 5.789 -4.203 1.00 0.54 H new ATOM 1966 N MET A 117 1.795 -0.714 -3.212 1.00 0.35 N ATOM 1967 CA MET A 117 2.618 -1.902 -3.319 1.00 0.39 C ATOM 1968 C MET A 117 1.879 -3.100 -2.758 1.00 0.34 C ATOM 1969 O MET A 117 1.500 -3.121 -1.588 1.00 0.45 O ATOM 1970 CB MET A 117 3.938 -1.705 -2.574 1.00 0.49 C ATOM 1971 CG MET A 117 4.744 -0.514 -3.071 1.00 0.65 C ATOM 1972 SD MET A 117 6.224 -0.198 -2.085 1.00 0.70 S ATOM 1973 CE MET A 117 7.149 -1.708 -2.353 1.00 1.19 C ATOM 0 H MET A 117 1.546 -0.460 -2.256 1.00 0.35 H new ATOM 0 HA MET A 117 2.835 -2.081 -4.372 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.731 -1.575 -1.512 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.540 -2.608 -2.673 1.00 0.49 H new ATOM 0 HG2 MET A 117 5.035 -0.687 -4.107 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.112 0.374 -3.062 1.00 0.65 H new ATOM 0 HE1 MET A 117 8.173 -1.574 -2.005 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.682 -2.524 -1.801 1.00 1.19 H new ATOM 0 HE3 MET A 117 7.156 -1.947 -3.417 1.00 1.19 H new ATOM 1983 N THR A 118 1.663 -4.087 -3.599 1.00 0.34 N ATOM 1984 CA THR A 118 1.002 -5.307 -3.183 1.00 0.33 C ATOM 1985 C THR A 118 2.023 -6.411 -2.978 1.00 0.33 C ATOM 1986 O THR A 118 3.074 -6.414 -3.615 1.00 0.37 O ATOM 1987 CB THR A 118 -0.041 -5.765 -4.221 1.00 0.43 C ATOM 1988 OG1 THR A 118 0.470 -5.585 -5.550 1.00 0.92 O ATOM 1989 CG2 THR A 118 -1.347 -5.005 -4.067 1.00 0.85 C ATOM 0 H THR A 118 1.937 -4.069 -4.581 1.00 0.34 H new ATOM 0 HA THR A 118 0.488 -5.100 -2.244 1.00 0.33 H new ATOM 0 HB THR A 118 -0.239 -6.823 -4.048 1.00 0.43 H new ATOM 0 HG1 THR A 118 1.447 -5.662 -5.538 1.00 0.92 H new ATOM 0 HG21 THR A 118 -2.060 -5.352 -4.814 1.00 0.85 H new ATOM 0 HG22 THR A 118 -1.753 -5.177 -3.070 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.166 -3.939 -4.206 1.00 0.85 H new ATOM 1997 N TYR A 119 1.731 -7.336 -2.083 1.00 0.35 N ATOM 1998 CA TYR A 119 2.595 -8.486 -1.902 1.00 0.41 C ATOM 1999 C TYR A 119 1.853 -9.766 -2.230 1.00 0.48 C ATOM 2000 O TYR A 119 0.655 -9.894 -1.967 1.00 0.49 O ATOM 2001 CB TYR A 119 3.180 -8.553 -0.486 1.00 0.42 C ATOM 2002 CG TYR A 119 2.180 -8.364 0.637 1.00 0.39 C ATOM 2003 CD1 TYR A 119 1.254 -9.352 0.951 1.00 1.18 C ATOM 2004 CD2 TYR A 119 2.176 -7.200 1.391 1.00 1.09 C ATOM 2005 CE1 TYR A 119 0.349 -9.181 1.979 1.00 1.20 C ATOM 2006 CE2 TYR A 119 1.274 -7.021 2.422 1.00 1.15 C ATOM 2007 CZ TYR A 119 0.362 -8.013 2.711 1.00 0.56 C ATOM 2008 OH TYR A 119 -0.541 -7.838 3.732 1.00 0.70 O ATOM 0 H TYR A 119 0.911 -7.315 -1.476 1.00 0.35 H new ATOM 0 HA TYR A 119 3.431 -8.373 -2.593 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.668 -9.519 -0.357 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.954 -7.791 -0.394 1.00 0.42 H new ATOM 0 HD1 TYR A 119 1.242 -10.269 0.381 1.00 1.18 H new ATOM 0 HD2 TYR A 119 2.890 -6.421 1.169 1.00 1.09 H new ATOM 0 HE1 TYR A 119 -0.365 -9.958 2.209 1.00 1.20 H new ATOM 0 HE2 TYR A 119 1.284 -6.108 2.999 1.00 1.15 H new ATOM 0 HH TYR A 119 -0.561 -8.642 4.292 1.00 0.70 H new ATOM 2018 N ALA A 120 2.574 -10.704 -2.820 1.00 0.57 N ATOM 2019 CA ALA A 120 2.004 -11.969 -3.229 1.00 0.71 C ATOM 2020 C ALA A 120 3.083 -13.034 -3.282 1.00 0.84 C ATOM 2021 O ALA A 120 4.270 -12.717 -3.407 1.00 0.86 O ATOM 2022 CB ALA A 120 1.324 -11.837 -4.584 1.00 0.79 C ATOM 0 H ALA A 120 3.568 -10.607 -3.027 1.00 0.57 H new ATOM 0 HA ALA A 120 1.253 -12.265 -2.496 1.00 0.71 H new ATOM 0 HB1 ALA A 120 0.902 -12.799 -4.874 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.528 -11.095 -4.521 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.055 -11.522 -5.329 1.00 0.79 H new ATOM 2028 N SER A 121 2.656 -14.284 -3.172 1.00 1.00 N ATOM 2029 CA SER A 121 3.539 -15.440 -3.237 1.00 1.16 C ATOM 2030 C SER A 121 4.421 -15.538 -2.000 1.00 0.69 C ATOM 2031 O SER A 121 4.934 -14.542 -1.486 1.00 1.07 O ATOM 2032 CB SER A 121 4.385 -15.417 -4.514 1.00 1.88 C ATOM 2033 OG SER A 121 3.560 -15.425 -5.669 1.00 2.69 O ATOM 0 H SER A 121 1.675 -14.527 -3.033 1.00 1.00 H new ATOM 0 HA SER A 121 2.911 -16.330 -3.265 1.00 1.16 H new ATOM 0 HB2 SER A 121 5.017 -14.529 -4.520 1.00 1.88 H new ATOM 0 HB3 SER A 121 5.049 -16.281 -4.531 1.00 1.88 H new ATOM 0 HG SER A 121 4.121 -15.408 -6.472 1.00 2.69 H new ATOM 2039 N GLN A 122 4.583 -16.754 -1.524 1.00 1.13 N ATOM 2040 CA GLN A 122 5.367 -17.012 -0.340 1.00 1.61 C ATOM 2041 C GLN A 122 6.453 -18.028 -0.646 1.00 2.23 C ATOM 2042 O GLN A 122 6.244 -18.962 -1.426 1.00 2.63 O ATOM 2043 CB GLN A 122 4.457 -17.488 0.794 1.00 2.34 C ATOM 2044 CG GLN A 122 3.428 -18.518 0.357 1.00 2.78 C ATOM 2045 CD GLN A 122 2.369 -18.756 1.412 1.00 3.64 C ATOM 2046 OE1 GLN A 122 2.519 -19.624 2.269 1.00 4.18 O ATOM 2047 NE2 GLN A 122 1.285 -17.999 1.345 1.00 4.22 N ATOM 0 H GLN A 122 4.175 -17.588 -1.947 1.00 1.13 H new ATOM 0 HA GLN A 122 5.853 -16.091 -0.018 1.00 1.61 H new ATOM 0 HB2 GLN A 122 5.071 -17.914 1.587 1.00 2.34 H new ATOM 0 HB3 GLN A 122 3.940 -16.628 1.219 1.00 2.34 H new ATOM 0 HG2 GLN A 122 2.951 -18.183 -0.564 1.00 2.78 H new ATOM 0 HG3 GLN A 122 3.931 -19.458 0.132 1.00 2.78 H new ATOM 0 HE21 GLN A 122 1.202 -17.290 0.616 1.00 4.22 H new ATOM 0 HE22 GLN A 122 0.532 -18.125 2.022 1.00 4.22 H new ATOM 2056 N GLU A 123 7.616 -17.831 -0.053 1.00 2.65 N ATOM 2057 CA GLU A 123 8.758 -18.687 -0.318 1.00 3.47 C ATOM 2058 C GLU A 123 8.696 -19.935 0.549 1.00 4.01 C ATOM 2059 O GLU A 123 9.407 -20.052 1.549 1.00 4.36 O ATOM 2060 CB GLU A 123 10.061 -17.923 -0.075 1.00 3.93 C ATOM 2061 CG GLU A 123 11.300 -18.658 -0.556 1.00 4.58 C ATOM 2062 CD GLU A 123 12.508 -17.752 -0.645 1.00 5.36 C ATOM 2063 OE1 GLU A 123 12.661 -17.066 -1.679 1.00 5.57 O ATOM 2064 OE2 GLU A 123 13.307 -17.715 0.316 1.00 6.07 O ATOM 0 H GLU A 123 7.795 -17.083 0.617 1.00 2.65 H new ATOM 0 HA GLU A 123 8.730 -18.995 -1.363 1.00 3.47 H new ATOM 0 HB2 GLU A 123 10.004 -16.957 -0.578 1.00 3.93 H new ATOM 0 HB3 GLU A 123 10.160 -17.722 0.992 1.00 3.93 H new ATOM 0 HG2 GLU A 123 11.517 -19.483 0.123 1.00 4.58 H new ATOM 0 HG3 GLU A 123 11.103 -19.094 -1.535 1.00 4.58 H new ATOM 2071 N THR A 124 7.830 -20.855 0.161 1.00 4.46 N ATOM 2072 CA THR A 124 7.680 -22.118 0.863 1.00 5.15 C ATOM 2073 C THR A 124 8.829 -23.065 0.522 1.00 5.52 C ATOM 2074 O THR A 124 8.637 -24.095 -0.124 1.00 6.17 O ATOM 2075 CB THR A 124 6.330 -22.772 0.513 1.00 5.88 C ATOM 2076 OG1 THR A 124 6.088 -22.667 -0.899 1.00 5.92 O ATOM 2077 CG2 THR A 124 5.195 -22.108 1.277 1.00 6.51 C ATOM 0 H THR A 124 7.214 -20.749 -0.645 1.00 4.46 H new ATOM 0 HA THR A 124 7.704 -21.917 1.934 1.00 5.15 H new ATOM 0 HB THR A 124 6.373 -23.823 0.798 1.00 5.88 H new ATOM 0 HG1 THR A 124 5.229 -23.086 -1.116 1.00 5.92 H new ATOM 0 HG21 THR A 124 4.251 -22.586 1.014 1.00 6.51 H new ATOM 0 HG22 THR A 124 5.368 -22.211 2.348 1.00 6.51 H new ATOM 0 HG23 THR A 124 5.151 -21.050 1.017 1.00 6.51 H new ATOM 2085 N PHE A 125 10.023 -22.691 0.946 1.00 5.46 N ATOM 2086 CA PHE A 125 11.216 -23.476 0.682 1.00 6.16 C ATOM 2087 C PHE A 125 11.992 -23.680 1.976 1.00 6.88 C ATOM 2088 O PHE A 125 12.253 -24.808 2.391 1.00 7.17 O ATOM 2089 CB PHE A 125 12.093 -22.765 -0.353 1.00 6.69 C ATOM 2090 CG PHE A 125 13.251 -23.589 -0.839 1.00 7.02 C ATOM 2091 CD1 PHE A 125 13.106 -24.425 -1.934 1.00 7.20 C ATOM 2092 CD2 PHE A 125 14.482 -23.529 -0.204 1.00 7.48 C ATOM 2093 CE1 PHE A 125 14.166 -25.185 -2.387 1.00 7.81 C ATOM 2094 CE2 PHE A 125 15.546 -24.287 -0.652 1.00 8.12 C ATOM 2095 CZ PHE A 125 15.387 -25.117 -1.746 1.00 8.27 C ATOM 0 H PHE A 125 10.193 -21.839 1.480 1.00 5.46 H new ATOM 0 HA PHE A 125 10.925 -24.448 0.285 1.00 6.16 H new ATOM 0 HB2 PHE A 125 11.476 -22.485 -1.207 1.00 6.69 H new ATOM 0 HB3 PHE A 125 12.474 -21.841 0.082 1.00 6.69 H new ATOM 0 HD1 PHE A 125 12.153 -24.483 -2.439 1.00 7.20 H new ATOM 0 HD2 PHE A 125 14.610 -22.882 0.651 1.00 7.48 H new ATOM 0 HE1 PHE A 125 14.040 -25.832 -3.242 1.00 7.81 H new ATOM 0 HE2 PHE A 125 16.500 -24.231 -0.149 1.00 8.12 H new ATOM 0 HZ PHE A 125 16.217 -25.711 -2.099 1.00 8.27 H new ATOM 2105 N GLY A 126 12.346 -22.574 2.610 1.00 7.47 N ATOM 2106 CA GLY A 126 13.070 -22.630 3.858 1.00 8.43 C ATOM 2107 C GLY A 126 13.959 -21.424 4.031 1.00 9.49 C ATOM 2108 O GLY A 126 13.628 -20.355 3.472 1.00 10.03 O ATOM 2109 OXT GLY A 126 14.997 -21.533 4.714 1.00 9.97 O ATOM 0 H GLY A 126 12.142 -21.631 2.278 1.00 7.47 H new ATOM 0 HA2 GLY A 126 12.365 -22.687 4.687 1.00 8.43 H new ATOM 0 HA3 GLY A 126 13.674 -23.537 3.890 1.00 8.43 H new TER 2113 GLY A 126