USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 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 110 GLN : amide:sc= -0.177 K(o=-0.13,f=-6) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.0492 K(o=-0.13,f=-6!) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.105 X(o=-0.9,f=-1.3) USER MOD Set 2.2: A 77 MET CE :methyl 180:sc= -0.793 (180deg=-0.793) USER MOD Set 3.1: A 51 GLN : amide:sc= -0.988 K(o=-1.8,f=-5.8!) USER MOD Set 3.2: A 68 MET CE :methyl 164:sc= -0.768 (180deg=-0.892) USER MOD Set 3.3: A 99 THR OG1 : rot -90:sc= -0.0333 USER MOD Set 4.1: A 33 THR OG1 : rot -77:sc= -0.0263 USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 40 SER OG : rot 146:sc= 0.474 USER MOD Set 5.2: A 45 SER OG : rot 156:sc= 0.633 USER MOD Set 5.3: A 47 HIS : +bothHN:sc= 0.125 K(o=1.2,f=-0.64) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0923 (180deg=-0.427) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0176 (180deg=-0.171) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.0085) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 8 HIS : no HD1:sc=-0.00138 X(o=-0.0014,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 23:sc= 0.059 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.239 F(o=-2.9!,f=-0.24) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.457 USER MOD Single : A 29 SER OG : rot -21:sc= 0.297 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 GLN : amide:sc= 0.444 K(o=0.44,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.476) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc=-0.00681 (180deg=-0.131) USER MOD Single : A 65 HIS : no HE2:sc= -0.149 X(o=-0.15,f=-0.41) USER MOD Single : A 66 ASN : amide:sc= -0.296 K(o=-0.3,f=-3.8!) USER MOD Single : A 67 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0624 F(o=-2,f=-0.062) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.12 USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000997) USER MOD Single : A 85 HIS : no HE2:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 88 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -126:sc= 0.688 (180deg=0) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.932 F(o=-2.1,f=-0.93) USER MOD Single : A 103 HIS : no HD1:sc= -3.4! K(o=-3.4!,f=-4.1) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.14) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 123 SER OG : rot 50:sc=0.000667 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.562 -39.556 -37.020 1.00 30.54 N ATOM 2 CA MET A 1 -2.578 -40.258 -37.889 1.00 42.35 C ATOM 3 C MET A 1 -1.222 -40.389 -37.164 1.00 22.53 C ATOM 4 O MET A 1 -0.475 -41.349 -37.388 1.00 34.34 O ATOM 5 CB MET A 1 -2.418 -39.501 -39.237 1.00 32.31 C ATOM 6 CG MET A 1 -1.511 -40.191 -40.274 1.00 12.10 C ATOM 7 SD MET A 1 -1.366 -39.257 -41.817 1.00 64.20 S ATOM 8 CE MET A 1 -3.064 -39.245 -42.408 1.00 22.15 C ATOM 0 H1 MET A 1 -4.514 -39.652 -37.427 1.00 30.54 H new ATOM 0 H2 MET A 1 -3.548 -39.977 -36.069 1.00 30.54 H new ATOM 0 H3 MET A 1 -3.312 -38.548 -36.956 1.00 30.54 H new ATOM 0 HA MET A 1 -2.946 -41.261 -38.103 1.00 42.35 H new ATOM 0 HB2 MET A 1 -3.406 -39.363 -39.677 1.00 32.31 H new ATOM 0 HB3 MET A 1 -2.018 -38.508 -39.032 1.00 32.31 H new ATOM 0 HG2 MET A 1 -0.519 -40.330 -39.845 1.00 12.10 H new ATOM 0 HG3 MET A 1 -1.906 -41.183 -40.492 1.00 12.10 H new ATOM 0 HE1 MET A 1 -3.081 -38.964 -43.461 1.00 22.15 H new ATOM 0 HE2 MET A 1 -3.497 -40.238 -42.291 1.00 22.15 H new ATOM 0 HE3 MET A 1 -3.645 -38.526 -41.831 1.00 22.15 H new ATOM 20 N GLY A 2 -0.910 -39.396 -36.306 1.00 22.12 N ATOM 21 CA GLY A 2 0.270 -39.431 -35.428 1.00 30.10 C ATOM 22 C GLY A 2 -0.111 -39.859 -34.016 1.00 33.03 C ATOM 23 O GLY A 2 -1.264 -39.661 -33.608 1.00 55.14 O ATOM 0 H GLY A 2 -1.470 -38.550 -36.205 1.00 22.12 H new ATOM 0 HA2 GLY A 2 1.009 -40.122 -35.834 1.00 30.10 H new ATOM 0 HA3 GLY A 2 0.736 -38.446 -35.400 1.00 30.10 H new ATOM 27 N HIS A 3 0.844 -40.455 -33.274 1.00 65.42 N ATOM 28 CA HIS A 3 0.633 -40.890 -31.877 1.00 5.11 C ATOM 29 C HIS A 3 0.521 -39.644 -30.971 1.00 44.12 C ATOM 30 O HIS A 3 1.522 -39.157 -30.435 1.00 32.21 O ATOM 31 CB HIS A 3 1.786 -41.831 -31.392 1.00 34.33 C ATOM 32 CG HIS A 3 1.997 -43.078 -32.219 1.00 13.23 C ATOM 33 ND1 HIS A 3 1.208 -44.206 -32.105 1.00 0.31 N ATOM 34 CD2 HIS A 3 2.923 -43.373 -33.169 1.00 1.50 C ATOM 35 CE1 HIS A 3 1.644 -45.135 -32.938 1.00 51.13 C ATOM 36 NE2 HIS A 3 2.681 -44.655 -33.592 1.00 1.01 N ATOM 0 H HIS A 3 1.782 -40.648 -33.625 1.00 65.42 H new ATOM 0 HA HIS A 3 -0.292 -41.463 -31.821 1.00 5.11 H new ATOM 0 HB2 HIS A 3 2.716 -41.262 -31.380 1.00 34.33 H new ATOM 0 HB3 HIS A 3 1.581 -42.128 -30.364 1.00 34.33 H new ATOM 0 HD2 HIS A 3 3.705 -42.719 -33.525 1.00 1.50 H new ATOM 0 HE1 HIS A 3 1.221 -46.121 -33.061 1.00 51.13 H new ATOM 0 HE2 HIS A 3 3.218 -45.156 -34.300 1.00 1.01 H new ATOM 45 N HIS A 4 -0.708 -39.100 -30.862 1.00 63.34 N ATOM 46 CA HIS A 4 -0.978 -37.857 -30.109 1.00 62.33 C ATOM 47 C HIS A 4 -0.932 -38.106 -28.581 1.00 5.15 C ATOM 48 O HIS A 4 -1.651 -38.970 -28.060 1.00 5.30 O ATOM 49 CB HIS A 4 -2.329 -37.205 -30.558 1.00 32.33 C ATOM 50 CG HIS A 4 -3.597 -38.017 -30.362 1.00 10.53 C ATOM 51 ND1 HIS A 4 -4.843 -37.434 -30.254 1.00 11.12 N ATOM 52 CD2 HIS A 4 -3.818 -39.354 -30.272 1.00 41.43 C ATOM 53 CE1 HIS A 4 -5.762 -38.369 -30.136 1.00 13.44 C ATOM 54 NE2 HIS A 4 -5.165 -39.538 -30.132 1.00 25.14 N ATOM 0 H HIS A 4 -1.539 -39.508 -31.291 1.00 63.34 H new ATOM 0 HA HIS A 4 -0.186 -37.145 -30.341 1.00 62.33 H new ATOM 0 HB2 HIS A 4 -2.445 -36.265 -30.019 1.00 32.33 H new ATOM 0 HB3 HIS A 4 -2.248 -36.958 -31.616 1.00 32.33 H new ATOM 0 HD2 HIS A 4 -3.067 -40.130 -30.305 1.00 41.43 H new ATOM 0 HE1 HIS A 4 -6.826 -38.203 -30.056 1.00 13.44 H new ATOM 0 HE2 HIS A 4 -5.632 -40.440 -30.039 1.00 25.14 H new ATOM 63 N HIS A 5 -0.038 -37.373 -27.882 1.00 23.24 N ATOM 64 CA HIS A 5 0.102 -37.445 -26.416 1.00 52.22 C ATOM 65 C HIS A 5 0.748 -36.146 -25.894 1.00 24.32 C ATOM 66 O HIS A 5 1.918 -35.871 -26.184 1.00 24.44 O ATOM 67 CB HIS A 5 0.929 -38.694 -25.989 1.00 14.21 C ATOM 68 CG HIS A 5 0.960 -38.945 -24.495 1.00 62.31 C ATOM 69 ND1 HIS A 5 -0.057 -39.590 -23.818 1.00 40.05 N ATOM 70 CD2 HIS A 5 1.889 -38.641 -23.554 1.00 41.22 C ATOM 71 CE1 HIS A 5 0.250 -39.671 -22.537 1.00 43.33 C ATOM 72 NE2 HIS A 5 1.423 -39.103 -22.350 1.00 13.13 N ATOM 0 H HIS A 5 0.606 -36.715 -28.321 1.00 23.24 H new ATOM 0 HA HIS A 5 -0.889 -37.549 -25.974 1.00 52.22 H new ATOM 0 HB2 HIS A 5 0.517 -39.573 -26.484 1.00 14.21 H new ATOM 0 HB3 HIS A 5 1.952 -38.577 -26.346 1.00 14.21 H new ATOM 0 HD2 HIS A 5 2.825 -38.129 -23.723 1.00 41.22 H new ATOM 0 HE1 HIS A 5 -0.359 -40.127 -21.770 1.00 43.33 H new ATOM 0 HE2 HIS A 5 1.906 -39.020 -21.456 1.00 13.13 H new ATOM 81 N HIS A 6 -0.034 -35.345 -25.150 1.00 50.33 N ATOM 82 CA HIS A 6 0.441 -34.097 -24.514 1.00 34.52 C ATOM 83 C HIS A 6 -0.286 -33.874 -23.179 1.00 14.22 C ATOM 84 O HIS A 6 -1.389 -34.392 -22.965 1.00 11.24 O ATOM 85 CB HIS A 6 0.235 -32.878 -25.458 1.00 54.34 C ATOM 86 CG HIS A 6 -1.203 -32.533 -25.768 1.00 3.51 C ATOM 87 ND1 HIS A 6 -1.997 -33.299 -26.586 1.00 35.51 N ATOM 88 CD2 HIS A 6 -1.987 -31.501 -25.355 1.00 73.32 C ATOM 89 CE1 HIS A 6 -3.197 -32.758 -26.666 1.00 14.30 C ATOM 90 NE2 HIS A 6 -3.217 -31.670 -25.927 1.00 71.01 N ATOM 0 H HIS A 6 -1.018 -35.543 -24.970 1.00 50.33 H new ATOM 0 HA HIS A 6 1.509 -34.195 -24.320 1.00 34.52 H new ATOM 0 HB2 HIS A 6 0.711 -32.007 -25.007 1.00 54.34 H new ATOM 0 HB3 HIS A 6 0.754 -33.075 -26.396 1.00 54.34 H new ATOM 0 HD2 HIS A 6 -1.692 -30.697 -24.697 1.00 73.32 H new ATOM 0 HE1 HIS A 6 -4.025 -33.144 -27.242 1.00 14.30 H new ATOM 0 HE2 HIS A 6 -4.019 -31.053 -25.801 1.00 71.01 H new ATOM 99 N HIS A 7 0.363 -33.120 -22.278 1.00 25.23 N ATOM 100 CA HIS A 7 -0.228 -32.657 -21.006 1.00 71.22 C ATOM 101 C HIS A 7 0.084 -31.165 -20.823 1.00 3.31 C ATOM 102 O HIS A 7 1.122 -30.686 -21.291 1.00 31.20 O ATOM 103 CB HIS A 7 0.323 -33.458 -19.789 1.00 60.31 C ATOM 104 CG HIS A 7 -0.136 -34.897 -19.700 1.00 30.41 C ATOM 105 ND1 HIS A 7 -1.114 -35.314 -18.825 1.00 12.02 N ATOM 106 CD2 HIS A 7 0.267 -36.013 -20.356 1.00 3.41 C ATOM 107 CE1 HIS A 7 -1.283 -36.611 -18.934 1.00 63.23 C ATOM 108 NE2 HIS A 7 -0.461 -37.064 -19.860 1.00 45.50 N ATOM 0 H HIS A 7 1.325 -32.809 -22.411 1.00 25.23 H new ATOM 0 HA HIS A 7 -1.305 -32.819 -21.050 1.00 71.22 H new ATOM 0 HB2 HIS A 7 1.412 -33.443 -19.829 1.00 60.31 H new ATOM 0 HB3 HIS A 7 0.030 -32.943 -18.874 1.00 60.31 H new ATOM 0 HD2 HIS A 7 1.022 -36.065 -21.127 1.00 3.41 H new ATOM 0 HE1 HIS A 7 -1.978 -37.207 -18.362 1.00 63.23 H new ATOM 0 HE2 HIS A 7 -0.380 -38.036 -20.158 1.00 45.50 H new ATOM 117 N HIS A 8 -0.826 -30.429 -20.163 1.00 0.21 N ATOM 118 CA HIS A 8 -0.592 -29.033 -19.746 1.00 73.54 C ATOM 119 C HIS A 8 -1.021 -28.890 -18.273 1.00 74.52 C ATOM 120 O HIS A 8 -2.191 -29.085 -17.934 1.00 41.11 O ATOM 121 CB HIS A 8 -1.313 -28.019 -20.689 1.00 13.12 C ATOM 122 CG HIS A 8 -2.802 -28.199 -20.832 1.00 13.24 C ATOM 123 ND1 HIS A 8 -3.719 -27.581 -20.012 1.00 2.12 N ATOM 124 CD2 HIS A 8 -3.524 -28.918 -21.718 1.00 63.41 C ATOM 125 CE1 HIS A 8 -4.935 -27.919 -20.384 1.00 54.41 C ATOM 126 NE2 HIS A 8 -4.844 -28.726 -21.420 1.00 14.42 N ATOM 0 H HIS A 8 -1.746 -30.784 -19.903 1.00 0.21 H new ATOM 0 HA HIS A 8 0.468 -28.793 -19.828 1.00 73.54 H new ATOM 0 HB2 HIS A 8 -1.122 -27.011 -20.321 1.00 13.12 H new ATOM 0 HB3 HIS A 8 -0.861 -28.088 -21.679 1.00 13.12 H new ATOM 0 HD2 HIS A 8 -3.131 -29.532 -22.515 1.00 63.41 H new ATOM 0 HE1 HIS A 8 -5.852 -27.590 -19.918 1.00 54.41 H new ATOM 0 HE2 HIS A 8 -5.631 -29.141 -21.919 1.00 14.42 H new ATOM 135 N SER A 9 -0.050 -28.575 -17.399 1.00 34.23 N ATOM 136 CA SER A 9 -0.217 -28.590 -15.940 1.00 63.10 C ATOM 137 C SER A 9 0.020 -27.187 -15.354 1.00 63.33 C ATOM 138 O SER A 9 1.071 -26.575 -15.603 1.00 2.03 O ATOM 139 CB SER A 9 0.782 -29.607 -15.333 1.00 3.42 C ATOM 140 OG SER A 9 0.674 -29.681 -13.921 1.00 61.41 O ATOM 0 H SER A 9 0.887 -28.299 -17.693 1.00 34.23 H new ATOM 0 HA SER A 9 -1.236 -28.887 -15.693 1.00 63.10 H new ATOM 0 HB2 SER A 9 0.602 -30.593 -15.762 1.00 3.42 H new ATOM 0 HB3 SER A 9 1.799 -29.322 -15.604 1.00 3.42 H new ATOM 0 HG SER A 9 1.319 -30.334 -13.577 1.00 61.41 H new ATOM 146 N HIS A 10 -0.971 -26.677 -14.594 1.00 15.14 N ATOM 147 CA HIS A 10 -0.816 -25.441 -13.799 1.00 55.03 C ATOM 148 C HIS A 10 -0.108 -25.777 -12.475 1.00 42.22 C ATOM 149 O HIS A 10 -0.757 -26.159 -11.495 1.00 53.11 O ATOM 150 CB HIS A 10 -2.185 -24.742 -13.516 1.00 34.23 C ATOM 151 CG HIS A 10 -2.792 -24.004 -14.682 1.00 64.04 C ATOM 152 ND1 HIS A 10 -3.285 -22.719 -14.587 1.00 55.02 N ATOM 153 CD2 HIS A 10 -2.998 -24.376 -15.961 1.00 1.15 C ATOM 154 CE1 HIS A 10 -3.772 -22.346 -15.753 1.00 42.30 C ATOM 155 NE2 HIS A 10 -3.606 -23.333 -16.607 1.00 44.12 N ATOM 0 H HIS A 10 -1.893 -27.106 -14.514 1.00 15.14 H new ATOM 0 HA HIS A 10 -0.216 -24.741 -14.380 1.00 55.03 H new ATOM 0 HB2 HIS A 10 -2.895 -25.497 -13.177 1.00 34.23 H new ATOM 0 HB3 HIS A 10 -2.051 -24.039 -12.694 1.00 34.23 H new ATOM 0 HD2 HIS A 10 -2.731 -25.327 -16.398 1.00 1.15 H new ATOM 0 HE1 HIS A 10 -4.230 -21.392 -15.971 1.00 42.30 H new ATOM 0 HE2 HIS A 10 -3.884 -23.323 -17.588 1.00 44.12 H new ATOM 164 N MET A 11 1.230 -25.706 -12.476 1.00 62.23 N ATOM 165 CA MET A 11 2.047 -25.856 -11.256 1.00 3.42 C ATOM 166 C MET A 11 2.452 -24.472 -10.739 1.00 50.41 C ATOM 167 O MET A 11 3.055 -23.675 -11.467 1.00 4.31 O ATOM 168 CB MET A 11 3.300 -26.746 -11.516 1.00 54.12 C ATOM 169 CG MET A 11 3.002 -28.250 -11.541 1.00 21.32 C ATOM 170 SD MET A 11 4.509 -29.237 -11.661 1.00 31.43 S ATOM 171 CE MET A 11 3.894 -30.866 -11.245 1.00 33.03 C ATOM 0 H MET A 11 1.780 -25.543 -13.320 1.00 62.23 H new ATOM 0 HA MET A 11 1.450 -26.359 -10.495 1.00 3.42 H new ATOM 0 HB2 MET A 11 3.746 -26.458 -12.468 1.00 54.12 H new ATOM 0 HB3 MET A 11 4.042 -26.546 -10.743 1.00 54.12 H new ATOM 0 HG2 MET A 11 2.458 -28.527 -10.638 1.00 21.32 H new ATOM 0 HG3 MET A 11 2.352 -28.477 -12.386 1.00 21.32 H new ATOM 0 HE1 MET A 11 4.714 -31.584 -11.278 1.00 33.03 H new ATOM 0 HE2 MET A 11 3.467 -30.849 -10.242 1.00 33.03 H new ATOM 0 HE3 MET A 11 3.127 -31.159 -11.961 1.00 33.03 H new ATOM 181 N ALA A 12 2.101 -24.195 -9.481 1.00 21.42 N ATOM 182 CA ALA A 12 2.409 -22.931 -8.801 1.00 4.53 C ATOM 183 C ALA A 12 3.485 -23.188 -7.738 1.00 12.45 C ATOM 184 O ALA A 12 3.247 -23.942 -6.784 1.00 14.42 O ATOM 185 CB ALA A 12 1.132 -22.331 -8.173 1.00 51.51 C ATOM 0 H ALA A 12 1.586 -24.852 -8.895 1.00 21.42 H new ATOM 0 HA ALA A 12 2.789 -22.206 -9.521 1.00 4.53 H new ATOM 0 HB1 ALA A 12 1.378 -21.394 -7.673 1.00 51.51 H new ATOM 0 HB2 ALA A 12 0.396 -22.143 -8.955 1.00 51.51 H new ATOM 0 HB3 ALA A 12 0.719 -23.032 -7.448 1.00 51.51 H new ATOM 191 N GLY A 13 4.684 -22.609 -7.946 1.00 31.20 N ATOM 192 CA GLY A 13 5.772 -22.681 -6.970 1.00 0.24 C ATOM 193 C GLY A 13 5.409 -21.960 -5.673 1.00 72.30 C ATOM 194 O GLY A 13 4.900 -20.837 -5.754 1.00 63.31 O ATOM 0 H GLY A 13 4.917 -22.085 -8.789 1.00 31.20 H new ATOM 0 HA2 GLY A 13 6.001 -23.725 -6.755 1.00 0.24 H new ATOM 0 HA3 GLY A 13 6.673 -22.238 -7.394 1.00 0.24 H new ATOM 198 N PRO A 14 5.633 -22.579 -4.459 1.00 43.13 N ATOM 199 CA PRO A 14 5.259 -21.973 -3.157 1.00 53.34 C ATOM 200 C PRO A 14 5.906 -20.589 -2.952 1.00 65.43 C ATOM 201 O PRO A 14 7.057 -20.487 -2.517 1.00 13.01 O ATOM 202 CB PRO A 14 5.755 -23.011 -2.107 1.00 24.33 C ATOM 203 CG PRO A 14 5.861 -24.303 -2.864 1.00 23.15 C ATOM 204 CD PRO A 14 6.272 -23.913 -4.269 1.00 50.41 C ATOM 0 HA PRO A 14 4.189 -21.782 -3.081 1.00 53.34 H new ATOM 0 HB2 PRO A 14 6.717 -22.719 -1.686 1.00 24.33 H new ATOM 0 HB3 PRO A 14 5.056 -23.096 -1.275 1.00 24.33 H new ATOM 0 HG2 PRO A 14 6.597 -24.966 -2.409 1.00 23.15 H new ATOM 0 HG3 PRO A 14 4.910 -24.836 -2.866 1.00 23.15 H new ATOM 0 HD2 PRO A 14 7.356 -23.857 -4.370 1.00 50.41 H new ATOM 0 HD3 PRO A 14 5.920 -24.635 -5.006 1.00 50.41 H new ATOM 212 N SER A 15 5.165 -19.539 -3.345 1.00 63.34 N ATOM 213 CA SER A 15 5.606 -18.148 -3.236 1.00 72.02 C ATOM 214 C SER A 15 5.594 -17.732 -1.756 1.00 11.41 C ATOM 215 O SER A 15 4.591 -17.921 -1.058 1.00 55.43 O ATOM 216 CB SER A 15 4.686 -17.240 -4.080 1.00 74.22 C ATOM 217 OG SER A 15 3.355 -17.364 -3.637 1.00 4.23 O ATOM 0 H SER A 15 4.234 -19.639 -3.751 1.00 63.34 H new ATOM 0 HA SER A 15 6.621 -18.045 -3.619 1.00 72.02 H new ATOM 0 HB2 SER A 15 5.010 -16.203 -3.999 1.00 74.22 H new ATOM 0 HB3 SER A 15 4.755 -17.515 -5.133 1.00 74.22 H new ATOM 0 HG SER A 15 3.347 -17.689 -2.713 1.00 4.23 H new ATOM 223 N ASN A 16 6.711 -17.185 -1.291 1.00 64.34 N ATOM 224 CA ASN A 16 6.939 -16.900 0.140 1.00 70.42 C ATOM 225 C ASN A 16 6.315 -15.559 0.551 1.00 21.22 C ATOM 226 O ASN A 16 6.302 -15.225 1.738 1.00 5.40 O ATOM 227 CB ASN A 16 8.461 -16.927 0.442 1.00 42.14 C ATOM 228 CG ASN A 16 9.125 -18.303 0.244 1.00 1.41 C ATOM 229 OD1 ASN A 16 8.619 -19.130 -0.675 1.00 72.21 O flip ATOM 230 ND2 ASN A 16 10.099 -18.630 0.925 1.00 13.35 N flip ATOM 0 H ASN A 16 7.494 -16.922 -1.890 1.00 64.34 H new ATOM 0 HA ASN A 16 6.449 -17.674 0.731 1.00 70.42 H new ATOM 0 HB2 ASN A 16 8.959 -16.201 -0.200 1.00 42.14 H new ATOM 0 HB3 ASN A 16 8.621 -16.605 1.471 1.00 42.14 H new ATOM 0 HD21 ASN A 16 10.473 -17.986 1.622 1.00 13.35 H new ATOM 0 HD22 ASN A 16 10.531 -19.544 0.791 1.00 13.35 H new ATOM 237 N VAL A 17 5.802 -14.809 -0.449 1.00 32.31 N ATOM 238 CA VAL A 17 5.092 -13.531 -0.251 1.00 1.05 C ATOM 239 C VAL A 17 3.976 -13.679 0.824 1.00 14.10 C ATOM 240 O VAL A 17 3.038 -14.455 0.611 1.00 63.41 O ATOM 241 CB VAL A 17 4.463 -13.022 -1.609 1.00 4.53 C ATOM 242 CG1 VAL A 17 3.672 -11.706 -1.418 1.00 4.40 C ATOM 243 CG2 VAL A 17 5.552 -12.853 -2.693 1.00 35.11 C ATOM 0 H VAL A 17 5.872 -15.080 -1.430 1.00 32.31 H new ATOM 0 HA VAL A 17 5.819 -12.797 0.096 1.00 1.05 H new ATOM 0 HB VAL A 17 3.758 -13.783 -1.944 1.00 4.53 H new ATOM 0 HG11 VAL A 17 3.256 -11.390 -2.374 1.00 4.40 H new ATOM 0 HG12 VAL A 17 2.863 -11.868 -0.706 1.00 4.40 H new ATOM 0 HG13 VAL A 17 4.339 -10.932 -1.039 1.00 4.40 H new ATOM 0 HG21 VAL A 17 5.094 -12.502 -3.618 1.00 35.11 H new ATOM 0 HG22 VAL A 17 6.291 -12.126 -2.356 1.00 35.11 H new ATOM 0 HG23 VAL A 17 6.040 -13.811 -2.871 1.00 35.11 H new ATOM 253 N PRO A 18 4.098 -12.974 2.006 1.00 74.45 N ATOM 254 CA PRO A 18 3.074 -13.006 3.084 1.00 14.30 C ATOM 255 C PRO A 18 1.681 -12.580 2.586 1.00 21.14 C ATOM 256 O PRO A 18 1.577 -11.849 1.586 1.00 31.02 O ATOM 257 CB PRO A 18 3.619 -12.005 4.144 1.00 73.11 C ATOM 258 CG PRO A 18 5.092 -11.959 3.886 1.00 14.31 C ATOM 259 CD PRO A 18 5.238 -12.100 2.386 1.00 51.55 C ATOM 0 HA PRO A 18 2.931 -14.013 3.477 1.00 14.30 H new ATOM 0 HB2 PRO A 18 3.165 -11.021 4.032 1.00 73.11 H new ATOM 0 HB3 PRO A 18 3.403 -12.342 5.158 1.00 73.11 H new ATOM 0 HG2 PRO A 18 5.524 -11.022 4.237 1.00 14.31 H new ATOM 0 HG3 PRO A 18 5.609 -12.764 4.409 1.00 14.31 H new ATOM 0 HD2 PRO A 18 5.187 -11.133 1.885 1.00 51.55 H new ATOM 0 HD3 PRO A 18 6.194 -12.548 2.116 1.00 51.55 H new ATOM 267 N ALA A 19 0.631 -13.037 3.296 1.00 64.21 N ATOM 268 CA ALA A 19 -0.772 -12.725 2.971 1.00 74.11 C ATOM 269 C ALA A 19 -0.991 -11.209 2.842 1.00 65.50 C ATOM 270 O ALA A 19 -1.631 -10.761 1.898 1.00 32.11 O ATOM 271 CB ALA A 19 -1.719 -13.326 4.022 1.00 42.13 C ATOM 0 H ALA A 19 0.734 -13.636 4.115 1.00 64.21 H new ATOM 0 HA ALA A 19 -1.000 -13.176 2.005 1.00 74.11 H new ATOM 0 HB1 ALA A 19 -2.750 -13.084 3.764 1.00 42.13 H new ATOM 0 HB2 ALA A 19 -1.595 -14.409 4.046 1.00 42.13 H new ATOM 0 HB3 ALA A 19 -1.484 -12.912 5.003 1.00 42.13 H new ATOM 277 N PHE A 20 -0.413 -10.438 3.783 1.00 12.31 N ATOM 278 CA PHE A 20 -0.439 -8.963 3.757 1.00 14.24 C ATOM 279 C PHE A 20 0.079 -8.393 2.412 1.00 5.01 C ATOM 280 O PHE A 20 -0.560 -7.521 1.821 1.00 73.52 O ATOM 281 CB PHE A 20 0.393 -8.391 4.943 1.00 61.41 C ATOM 282 CG PHE A 20 0.401 -6.860 5.027 1.00 62.21 C ATOM 283 CD1 PHE A 20 -0.660 -6.169 5.616 1.00 61.31 C ATOM 284 CD2 PHE A 20 1.450 -6.111 4.489 1.00 62.31 C ATOM 285 CE1 PHE A 20 -0.668 -4.787 5.666 1.00 1.20 C ATOM 286 CE2 PHE A 20 1.435 -4.733 4.535 1.00 71.23 C ATOM 287 CZ PHE A 20 0.379 -4.071 5.123 1.00 73.33 C ATOM 0 H PHE A 20 0.087 -10.822 4.585 1.00 12.31 H new ATOM 0 HA PHE A 20 -1.479 -8.652 3.861 1.00 14.24 H new ATOM 0 HB2 PHE A 20 -0.003 -8.792 5.876 1.00 61.41 H new ATOM 0 HB3 PHE A 20 1.420 -8.744 4.854 1.00 61.41 H new ATOM 0 HD1 PHE A 20 -1.486 -6.722 6.038 1.00 61.31 H new ATOM 0 HD2 PHE A 20 2.285 -6.619 4.030 1.00 62.31 H new ATOM 0 HE1 PHE A 20 -1.494 -4.268 6.130 1.00 1.20 H new ATOM 0 HE2 PHE A 20 2.253 -4.171 4.109 1.00 71.23 H new ATOM 0 HZ PHE A 20 0.371 -2.992 5.159 1.00 73.33 H new ATOM 297 N LEU A 21 1.229 -8.913 1.934 1.00 61.42 N ATOM 298 CA LEU A 21 1.931 -8.346 0.764 1.00 24.44 C ATOM 299 C LEU A 21 1.326 -8.826 -0.571 1.00 40.51 C ATOM 300 O LEU A 21 1.463 -8.130 -1.574 1.00 73.43 O ATOM 301 CB LEU A 21 3.458 -8.657 0.821 1.00 44.25 C ATOM 302 CG LEU A 21 4.274 -7.912 1.927 1.00 12.11 C ATOM 303 CD1 LEU A 21 5.759 -8.332 1.896 1.00 55.25 C ATOM 304 CD2 LEU A 21 4.132 -6.376 1.793 1.00 23.20 C ATOM 0 H LEU A 21 1.691 -9.726 2.341 1.00 61.42 H new ATOM 0 HA LEU A 21 1.796 -7.265 0.809 1.00 24.44 H new ATOM 0 HB2 LEU A 21 3.584 -9.730 0.967 1.00 44.25 H new ATOM 0 HB3 LEU A 21 3.893 -8.414 -0.148 1.00 44.25 H new ATOM 0 HG LEU A 21 3.860 -8.201 2.893 1.00 12.11 H new ATOM 0 HD11 LEU A 21 6.304 -7.799 2.675 1.00 55.25 H new ATOM 0 HD12 LEU A 21 5.837 -9.406 2.068 1.00 55.25 H new ATOM 0 HD13 LEU A 21 6.186 -8.088 0.923 1.00 55.25 H new ATOM 0 HD21 LEU A 21 4.711 -5.887 2.577 1.00 23.20 H new ATOM 0 HD22 LEU A 21 4.502 -6.060 0.818 1.00 23.20 H new ATOM 0 HD23 LEU A 21 3.083 -6.098 1.890 1.00 23.20 H new ATOM 316 N THR A 22 0.709 -10.028 -0.599 1.00 21.04 N ATOM 317 CA THR A 22 -0.003 -10.516 -1.805 1.00 11.45 C ATOM 318 C THR A 22 -1.366 -9.811 -1.967 1.00 31.11 C ATOM 319 O THR A 22 -1.837 -9.604 -3.096 1.00 71.13 O ATOM 320 CB THR A 22 -0.190 -12.073 -1.815 1.00 41.22 C ATOM 321 OG1 THR A 22 -0.709 -12.488 -3.087 1.00 34.35 O ATOM 322 CG2 THR A 22 -1.128 -12.581 -0.707 1.00 43.24 C ATOM 0 H THR A 22 0.688 -10.674 0.190 1.00 21.04 H new ATOM 0 HA THR A 22 0.630 -10.265 -2.656 1.00 11.45 H new ATOM 0 HB THR A 22 0.794 -12.504 -1.631 1.00 41.22 H new ATOM 0 HG1 THR A 22 -0.824 -13.461 -3.092 1.00 34.35 H new ATOM 0 HG21 THR A 22 -1.213 -13.666 -0.771 1.00 43.24 H new ATOM 0 HG22 THR A 22 -0.723 -12.306 0.267 1.00 43.24 H new ATOM 0 HG23 THR A 22 -2.113 -12.132 -0.830 1.00 43.24 H new ATOM 330 N LYS A 23 -2.003 -9.454 -0.829 1.00 35.35 N ATOM 331 CA LYS A 23 -3.241 -8.655 -0.831 1.00 22.24 C ATOM 332 C LYS A 23 -2.919 -7.214 -1.239 1.00 3.33 C ATOM 333 O LYS A 23 -3.687 -6.606 -1.968 1.00 42.45 O ATOM 334 CB LYS A 23 -3.947 -8.695 0.552 1.00 44.30 C ATOM 335 CG LYS A 23 -4.453 -10.093 1.011 1.00 24.13 C ATOM 336 CD LYS A 23 -5.795 -10.562 0.375 1.00 52.13 C ATOM 337 CE LYS A 23 -5.673 -11.095 -1.060 1.00 0.41 C ATOM 338 NZ LYS A 23 -6.980 -11.600 -1.565 1.00 40.34 N ATOM 0 H LYS A 23 -1.676 -9.709 0.103 1.00 35.35 H new ATOM 0 HA LYS A 23 -3.931 -9.087 -1.556 1.00 22.24 H new ATOM 0 HB2 LYS A 23 -3.255 -8.315 1.304 1.00 44.30 H new ATOM 0 HB3 LYS A 23 -4.796 -8.012 0.526 1.00 44.30 H new ATOM 0 HG2 LYS A 23 -3.685 -10.831 0.782 1.00 24.13 H new ATOM 0 HG3 LYS A 23 -4.570 -10.080 2.095 1.00 24.13 H new ATOM 0 HD2 LYS A 23 -6.226 -11.342 1.003 1.00 52.13 H new ATOM 0 HD3 LYS A 23 -6.495 -9.727 0.380 1.00 52.13 H new ATOM 0 HE2 LYS A 23 -5.310 -10.303 -1.714 1.00 0.41 H new ATOM 0 HE3 LYS A 23 -4.935 -11.897 -1.091 1.00 0.41 H new ATOM 0 HZ1 LYS A 23 -6.864 -11.953 -2.536 1.00 40.34 H new ATOM 0 HZ2 LYS A 23 -7.313 -12.372 -0.954 1.00 40.34 H new ATOM 0 HZ3 LYS A 23 -7.677 -10.828 -1.558 1.00 40.34 H new ATOM 352 N LEU A 24 -1.763 -6.694 -0.755 1.00 72.03 N ATOM 353 CA LEU A 24 -1.222 -5.381 -1.169 1.00 75.02 C ATOM 354 C LEU A 24 -0.915 -5.367 -2.682 1.00 63.20 C ATOM 355 O LEU A 24 -1.230 -4.393 -3.368 1.00 30.24 O ATOM 356 CB LEU A 24 0.069 -5.032 -0.370 1.00 21.34 C ATOM 357 CG LEU A 24 0.786 -3.692 -0.765 1.00 52.22 C ATOM 358 CD1 LEU A 24 -0.092 -2.460 -0.446 1.00 34.32 C ATOM 359 CD2 LEU A 24 2.181 -3.586 -0.116 1.00 33.33 C ATOM 0 H LEU A 24 -1.183 -7.175 -0.068 1.00 72.03 H new ATOM 0 HA LEU A 24 -1.982 -4.630 -0.954 1.00 75.02 H new ATOM 0 HB2 LEU A 24 -0.185 -4.986 0.689 1.00 21.34 H new ATOM 0 HB3 LEU A 24 0.779 -5.850 -0.492 1.00 21.34 H new ATOM 0 HG LEU A 24 0.933 -3.707 -1.845 1.00 52.22 H new ATOM 0 HD11 LEU A 24 0.438 -1.552 -0.733 1.00 34.32 H new ATOM 0 HD12 LEU A 24 -1.027 -2.526 -1.002 1.00 34.32 H new ATOM 0 HD13 LEU A 24 -0.306 -2.433 0.622 1.00 34.32 H new ATOM 0 HD21 LEU A 24 2.649 -2.647 -0.411 1.00 33.33 H new ATOM 0 HD22 LEU A 24 2.081 -3.617 0.969 1.00 33.33 H new ATOM 0 HD23 LEU A 24 2.801 -4.419 -0.447 1.00 33.33 H new ATOM 371 N TRP A 25 -0.282 -6.453 -3.173 1.00 42.40 N ATOM 372 CA TRP A 25 0.041 -6.647 -4.600 1.00 31.30 C ATOM 373 C TRP A 25 -1.210 -6.488 -5.481 1.00 14.43 C ATOM 374 O TRP A 25 -1.227 -5.660 -6.404 1.00 44.32 O ATOM 375 CB TRP A 25 0.673 -8.055 -4.786 1.00 72.14 C ATOM 376 CG TRP A 25 0.985 -8.416 -6.219 1.00 50.11 C ATOM 377 CD1 TRP A 25 0.302 -9.288 -7.024 1.00 31.21 C ATOM 378 CD2 TRP A 25 2.052 -7.885 -7.016 1.00 64.10 C ATOM 379 NE1 TRP A 25 0.885 -9.335 -8.262 1.00 13.13 N ATOM 380 CE2 TRP A 25 1.964 -8.489 -8.281 1.00 61.43 C ATOM 381 CE3 TRP A 25 3.080 -6.963 -6.773 1.00 1.54 C ATOM 382 CZ2 TRP A 25 2.855 -8.199 -9.303 1.00 51.12 C ATOM 383 CZ3 TRP A 25 3.965 -6.677 -7.788 1.00 15.21 C ATOM 384 CH2 TRP A 25 3.847 -7.297 -9.036 1.00 14.42 C ATOM 0 H TRP A 25 0.022 -7.227 -2.583 1.00 42.40 H new ATOM 0 HA TRP A 25 0.753 -5.883 -4.913 1.00 31.30 H new ATOM 0 HB2 TRP A 25 1.592 -8.107 -4.203 1.00 72.14 H new ATOM 0 HB3 TRP A 25 -0.007 -8.802 -4.376 1.00 72.14 H new ATOM 0 HD1 TRP A 25 -0.568 -9.855 -6.726 1.00 31.21 H new ATOM 0 HE1 TRP A 25 0.568 -9.907 -9.044 1.00 13.13 H new ATOM 0 HE3 TRP A 25 3.176 -6.487 -5.809 1.00 1.54 H new ATOM 0 HZ2 TRP A 25 2.769 -8.667 -10.272 1.00 51.12 H new ATOM 0 HZ3 TRP A 25 4.760 -5.966 -7.619 1.00 15.21 H new ATOM 0 HH2 TRP A 25 4.560 -7.056 -9.811 1.00 14.42 H new ATOM 395 N THR A 26 -2.243 -7.300 -5.159 1.00 21.11 N ATOM 396 CA THR A 26 -3.552 -7.254 -5.824 1.00 40.44 C ATOM 397 C THR A 26 -4.154 -5.840 -5.727 1.00 2.53 C ATOM 398 O THR A 26 -4.548 -5.279 -6.729 1.00 1.14 O ATOM 399 CB THR A 26 -4.548 -8.291 -5.203 1.00 2.42 C ATOM 400 OG1 THR A 26 -3.958 -9.601 -5.220 1.00 33.11 O ATOM 401 CG2 THR A 26 -5.893 -8.333 -5.962 1.00 3.41 C ATOM 0 H THR A 26 -2.185 -8.007 -4.426 1.00 21.11 H new ATOM 0 HA THR A 26 -3.396 -7.512 -6.871 1.00 40.44 H new ATOM 0 HB THR A 26 -4.748 -7.976 -4.179 1.00 2.42 H new ATOM 0 HG1 THR A 26 -3.287 -9.667 -4.509 1.00 33.11 H new ATOM 0 HG21 THR A 26 -6.551 -9.066 -5.496 1.00 3.41 H new ATOM 0 HG22 THR A 26 -6.362 -7.350 -5.926 1.00 3.41 H new ATOM 0 HG23 THR A 26 -5.716 -8.613 -7.000 1.00 3.41 H new ATOM 409 N LEU A 27 -4.118 -5.276 -4.509 1.00 31.34 N ATOM 410 CA LEU A 27 -4.724 -3.976 -4.143 1.00 43.35 C ATOM 411 C LEU A 27 -4.250 -2.810 -5.042 1.00 41.00 C ATOM 412 O LEU A 27 -5.073 -2.082 -5.616 1.00 52.32 O ATOM 413 CB LEU A 27 -4.381 -3.717 -2.644 1.00 62.14 C ATOM 414 CG LEU A 27 -4.891 -2.410 -1.999 1.00 21.13 C ATOM 415 CD1 LEU A 27 -6.396 -2.250 -2.224 1.00 55.52 C ATOM 416 CD2 LEU A 27 -4.537 -2.354 -0.492 1.00 73.34 C ATOM 0 H LEU A 27 -3.651 -5.725 -3.721 1.00 31.34 H new ATOM 0 HA LEU A 27 -5.802 -4.024 -4.296 1.00 43.35 H new ATOM 0 HB2 LEU A 27 -4.773 -4.551 -2.063 1.00 62.14 H new ATOM 0 HB3 LEU A 27 -3.296 -3.739 -2.541 1.00 62.14 H new ATOM 0 HG LEU A 27 -4.387 -1.573 -2.483 1.00 21.13 H new ATOM 0 HD11 LEU A 27 -6.736 -1.323 -1.762 1.00 55.52 H new ATOM 0 HD12 LEU A 27 -6.603 -2.220 -3.294 1.00 55.52 H new ATOM 0 HD13 LEU A 27 -6.922 -3.093 -1.777 1.00 55.52 H new ATOM 0 HD21 LEU A 27 -4.909 -1.422 -0.065 1.00 73.34 H new ATOM 0 HD22 LEU A 27 -4.998 -3.198 0.022 1.00 73.34 H new ATOM 0 HD23 LEU A 27 -3.455 -2.402 -0.370 1.00 73.34 H new ATOM 428 N VAL A 28 -2.924 -2.659 -5.149 1.00 24.44 N ATOM 429 CA VAL A 28 -2.278 -1.621 -5.982 1.00 50.55 C ATOM 430 C VAL A 28 -2.536 -1.877 -7.498 1.00 71.00 C ATOM 431 O VAL A 28 -2.594 -0.936 -8.306 1.00 62.21 O ATOM 432 CB VAL A 28 -0.728 -1.584 -5.667 1.00 25.13 C ATOM 433 CG1 VAL A 28 0.018 -0.529 -6.503 1.00 74.44 C ATOM 434 CG2 VAL A 28 -0.476 -1.350 -4.155 1.00 33.33 C ATOM 0 H VAL A 28 -2.258 -3.256 -4.658 1.00 24.44 H new ATOM 0 HA VAL A 28 -2.713 -0.651 -5.740 1.00 50.55 H new ATOM 0 HB VAL A 28 -0.329 -2.559 -5.946 1.00 25.13 H new ATOM 0 HG11 VAL A 28 1.078 -0.545 -6.248 1.00 74.44 H new ATOM 0 HG12 VAL A 28 -0.104 -0.752 -7.563 1.00 74.44 H new ATOM 0 HG13 VAL A 28 -0.391 0.459 -6.291 1.00 74.44 H new ATOM 0 HG21 VAL A 28 0.597 -1.329 -3.964 1.00 33.33 H new ATOM 0 HG22 VAL A 28 -0.917 -0.399 -3.856 1.00 33.33 H new ATOM 0 HG23 VAL A 28 -0.931 -2.157 -3.581 1.00 33.33 H new ATOM 444 N SER A 29 -2.727 -3.162 -7.852 1.00 61.31 N ATOM 445 CA SER A 29 -2.927 -3.623 -9.244 1.00 34.52 C ATOM 446 C SER A 29 -4.429 -3.732 -9.617 1.00 24.30 C ATOM 447 O SER A 29 -4.761 -3.975 -10.783 1.00 63.22 O ATOM 448 CB SER A 29 -2.226 -5.000 -9.416 1.00 5.43 C ATOM 449 OG SER A 29 -2.306 -5.488 -10.751 1.00 71.24 O ATOM 0 H SER A 29 -2.747 -3.922 -7.172 1.00 61.31 H new ATOM 0 HA SER A 29 -2.490 -2.886 -9.918 1.00 34.52 H new ATOM 0 HB2 SER A 29 -1.179 -4.910 -9.127 1.00 5.43 H new ATOM 0 HB3 SER A 29 -2.682 -5.723 -8.740 1.00 5.43 H new ATOM 0 HG SER A 29 -3.052 -5.053 -11.214 1.00 71.24 H new ATOM 455 N ASP A 30 -5.323 -3.553 -8.631 1.00 42.10 N ATOM 456 CA ASP A 30 -6.776 -3.810 -8.786 1.00 21.34 C ATOM 457 C ASP A 30 -7.528 -2.551 -9.277 1.00 74.15 C ATOM 458 O ASP A 30 -7.377 -1.486 -8.678 1.00 64.32 O ATOM 459 CB ASP A 30 -7.361 -4.299 -7.433 1.00 50.34 C ATOM 460 CG ASP A 30 -8.867 -4.583 -7.475 1.00 12.32 C ATOM 461 OD1 ASP A 30 -9.274 -5.600 -8.090 1.00 50.31 O ATOM 462 OD2 ASP A 30 -9.641 -3.811 -6.881 1.00 31.32 O ATOM 0 H ASP A 30 -5.065 -3.226 -7.700 1.00 42.10 H new ATOM 0 HA ASP A 30 -6.910 -4.583 -9.543 1.00 21.34 H new ATOM 0 HB2 ASP A 30 -6.838 -5.206 -7.129 1.00 50.34 H new ATOM 0 HB3 ASP A 30 -7.164 -3.546 -6.670 1.00 50.34 H new ATOM 467 N PRO A 31 -8.361 -2.661 -10.374 1.00 51.35 N ATOM 468 CA PRO A 31 -9.108 -1.507 -10.938 1.00 64.31 C ATOM 469 C PRO A 31 -10.374 -1.109 -10.128 1.00 31.23 C ATOM 470 O PRO A 31 -10.980 -0.076 -10.417 1.00 2.55 O ATOM 471 CB PRO A 31 -9.483 -2.004 -12.355 1.00 75.44 C ATOM 472 CG PRO A 31 -9.663 -3.482 -12.190 1.00 41.30 C ATOM 473 CD PRO A 31 -8.627 -3.909 -11.160 1.00 1.20 C ATOM 0 HA PRO A 31 -8.509 -0.597 -10.922 1.00 64.31 H new ATOM 0 HB2 PRO A 31 -10.396 -1.529 -12.715 1.00 75.44 H new ATOM 0 HB3 PRO A 31 -8.699 -1.776 -13.077 1.00 75.44 H new ATOM 0 HG2 PRO A 31 -10.672 -3.719 -11.852 1.00 41.30 H new ATOM 0 HG3 PRO A 31 -9.513 -4.003 -13.136 1.00 41.30 H new ATOM 0 HD2 PRO A 31 -9.004 -4.709 -10.523 1.00 1.20 H new ATOM 0 HD3 PRO A 31 -7.720 -4.281 -11.637 1.00 1.20 H new ATOM 481 N ASP A 32 -10.807 -1.945 -9.161 1.00 22.50 N ATOM 482 CA ASP A 32 -11.950 -1.614 -8.263 1.00 54.41 C ATOM 483 C ASP A 32 -11.494 -0.697 -7.108 1.00 73.21 C ATOM 484 O ASP A 32 -12.273 0.123 -6.605 1.00 35.31 O ATOM 485 CB ASP A 32 -12.614 -2.926 -7.733 1.00 10.34 C ATOM 486 CG ASP A 32 -13.678 -2.713 -6.636 1.00 1.40 C ATOM 487 OD1 ASP A 32 -14.836 -2.370 -6.971 1.00 72.33 O ATOM 488 OD2 ASP A 32 -13.378 -2.912 -5.442 1.00 60.33 O ATOM 0 H ASP A 32 -10.387 -2.856 -8.977 1.00 22.50 H new ATOM 0 HA ASP A 32 -12.699 -1.065 -8.833 1.00 54.41 H new ATOM 0 HB2 ASP A 32 -13.076 -3.448 -8.571 1.00 10.34 H new ATOM 0 HB3 ASP A 32 -11.834 -3.579 -7.342 1.00 10.34 H new ATOM 493 N THR A 33 -10.215 -0.815 -6.713 1.00 50.31 N ATOM 494 CA THR A 33 -9.648 -0.048 -5.582 1.00 32.33 C ATOM 495 C THR A 33 -8.556 0.950 -6.034 1.00 40.34 C ATOM 496 O THR A 33 -7.972 1.645 -5.186 1.00 13.00 O ATOM 497 CB THR A 33 -9.081 -1.026 -4.494 1.00 20.51 C ATOM 498 OG1 THR A 33 -8.154 -1.953 -5.086 1.00 71.04 O ATOM 499 CG2 THR A 33 -10.197 -1.820 -3.793 1.00 12.54 C ATOM 0 H THR A 33 -9.546 -1.440 -7.163 1.00 50.31 H new ATOM 0 HA THR A 33 -10.458 0.540 -5.152 1.00 32.33 H new ATOM 0 HB THR A 33 -8.574 -0.411 -3.750 1.00 20.51 H new ATOM 0 HG1 THR A 33 -8.649 -2.644 -5.573 1.00 71.04 H new ATOM 0 HG21 THR A 33 -9.758 -2.484 -3.048 1.00 12.54 H new ATOM 0 HG22 THR A 33 -10.883 -1.129 -3.304 1.00 12.54 H new ATOM 0 HG23 THR A 33 -10.741 -2.411 -4.530 1.00 12.54 H new ATOM 507 N ASP A 34 -8.317 1.063 -7.363 1.00 31.31 N ATOM 508 CA ASP A 34 -7.212 1.894 -7.904 1.00 61.44 C ATOM 509 C ASP A 34 -7.418 3.401 -7.621 1.00 31.45 C ATOM 510 O ASP A 34 -6.448 4.164 -7.570 1.00 53.54 O ATOM 511 CB ASP A 34 -6.984 1.649 -9.428 1.00 14.52 C ATOM 512 CG ASP A 34 -7.945 2.420 -10.350 1.00 25.52 C ATOM 513 OD1 ASP A 34 -9.124 2.052 -10.438 1.00 65.31 O ATOM 514 OD2 ASP A 34 -7.525 3.407 -10.985 1.00 32.44 O ATOM 0 H ASP A 34 -8.871 0.592 -8.078 1.00 31.31 H new ATOM 0 HA ASP A 34 -6.313 1.578 -7.376 1.00 61.44 H new ATOM 0 HB2 ASP A 34 -5.960 1.926 -9.678 1.00 14.52 H new ATOM 0 HB3 ASP A 34 -7.084 0.583 -9.630 1.00 14.52 H new ATOM 519 N ALA A 35 -8.689 3.811 -7.435 1.00 51.33 N ATOM 520 CA ALA A 35 -9.054 5.213 -7.143 1.00 61.44 C ATOM 521 C ALA A 35 -8.572 5.670 -5.747 1.00 3.33 C ATOM 522 O ALA A 35 -8.346 6.866 -5.527 1.00 60.21 O ATOM 523 CB ALA A 35 -10.575 5.402 -7.279 1.00 31.44 C ATOM 0 H ALA A 35 -9.490 3.181 -7.483 1.00 51.33 H new ATOM 0 HA ALA A 35 -8.545 5.841 -7.874 1.00 61.44 H new ATOM 0 HB1 ALA A 35 -10.834 6.438 -7.062 1.00 31.44 H new ATOM 0 HB2 ALA A 35 -10.883 5.157 -8.295 1.00 31.44 H new ATOM 0 HB3 ALA A 35 -11.088 4.745 -6.576 1.00 31.44 H new ATOM 529 N LEU A 36 -8.421 4.710 -4.811 1.00 24.13 N ATOM 530 CA LEU A 36 -7.941 4.990 -3.437 1.00 35.21 C ATOM 531 C LEU A 36 -6.498 4.503 -3.234 1.00 64.24 C ATOM 532 O LEU A 36 -5.878 4.843 -2.225 1.00 31.12 O ATOM 533 CB LEU A 36 -8.887 4.358 -2.370 1.00 32.22 C ATOM 534 CG LEU A 36 -10.338 4.940 -2.301 1.00 2.34 C ATOM 535 CD1 LEU A 36 -11.150 4.299 -1.155 1.00 70.13 C ATOM 536 CD2 LEU A 36 -10.320 6.478 -2.172 1.00 73.13 C ATOM 0 H LEU A 36 -8.626 3.726 -4.982 1.00 24.13 H new ATOM 0 HA LEU A 36 -7.951 6.072 -3.305 1.00 35.21 H new ATOM 0 HB2 LEU A 36 -8.956 3.288 -2.565 1.00 32.22 H new ATOM 0 HB3 LEU A 36 -8.424 4.475 -1.390 1.00 32.22 H new ATOM 0 HG LEU A 36 -10.833 4.689 -3.239 1.00 2.34 H new ATOM 0 HD11 LEU A 36 -12.153 4.726 -1.136 1.00 70.13 H new ATOM 0 HD12 LEU A 36 -11.217 3.223 -1.314 1.00 70.13 H new ATOM 0 HD13 LEU A 36 -10.654 4.495 -0.204 1.00 70.13 H new ATOM 0 HD21 LEU A 36 -11.343 6.851 -2.126 1.00 73.13 H new ATOM 0 HD22 LEU A 36 -9.790 6.761 -1.263 1.00 73.13 H new ATOM 0 HD23 LEU A 36 -9.814 6.910 -3.036 1.00 73.13 H new ATOM 548 N ILE A 37 -5.985 3.666 -4.166 1.00 41.30 N ATOM 549 CA ILE A 37 -4.571 3.230 -4.150 1.00 45.01 C ATOM 550 C ILE A 37 -4.137 2.684 -5.530 1.00 42.43 C ATOM 551 O ILE A 37 -4.743 1.754 -6.059 1.00 43.05 O ATOM 552 CB ILE A 37 -4.322 2.160 -3.023 1.00 41.13 C ATOM 553 CG1 ILE A 37 -2.817 1.734 -2.936 1.00 13.31 C ATOM 554 CG2 ILE A 37 -5.254 0.941 -3.203 1.00 62.22 C ATOM 555 CD1 ILE A 37 -2.489 0.806 -1.768 1.00 64.14 C ATOM 0 H ILE A 37 -6.530 3.280 -4.937 1.00 41.30 H new ATOM 0 HA ILE A 37 -3.959 4.104 -3.928 1.00 45.01 H new ATOM 0 HB ILE A 37 -4.567 2.628 -2.069 1.00 41.13 H new ATOM 0 HG12 ILE A 37 -2.538 1.239 -3.866 1.00 13.31 H new ATOM 0 HG13 ILE A 37 -2.203 2.631 -2.855 1.00 13.31 H new ATOM 0 HG21 ILE A 37 -5.062 0.216 -2.412 1.00 62.22 H new ATOM 0 HG22 ILE A 37 -6.293 1.267 -3.153 1.00 62.22 H new ATOM 0 HG23 ILE A 37 -5.065 0.479 -4.172 1.00 62.22 H new ATOM 0 HD11 ILE A 37 -1.427 0.562 -1.784 1.00 64.14 H new ATOM 0 HD12 ILE A 37 -2.733 1.303 -0.829 1.00 64.14 H new ATOM 0 HD13 ILE A 37 -3.073 -0.110 -1.856 1.00 64.14 H new ATOM 567 N CYS A 38 -3.071 3.249 -6.088 1.00 62.02 N ATOM 568 CA CYS A 38 -2.524 2.831 -7.389 1.00 33.22 C ATOM 569 C CYS A 38 -1.017 3.056 -7.387 1.00 61.32 C ATOM 570 O CYS A 38 -0.507 3.830 -6.567 1.00 10.44 O ATOM 571 CB CYS A 38 -3.187 3.625 -8.541 1.00 33.22 C ATOM 572 SG CYS A 38 -2.934 5.413 -8.449 1.00 62.54 S ATOM 0 H CYS A 38 -2.555 4.014 -5.654 1.00 62.02 H new ATOM 0 HA CYS A 38 -2.736 1.774 -7.547 1.00 33.22 H new ATOM 0 HB2 CYS A 38 -2.794 3.262 -9.491 1.00 33.22 H new ATOM 0 HB3 CYS A 38 -4.258 3.420 -8.540 1.00 33.22 H new ATOM 0 HG CYS A 38 -3.523 5.987 -9.456 1.00 62.54 H new ATOM 578 N TRP A 39 -0.310 2.386 -8.311 1.00 34.13 N ATOM 579 CA TRP A 39 1.144 2.556 -8.483 1.00 30.13 C ATOM 580 C TRP A 39 1.402 3.797 -9.346 1.00 54.43 C ATOM 581 O TRP A 39 0.583 4.150 -10.213 1.00 43.02 O ATOM 582 CB TRP A 39 1.826 1.280 -9.081 1.00 60.13 C ATOM 583 CG TRP A 39 1.172 0.720 -10.328 1.00 51.22 C ATOM 584 CD1 TRP A 39 0.080 -0.101 -10.387 1.00 14.05 C ATOM 585 CD2 TRP A 39 1.593 0.913 -11.687 1.00 12.43 C ATOM 586 NE1 TRP A 39 -0.212 -0.405 -11.692 1.00 44.23 N ATOM 587 CE2 TRP A 39 0.703 0.201 -12.506 1.00 40.41 C ATOM 588 CE3 TRP A 39 2.631 1.626 -12.282 1.00 51.31 C ATOM 589 CZ2 TRP A 39 0.820 0.179 -13.891 1.00 40.02 C ATOM 590 CZ3 TRP A 39 2.751 1.609 -13.655 1.00 22.13 C ATOM 591 CH2 TRP A 39 1.849 0.889 -14.450 1.00 4.15 C ATOM 0 H TRP A 39 -0.726 1.715 -8.957 1.00 34.13 H new ATOM 0 HA TRP A 39 1.597 2.699 -7.502 1.00 30.13 H new ATOM 0 HB2 TRP A 39 2.865 1.517 -9.311 1.00 60.13 H new ATOM 0 HB3 TRP A 39 1.838 0.503 -8.317 1.00 60.13 H new ATOM 0 HD1 TRP A 39 -0.472 -0.458 -9.530 1.00 14.05 H new ATOM 0 HE1 TRP A 39 -0.987 -0.989 -12.005 1.00 44.23 H new ATOM 0 HE3 TRP A 39 3.331 2.183 -11.677 1.00 51.31 H new ATOM 0 HZ2 TRP A 39 0.125 -0.377 -14.503 1.00 40.02 H new ATOM 0 HZ3 TRP A 39 3.553 2.159 -14.125 1.00 22.13 H new ATOM 0 HH2 TRP A 39 1.968 0.894 -15.523 1.00 4.15 H new ATOM 602 N SER A 40 2.533 4.453 -9.074 1.00 43.30 N ATOM 603 CA SER A 40 2.933 5.705 -9.731 1.00 32.40 C ATOM 604 C SER A 40 3.440 5.415 -11.162 1.00 25.34 C ATOM 605 O SER A 40 3.921 4.315 -11.398 1.00 15.04 O ATOM 606 CB SER A 40 4.022 6.383 -8.871 1.00 52.24 C ATOM 607 OG SER A 40 3.557 6.598 -7.551 1.00 13.24 O ATOM 0 H SER A 40 3.208 4.127 -8.382 1.00 43.30 H new ATOM 0 HA SER A 40 2.080 6.378 -9.819 1.00 32.40 H new ATOM 0 HB2 SER A 40 4.916 5.760 -8.850 1.00 52.24 H new ATOM 0 HB3 SER A 40 4.307 7.334 -9.321 1.00 52.24 H new ATOM 0 HG SER A 40 4.302 6.499 -6.922 1.00 13.24 H new ATOM 613 N PRO A 41 3.307 6.377 -12.137 1.00 61.53 N ATOM 614 CA PRO A 41 3.756 6.186 -13.551 1.00 23.30 C ATOM 615 C PRO A 41 5.182 5.583 -13.725 1.00 52.23 C ATOM 616 O PRO A 41 5.390 4.739 -14.600 1.00 60.33 O ATOM 617 CB PRO A 41 3.663 7.613 -14.133 1.00 2.32 C ATOM 618 CG PRO A 41 2.522 8.233 -13.381 1.00 14.41 C ATOM 619 CD PRO A 41 2.651 7.711 -11.965 1.00 72.33 C ATOM 0 HA PRO A 41 3.138 5.446 -14.059 1.00 23.30 H new ATOM 0 HB2 PRO A 41 4.589 8.167 -13.983 1.00 2.32 H new ATOM 0 HB3 PRO A 41 3.472 7.596 -15.206 1.00 2.32 H new ATOM 0 HG2 PRO A 41 2.578 9.321 -13.406 1.00 14.41 H new ATOM 0 HG3 PRO A 41 1.564 7.953 -13.818 1.00 14.41 H new ATOM 0 HD2 PRO A 41 3.253 8.376 -11.346 1.00 72.33 H new ATOM 0 HD3 PRO A 41 1.678 7.620 -11.482 1.00 72.33 H new ATOM 627 N SER A 42 6.152 6.002 -12.881 1.00 15.44 N ATOM 628 CA SER A 42 7.545 5.475 -12.944 1.00 31.15 C ATOM 629 C SER A 42 7.683 4.102 -12.230 1.00 41.32 C ATOM 630 O SER A 42 8.728 3.446 -12.324 1.00 54.25 O ATOM 631 CB SER A 42 8.545 6.521 -12.400 1.00 61.35 C ATOM 632 OG SER A 42 8.167 7.003 -11.126 1.00 51.22 O ATOM 0 H SER A 42 6.003 6.699 -12.151 1.00 15.44 H new ATOM 0 HA SER A 42 7.789 5.295 -13.991 1.00 31.15 H new ATOM 0 HB2 SER A 42 9.538 6.076 -12.339 1.00 61.35 H new ATOM 0 HB3 SER A 42 8.612 7.356 -13.098 1.00 61.35 H new ATOM 0 HG SER A 42 8.825 7.660 -10.816 1.00 51.22 H new ATOM 638 N GLY A 43 6.622 3.693 -11.500 1.00 62.45 N ATOM 639 CA GLY A 43 6.430 2.303 -11.049 1.00 3.15 C ATOM 640 C GLY A 43 7.227 1.884 -9.811 1.00 64.41 C ATOM 641 O GLY A 43 7.119 0.735 -9.366 1.00 31.45 O ATOM 0 H GLY A 43 5.874 4.322 -11.208 1.00 62.45 H new ATOM 0 HA2 GLY A 43 5.370 2.152 -10.843 1.00 3.15 H new ATOM 0 HA3 GLY A 43 6.694 1.636 -11.870 1.00 3.15 H new ATOM 645 N ASN A 44 8.018 2.805 -9.257 1.00 42.42 N ATOM 646 CA ASN A 44 8.931 2.537 -8.122 1.00 60.11 C ATOM 647 C ASN A 44 8.272 2.883 -6.762 1.00 30.20 C ATOM 648 O ASN A 44 8.877 2.673 -5.695 1.00 5.13 O ATOM 649 CB ASN A 44 10.237 3.355 -8.339 1.00 41.14 C ATOM 650 CG ASN A 44 10.952 2.986 -9.650 1.00 71.21 C ATOM 651 OD1 ASN A 44 10.937 1.830 -10.082 1.00 32.24 O ATOM 652 ND2 ASN A 44 11.561 3.961 -10.314 1.00 3.01 N ATOM 0 H ASN A 44 8.050 3.772 -9.581 1.00 42.42 H new ATOM 0 HA ASN A 44 9.163 1.472 -8.089 1.00 60.11 H new ATOM 0 HB2 ASN A 44 9.999 4.419 -8.346 1.00 41.14 H new ATOM 0 HB3 ASN A 44 10.912 3.185 -7.500 1.00 41.14 H new ATOM 0 HD21 ASN A 44 12.028 3.761 -11.199 1.00 3.01 H new ATOM 0 HD22 ASN A 44 11.562 4.910 -9.940 1.00 3.01 H new ATOM 659 N SER A 45 7.029 3.401 -6.814 1.00 13.31 N ATOM 660 CA SER A 45 6.256 3.806 -5.625 1.00 43.03 C ATOM 661 C SER A 45 4.750 3.602 -5.876 1.00 14.45 C ATOM 662 O SER A 45 4.342 3.233 -6.987 1.00 11.12 O ATOM 663 CB SER A 45 6.549 5.292 -5.278 1.00 43.14 C ATOM 664 OG SER A 45 6.193 6.162 -6.336 1.00 12.42 O ATOM 0 H SER A 45 6.530 3.551 -7.691 1.00 13.31 H new ATOM 0 HA SER A 45 6.556 3.185 -4.781 1.00 43.03 H new ATOM 0 HB2 SER A 45 5.999 5.570 -4.379 1.00 43.14 H new ATOM 0 HB3 SER A 45 7.609 5.410 -5.052 1.00 43.14 H new ATOM 0 HG SER A 45 6.019 7.058 -5.979 1.00 12.42 H new ATOM 670 N PHE A 46 3.937 3.831 -4.831 1.00 45.52 N ATOM 671 CA PHE A 46 2.469 3.881 -4.946 1.00 54.23 C ATOM 672 C PHE A 46 1.899 4.913 -3.966 1.00 72.42 C ATOM 673 O PHE A 46 2.507 5.194 -2.930 1.00 61.11 O ATOM 674 CB PHE A 46 1.818 2.481 -4.730 1.00 41.35 C ATOM 675 CG PHE A 46 2.005 1.845 -3.348 1.00 32.25 C ATOM 676 CD1 PHE A 46 3.156 1.121 -3.049 1.00 12.31 C ATOM 677 CD2 PHE A 46 1.018 1.942 -2.360 1.00 63.12 C ATOM 678 CE1 PHE A 46 3.319 0.520 -1.818 1.00 1.44 C ATOM 679 CE2 PHE A 46 1.183 1.334 -1.128 1.00 61.31 C ATOM 680 CZ PHE A 46 2.333 0.623 -0.859 1.00 72.24 C ATOM 0 H PHE A 46 4.279 3.987 -3.883 1.00 45.52 H new ATOM 0 HA PHE A 46 2.223 4.188 -5.962 1.00 54.23 H new ATOM 0 HB2 PHE A 46 0.749 2.569 -4.923 1.00 41.35 H new ATOM 0 HB3 PHE A 46 2.222 1.798 -5.477 1.00 41.35 H new ATOM 0 HD1 PHE A 46 3.934 1.028 -3.793 1.00 12.31 H new ATOM 0 HD2 PHE A 46 0.115 2.499 -2.562 1.00 63.12 H new ATOM 0 HE1 PHE A 46 4.222 -0.033 -1.604 1.00 1.44 H new ATOM 0 HE2 PHE A 46 0.411 1.416 -0.377 1.00 61.31 H new ATOM 0 HZ PHE A 46 2.462 0.147 0.102 1.00 72.24 H new ATOM 690 N HIS A 47 0.721 5.458 -4.301 1.00 44.44 N ATOM 691 CA HIS A 47 0.029 6.486 -3.503 1.00 62.43 C ATOM 692 C HIS A 47 -1.267 5.913 -2.917 1.00 2.32 C ATOM 693 O HIS A 47 -1.900 5.047 -3.528 1.00 12.14 O ATOM 694 CB HIS A 47 -0.284 7.736 -4.369 1.00 55.35 C ATOM 695 CG HIS A 47 0.905 8.604 -4.697 1.00 11.00 C ATOM 696 ND1 HIS A 47 0.947 9.950 -4.412 1.00 63.35 N ATOM 697 CD2 HIS A 47 2.079 8.322 -5.309 1.00 14.01 C ATOM 698 CE1 HIS A 47 2.085 10.457 -4.837 1.00 2.22 C ATOM 699 NE2 HIS A 47 2.789 9.489 -5.386 1.00 5.42 N ATOM 0 H HIS A 47 0.213 5.195 -5.145 1.00 44.44 H new ATOM 0 HA HIS A 47 0.686 6.789 -2.687 1.00 62.43 H new ATOM 0 HB2 HIS A 47 -0.742 7.407 -5.302 1.00 55.35 H new ATOM 0 HB3 HIS A 47 -1.024 8.343 -3.848 1.00 55.35 H new ATOM 0 HD1 HIS A 47 0.209 10.475 -3.943 1.00 63.35 H new ATOM 0 HD2 HIS A 47 2.396 7.355 -5.670 1.00 14.01 H new ATOM 0 HE1 HIS A 47 2.389 11.490 -4.750 1.00 2.22 H new ATOM 0 HE2 HIS A 47 3.715 9.593 -5.802 1.00 5.42 H new ATOM 708 N VAL A 48 -1.647 6.429 -1.738 1.00 44.01 N ATOM 709 CA VAL A 48 -2.845 6.026 -0.996 1.00 1.24 C ATOM 710 C VAL A 48 -3.701 7.278 -0.762 1.00 41.54 C ATOM 711 O VAL A 48 -3.358 8.133 0.065 1.00 30.23 O ATOM 712 CB VAL A 48 -2.498 5.344 0.384 1.00 55.54 C ATOM 713 CG1 VAL A 48 -3.788 4.952 1.142 1.00 62.15 C ATOM 714 CG2 VAL A 48 -1.567 4.119 0.194 1.00 4.34 C ATOM 0 H VAL A 48 -1.113 7.158 -1.264 1.00 44.01 H new ATOM 0 HA VAL A 48 -3.386 5.284 -1.583 1.00 1.24 H new ATOM 0 HB VAL A 48 -1.958 6.073 0.988 1.00 55.54 H new ATOM 0 HG11 VAL A 48 -3.525 4.484 2.090 1.00 62.15 H new ATOM 0 HG12 VAL A 48 -4.384 5.845 1.331 1.00 62.15 H new ATOM 0 HG13 VAL A 48 -4.365 4.251 0.539 1.00 62.15 H new ATOM 0 HG21 VAL A 48 -1.349 3.674 1.165 1.00 4.34 H new ATOM 0 HG22 VAL A 48 -2.060 3.382 -0.440 1.00 4.34 H new ATOM 0 HG23 VAL A 48 -0.637 4.438 -0.276 1.00 4.34 H new ATOM 724 N PHE A 49 -4.794 7.370 -1.513 1.00 12.20 N ATOM 725 CA PHE A 49 -5.720 8.508 -1.480 1.00 2.44 C ATOM 726 C PHE A 49 -6.842 8.265 -0.458 1.00 11.11 C ATOM 727 O PHE A 49 -7.297 7.122 -0.298 1.00 13.04 O ATOM 728 CB PHE A 49 -6.322 8.705 -2.894 1.00 52.12 C ATOM 729 CG PHE A 49 -5.285 9.122 -3.936 1.00 5.04 C ATOM 730 CD1 PHE A 49 -4.930 10.459 -4.074 1.00 34.23 C ATOM 731 CD2 PHE A 49 -4.650 8.183 -4.757 1.00 54.31 C ATOM 732 CE1 PHE A 49 -3.984 10.856 -4.992 1.00 55.14 C ATOM 733 CE2 PHE A 49 -3.694 8.581 -5.677 1.00 45.23 C ATOM 734 CZ PHE A 49 -3.364 9.920 -5.794 1.00 45.02 C ATOM 0 H PHE A 49 -5.070 6.645 -2.175 1.00 12.20 H new ATOM 0 HA PHE A 49 -5.178 9.405 -1.180 1.00 2.44 H new ATOM 0 HB2 PHE A 49 -6.795 7.776 -3.213 1.00 52.12 H new ATOM 0 HB3 PHE A 49 -7.105 9.462 -2.847 1.00 52.12 H new ATOM 0 HD1 PHE A 49 -5.405 11.200 -3.449 1.00 34.23 H new ATOM 0 HD2 PHE A 49 -4.908 7.138 -4.672 1.00 54.31 H new ATOM 0 HE1 PHE A 49 -3.727 11.901 -5.084 1.00 55.14 H new ATOM 0 HE2 PHE A 49 -3.207 7.847 -6.302 1.00 45.23 H new ATOM 0 HZ PHE A 49 -2.621 10.232 -6.513 1.00 45.02 H new ATOM 744 N ASP A 50 -7.280 9.365 0.198 1.00 13.15 N ATOM 745 CA ASP A 50 -8.441 9.388 1.121 1.00 64.40 C ATOM 746 C ASP A 50 -8.319 8.306 2.215 1.00 52.42 C ATOM 747 O ASP A 50 -9.193 7.457 2.357 1.00 35.14 O ATOM 748 CB ASP A 50 -9.770 9.260 0.320 1.00 20.31 C ATOM 749 CG ASP A 50 -10.030 10.476 -0.589 1.00 71.34 C ATOM 750 OD1 ASP A 50 -9.348 10.614 -1.631 1.00 10.32 O ATOM 751 OD2 ASP A 50 -10.929 11.289 -0.277 1.00 21.21 O ATOM 0 H ASP A 50 -6.831 10.275 0.100 1.00 13.15 H new ATOM 0 HA ASP A 50 -8.451 10.349 1.636 1.00 64.40 H new ATOM 0 HB2 ASP A 50 -9.738 8.356 -0.288 1.00 20.31 H new ATOM 0 HB3 ASP A 50 -10.601 9.147 1.016 1.00 20.31 H new ATOM 756 N GLN A 51 -7.212 8.371 2.975 1.00 0.04 N ATOM 757 CA GLN A 51 -6.780 7.306 3.920 1.00 22.40 C ATOM 758 C GLN A 51 -7.849 6.914 4.973 1.00 72.15 C ATOM 759 O GLN A 51 -7.822 5.793 5.482 1.00 32.44 O ATOM 760 CB GLN A 51 -5.456 7.723 4.611 1.00 42.32 C ATOM 761 CG GLN A 51 -4.285 7.949 3.633 1.00 33.04 C ATOM 762 CD GLN A 51 -2.984 8.305 4.338 1.00 10.21 C ATOM 763 OE1 GLN A 51 -2.691 9.477 4.584 1.00 50.21 O ATOM 764 NE2 GLN A 51 -2.187 7.299 4.666 1.00 15.13 N ATOM 0 H GLN A 51 -6.579 9.171 2.956 1.00 0.04 H new ATOM 0 HA GLN A 51 -6.626 6.409 3.320 1.00 22.40 H new ATOM 0 HB2 GLN A 51 -5.626 8.639 5.177 1.00 42.32 H new ATOM 0 HB3 GLN A 51 -5.174 6.953 5.329 1.00 42.32 H new ATOM 0 HG2 GLN A 51 -4.135 7.047 3.039 1.00 33.04 H new ATOM 0 HG3 GLN A 51 -4.547 8.748 2.939 1.00 33.04 H new ATOM 0 HE21 GLN A 51 -2.459 6.341 4.448 1.00 15.13 H new ATOM 0 HE22 GLN A 51 -1.301 7.483 5.137 1.00 15.13 H new ATOM 773 N GLY A 52 -8.759 7.845 5.303 1.00 60.31 N ATOM 774 CA GLY A 52 -9.879 7.556 6.200 1.00 23.33 C ATOM 775 C GLY A 52 -10.911 6.634 5.544 1.00 1.41 C ATOM 776 O GLY A 52 -11.324 5.637 6.147 1.00 13.21 O ATOM 0 H GLY A 52 -8.737 8.805 4.959 1.00 60.31 H new ATOM 0 HA2 GLY A 52 -9.504 7.091 7.112 1.00 23.33 H new ATOM 0 HA3 GLY A 52 -10.360 8.489 6.493 1.00 23.33 H new ATOM 780 N GLN A 53 -11.312 6.958 4.291 1.00 4.42 N ATOM 781 CA GLN A 53 -12.311 6.171 3.523 1.00 11.55 C ATOM 782 C GLN A 53 -11.706 4.811 3.138 1.00 13.44 C ATOM 783 O GLN A 53 -12.352 3.775 3.271 1.00 52.51 O ATOM 784 CB GLN A 53 -12.743 6.945 2.243 1.00 11.23 C ATOM 785 CG GLN A 53 -13.885 6.287 1.418 1.00 71.31 C ATOM 786 CD GLN A 53 -15.212 6.150 2.184 1.00 12.41 C ATOM 787 OE1 GLN A 53 -15.536 6.955 3.062 1.00 11.30 O ATOM 788 NE2 GLN A 53 -16.008 5.146 1.842 1.00 31.22 N ATOM 0 H GLN A 53 -10.955 7.768 3.785 1.00 4.42 H new ATOM 0 HA GLN A 53 -13.192 6.012 4.144 1.00 11.55 H new ATOM 0 HB2 GLN A 53 -13.059 7.947 2.534 1.00 11.23 H new ATOM 0 HB3 GLN A 53 -11.872 7.061 1.598 1.00 11.23 H new ATOM 0 HG2 GLN A 53 -14.056 6.878 0.518 1.00 71.31 H new ATOM 0 HG3 GLN A 53 -13.561 5.298 1.093 1.00 71.31 H new ATOM 0 HE21 GLN A 53 -15.720 4.492 1.114 1.00 31.22 H new ATOM 0 HE22 GLN A 53 -16.908 5.027 2.307 1.00 31.22 H new ATOM 797 N PHE A 54 -10.448 4.867 2.673 1.00 50.10 N ATOM 798 CA PHE A 54 -9.613 3.701 2.331 1.00 1.10 C ATOM 799 C PHE A 54 -9.548 2.700 3.494 1.00 20.31 C ATOM 800 O PHE A 54 -9.796 1.510 3.310 1.00 44.01 O ATOM 801 CB PHE A 54 -8.185 4.211 1.947 1.00 14.55 C ATOM 802 CG PHE A 54 -7.130 3.127 1.692 1.00 51.14 C ATOM 803 CD1 PHE A 54 -6.986 2.546 0.435 1.00 32.42 C ATOM 804 CD2 PHE A 54 -6.277 2.693 2.714 1.00 51.23 C ATOM 805 CE1 PHE A 54 -6.032 1.571 0.213 1.00 52.44 C ATOM 806 CE2 PHE A 54 -5.325 1.717 2.482 1.00 52.02 C ATOM 807 CZ PHE A 54 -5.203 1.156 1.232 1.00 74.45 C ATOM 0 H PHE A 54 -9.967 5.753 2.519 1.00 50.10 H new ATOM 0 HA PHE A 54 -10.055 3.173 1.486 1.00 1.10 H new ATOM 0 HB2 PHE A 54 -8.269 4.826 1.051 1.00 14.55 H new ATOM 0 HB3 PHE A 54 -7.825 4.859 2.746 1.00 14.55 H new ATOM 0 HD1 PHE A 54 -7.627 2.861 -0.375 1.00 32.42 H new ATOM 0 HD2 PHE A 54 -6.364 3.127 3.699 1.00 51.23 H new ATOM 0 HE1 PHE A 54 -5.936 1.130 -0.768 1.00 52.44 H new ATOM 0 HE2 PHE A 54 -4.677 1.395 3.283 1.00 52.02 H new ATOM 0 HZ PHE A 54 -4.460 0.393 1.050 1.00 74.45 H new ATOM 817 N ALA A 55 -9.212 3.195 4.689 1.00 55.52 N ATOM 818 CA ALA A 55 -9.110 2.343 5.880 1.00 43.03 C ATOM 819 C ALA A 55 -10.469 1.739 6.267 1.00 24.01 C ATOM 820 O ALA A 55 -10.544 0.594 6.705 1.00 61.43 O ATOM 821 CB ALA A 55 -8.510 3.130 7.040 1.00 61.40 C ATOM 0 H ALA A 55 -9.006 4.180 4.858 1.00 55.52 H new ATOM 0 HA ALA A 55 -8.447 1.511 5.642 1.00 43.03 H new ATOM 0 HB1 ALA A 55 -8.439 2.487 7.918 1.00 61.40 H new ATOM 0 HB2 ALA A 55 -7.515 3.480 6.766 1.00 61.40 H new ATOM 0 HB3 ALA A 55 -9.146 3.986 7.267 1.00 61.40 H new ATOM 827 N LYS A 56 -11.530 2.523 6.048 1.00 21.45 N ATOM 828 CA LYS A 56 -12.913 2.170 6.403 1.00 74.03 C ATOM 829 C LYS A 56 -13.447 0.969 5.577 1.00 22.21 C ATOM 830 O LYS A 56 -14.072 0.063 6.141 1.00 12.40 O ATOM 831 CB LYS A 56 -13.806 3.451 6.248 1.00 51.31 C ATOM 832 CG LYS A 56 -15.344 3.238 6.273 1.00 2.31 C ATOM 833 CD LYS A 56 -15.963 3.058 4.858 1.00 61.43 C ATOM 834 CE LYS A 56 -17.400 2.516 4.904 1.00 42.33 C ATOM 835 NZ LYS A 56 -17.934 2.218 3.551 1.00 43.11 N ATOM 0 H LYS A 56 -11.452 3.441 5.610 1.00 21.45 H new ATOM 0 HA LYS A 56 -12.945 1.834 7.439 1.00 74.03 H new ATOM 0 HB2 LYS A 56 -13.546 4.145 7.047 1.00 51.31 H new ATOM 0 HB3 LYS A 56 -13.545 3.935 5.307 1.00 51.31 H new ATOM 0 HG2 LYS A 56 -15.572 2.359 6.876 1.00 2.31 H new ATOM 0 HG3 LYS A 56 -15.814 4.091 6.762 1.00 2.31 H new ATOM 0 HD2 LYS A 56 -15.957 4.016 4.339 1.00 61.43 H new ATOM 0 HD3 LYS A 56 -15.341 2.377 4.278 1.00 61.43 H new ATOM 0 HE2 LYS A 56 -17.425 1.610 5.510 1.00 42.33 H new ATOM 0 HE3 LYS A 56 -18.045 3.245 5.394 1.00 42.33 H new ATOM 0 HZ1 LYS A 56 -18.973 2.203 3.584 1.00 43.11 H new ATOM 0 HZ2 LYS A 56 -17.619 2.952 2.884 1.00 43.11 H new ATOM 0 HZ3 LYS A 56 -17.584 1.291 3.236 1.00 43.11 H new ATOM 849 N GLU A 57 -13.241 0.988 4.246 1.00 23.10 N ATOM 850 CA GLU A 57 -13.831 -0.032 3.328 1.00 12.11 C ATOM 851 C GLU A 57 -12.791 -1.006 2.728 1.00 34.11 C ATOM 852 O GLU A 57 -13.064 -2.205 2.616 1.00 52.34 O ATOM 853 CB GLU A 57 -14.622 0.667 2.186 1.00 24.14 C ATOM 854 CG GLU A 57 -13.841 1.750 1.418 1.00 12.11 C ATOM 855 CD GLU A 57 -14.515 2.190 0.112 1.00 44.11 C ATOM 856 OE1 GLU A 57 -15.653 2.700 0.170 1.00 55.32 O ATOM 857 OE2 GLU A 57 -13.914 2.031 -0.973 1.00 54.05 O ATOM 0 H GLU A 57 -12.674 1.692 3.774 1.00 23.10 H new ATOM 0 HA GLU A 57 -14.503 -0.636 3.938 1.00 12.11 H new ATOM 0 HB2 GLU A 57 -14.953 -0.092 1.477 1.00 24.14 H new ATOM 0 HB3 GLU A 57 -15.518 1.119 2.610 1.00 24.14 H new ATOM 0 HG2 GLU A 57 -13.716 2.620 2.062 1.00 12.11 H new ATOM 0 HG3 GLU A 57 -12.843 1.374 1.192 1.00 12.11 H new ATOM 864 N VAL A 58 -11.609 -0.495 2.369 1.00 33.24 N ATOM 865 CA VAL A 58 -10.617 -1.236 1.557 1.00 62.14 C ATOM 866 C VAL A 58 -9.766 -2.187 2.427 1.00 10.53 C ATOM 867 O VAL A 58 -9.432 -3.303 1.999 1.00 21.12 O ATOM 868 CB VAL A 58 -9.687 -0.235 0.776 1.00 61.50 C ATOM 869 CG1 VAL A 58 -8.611 -0.974 -0.027 1.00 32.32 C ATOM 870 CG2 VAL A 58 -10.518 0.697 -0.139 1.00 12.11 C ATOM 0 H VAL A 58 -11.305 0.443 2.629 1.00 33.24 H new ATOM 0 HA VAL A 58 -11.168 -1.844 0.839 1.00 62.14 H new ATOM 0 HB VAL A 58 -9.178 0.382 1.516 1.00 61.50 H new ATOM 0 HG11 VAL A 58 -7.988 -0.250 -0.553 1.00 32.32 H new ATOM 0 HG12 VAL A 58 -7.991 -1.562 0.650 1.00 32.32 H new ATOM 0 HG13 VAL A 58 -9.087 -1.636 -0.750 1.00 32.32 H new ATOM 0 HG21 VAL A 58 -9.851 1.378 -0.667 1.00 12.11 H new ATOM 0 HG22 VAL A 58 -11.071 0.098 -0.862 1.00 12.11 H new ATOM 0 HG23 VAL A 58 -11.218 1.272 0.467 1.00 12.11 H new ATOM 880 N LEU A 59 -9.412 -1.741 3.640 1.00 61.02 N ATOM 881 CA LEU A 59 -8.605 -2.553 4.567 1.00 15.24 C ATOM 882 C LEU A 59 -9.387 -3.780 5.142 1.00 73.55 C ATOM 883 O LEU A 59 -8.804 -4.846 5.219 1.00 21.53 O ATOM 884 CB LEU A 59 -7.974 -1.682 5.691 1.00 71.11 C ATOM 885 CG LEU A 59 -6.873 -0.668 5.245 1.00 33.40 C ATOM 886 CD1 LEU A 59 -6.254 0.040 6.464 1.00 21.04 C ATOM 887 CD2 LEU A 59 -5.788 -1.349 4.379 1.00 41.31 C ATOM 0 H LEU A 59 -9.670 -0.824 4.004 1.00 61.02 H new ATOM 0 HA LEU A 59 -7.787 -2.970 3.980 1.00 15.24 H new ATOM 0 HB2 LEU A 59 -8.773 -1.126 6.182 1.00 71.11 H new ATOM 0 HB3 LEU A 59 -7.543 -2.348 6.439 1.00 71.11 H new ATOM 0 HG LEU A 59 -7.352 0.089 4.624 1.00 33.40 H new ATOM 0 HD11 LEU A 59 -5.490 0.741 6.128 1.00 21.04 H new ATOM 0 HD12 LEU A 59 -7.031 0.581 7.004 1.00 21.04 H new ATOM 0 HD13 LEU A 59 -5.802 -0.700 7.124 1.00 21.04 H new ATOM 0 HD21 LEU A 59 -5.039 -0.612 4.088 1.00 41.31 H new ATOM 0 HD22 LEU A 59 -5.311 -2.144 4.952 1.00 41.31 H new ATOM 0 HD23 LEU A 59 -6.248 -1.772 3.486 1.00 41.31 H new ATOM 899 N PRO A 60 -10.697 -3.677 5.581 1.00 14.23 N ATOM 900 CA PRO A 60 -11.501 -4.887 5.954 1.00 42.32 C ATOM 901 C PRO A 60 -11.903 -5.757 4.727 1.00 15.35 C ATOM 902 O PRO A 60 -12.430 -6.860 4.891 1.00 21.13 O ATOM 903 CB PRO A 60 -12.747 -4.295 6.668 1.00 13.53 C ATOM 904 CG PRO A 60 -12.885 -2.907 6.115 1.00 22.22 C ATOM 905 CD PRO A 60 -11.474 -2.425 5.839 1.00 11.54 C ATOM 0 HA PRO A 60 -10.931 -5.571 6.582 1.00 42.32 H new ATOM 0 HB2 PRO A 60 -13.638 -4.891 6.467 1.00 13.53 H new ATOM 0 HB3 PRO A 60 -12.612 -4.278 7.749 1.00 13.53 H new ATOM 0 HG2 PRO A 60 -13.482 -2.908 5.203 1.00 22.22 H new ATOM 0 HG3 PRO A 60 -13.389 -2.252 6.826 1.00 22.22 H new ATOM 0 HD2 PRO A 60 -11.444 -1.755 4.980 1.00 11.54 H new ATOM 0 HD3 PRO A 60 -11.069 -1.874 6.688 1.00 11.54 H new ATOM 913 N LYS A 61 -11.687 -5.225 3.508 1.00 74.33 N ATOM 914 CA LYS A 61 -11.941 -5.935 2.235 1.00 43.00 C ATOM 915 C LYS A 61 -10.793 -6.929 1.915 1.00 25.14 C ATOM 916 O LYS A 61 -11.040 -8.111 1.649 1.00 20.20 O ATOM 917 CB LYS A 61 -12.098 -4.873 1.117 1.00 51.02 C ATOM 918 CG LYS A 61 -12.319 -5.393 -0.318 1.00 53.52 C ATOM 919 CD LYS A 61 -12.471 -4.221 -1.322 1.00 35.44 C ATOM 920 CE LYS A 61 -12.563 -4.678 -2.781 1.00 61.15 C ATOM 921 NZ LYS A 61 -13.738 -5.548 -3.033 1.00 40.22 N ATOM 0 H LYS A 61 -11.327 -4.280 3.376 1.00 74.33 H new ATOM 0 HA LYS A 61 -12.854 -6.526 2.311 1.00 43.00 H new ATOM 0 HB2 LYS A 61 -12.938 -4.229 1.377 1.00 51.02 H new ATOM 0 HB3 LYS A 61 -11.205 -4.247 1.117 1.00 51.02 H new ATOM 0 HG2 LYS A 61 -11.479 -6.022 -0.613 1.00 53.52 H new ATOM 0 HG3 LYS A 61 -13.211 -6.019 -0.348 1.00 53.52 H new ATOM 0 HD2 LYS A 61 -13.365 -3.651 -1.071 1.00 35.44 H new ATOM 0 HD3 LYS A 61 -11.622 -3.547 -1.213 1.00 35.44 H new ATOM 0 HE2 LYS A 61 -12.617 -3.803 -3.429 1.00 61.15 H new ATOM 0 HE3 LYS A 61 -11.653 -5.216 -3.047 1.00 61.15 H new ATOM 0 HZ1 LYS A 61 -13.753 -5.829 -4.034 1.00 40.22 H new ATOM 0 HZ2 LYS A 61 -13.676 -6.397 -2.436 1.00 40.22 H new ATOM 0 HZ3 LYS A 61 -14.610 -5.028 -2.806 1.00 40.22 H new ATOM 935 N TYR A 62 -9.544 -6.430 1.929 1.00 53.23 N ATOM 936 CA TYR A 62 -8.339 -7.259 1.651 1.00 34.42 C ATOM 937 C TYR A 62 -7.801 -7.939 2.915 1.00 3.25 C ATOM 938 O TYR A 62 -7.124 -8.968 2.836 1.00 45.44 O ATOM 939 CB TYR A 62 -7.235 -6.410 0.970 1.00 61.20 C ATOM 940 CG TYR A 62 -7.552 -6.096 -0.499 1.00 21.44 C ATOM 941 CD1 TYR A 62 -8.481 -5.113 -0.839 1.00 44.13 C ATOM 942 CD2 TYR A 62 -6.955 -6.814 -1.539 1.00 52.31 C ATOM 943 CE1 TYR A 62 -8.796 -4.854 -2.155 1.00 61.34 C ATOM 944 CE2 TYR A 62 -7.272 -6.559 -2.855 1.00 3.12 C ATOM 945 CZ TYR A 62 -8.191 -5.576 -3.160 1.00 24.00 C ATOM 946 OH TYR A 62 -8.512 -5.325 -4.471 1.00 63.44 O ATOM 0 H TYR A 62 -9.334 -5.452 2.130 1.00 53.23 H new ATOM 0 HA TYR A 62 -8.643 -8.050 0.966 1.00 34.42 H new ATOM 0 HB2 TYR A 62 -7.110 -5.476 1.518 1.00 61.20 H new ATOM 0 HB3 TYR A 62 -6.286 -6.942 1.027 1.00 61.20 H new ATOM 0 HD1 TYR A 62 -8.962 -4.545 -0.057 1.00 44.13 H new ATOM 0 HD2 TYR A 62 -6.232 -7.582 -1.307 1.00 52.31 H new ATOM 0 HE1 TYR A 62 -9.516 -4.086 -2.398 1.00 61.34 H new ATOM 0 HE2 TYR A 62 -6.803 -7.126 -3.645 1.00 3.12 H new ATOM 0 HH TYR A 62 -7.996 -5.920 -5.054 1.00 63.44 H new ATOM 956 N PHE A 63 -8.098 -7.354 4.075 1.00 74.24 N ATOM 957 CA PHE A 63 -7.668 -7.869 5.391 1.00 74.12 C ATOM 958 C PHE A 63 -8.936 -8.011 6.268 1.00 55.12 C ATOM 959 O PHE A 63 -10.017 -8.287 5.732 1.00 65.51 O ATOM 960 CB PHE A 63 -6.604 -6.898 6.013 1.00 34.15 C ATOM 961 CG PHE A 63 -5.506 -6.442 5.041 1.00 63.03 C ATOM 962 CD1 PHE A 63 -4.528 -7.330 4.596 1.00 1.01 C ATOM 963 CD2 PHE A 63 -5.476 -5.134 4.546 1.00 62.34 C ATOM 964 CE1 PHE A 63 -3.562 -6.925 3.691 1.00 14.43 C ATOM 965 CE2 PHE A 63 -4.511 -4.735 3.638 1.00 44.44 C ATOM 966 CZ PHE A 63 -3.551 -5.629 3.213 1.00 21.33 C ATOM 0 H PHE A 63 -8.650 -6.499 4.137 1.00 74.24 H new ATOM 0 HA PHE A 63 -7.187 -8.844 5.311 1.00 74.12 H new ATOM 0 HB2 PHE A 63 -7.117 -6.017 6.399 1.00 34.15 H new ATOM 0 HB3 PHE A 63 -6.135 -7.392 6.864 1.00 34.15 H new ATOM 0 HD1 PHE A 63 -4.524 -8.346 4.962 1.00 1.01 H new ATOM 0 HD2 PHE A 63 -6.219 -4.424 4.878 1.00 62.34 H new ATOM 0 HE1 PHE A 63 -2.812 -7.627 3.357 1.00 14.43 H new ATOM 0 HE2 PHE A 63 -4.510 -3.723 3.262 1.00 44.44 H new ATOM 0 HZ PHE A 63 -2.793 -5.317 2.509 1.00 21.33 H new ATOM 976 N LYS A 64 -8.810 -7.861 7.604 1.00 5.51 N ATOM 977 CA LYS A 64 -9.968 -7.813 8.525 1.00 72.12 C ATOM 978 C LYS A 64 -9.691 -6.793 9.655 1.00 73.23 C ATOM 979 O LYS A 64 -9.764 -7.104 10.853 1.00 62.55 O ATOM 980 CB LYS A 64 -10.309 -9.241 9.063 1.00 71.42 C ATOM 981 CG LYS A 64 -9.107 -10.024 9.638 1.00 44.41 C ATOM 982 CD LYS A 64 -9.511 -11.380 10.262 1.00 50.12 C ATOM 983 CE LYS A 64 -8.290 -12.230 10.653 1.00 71.54 C ATOM 984 NZ LYS A 64 -7.512 -12.675 9.463 1.00 63.34 N ATOM 0 H LYS A 64 -7.909 -7.770 8.073 1.00 5.51 H new ATOM 0 HA LYS A 64 -10.852 -7.472 7.987 1.00 72.12 H new ATOM 0 HB2 LYS A 64 -11.069 -9.149 9.839 1.00 71.42 H new ATOM 0 HB3 LYS A 64 -10.749 -9.823 8.253 1.00 71.42 H new ATOM 0 HG2 LYS A 64 -8.381 -10.198 8.844 1.00 44.41 H new ATOM 0 HG3 LYS A 64 -8.612 -9.415 10.395 1.00 44.41 H new ATOM 0 HD2 LYS A 64 -10.125 -11.202 11.145 1.00 50.12 H new ATOM 0 HD3 LYS A 64 -10.125 -11.935 9.553 1.00 50.12 H new ATOM 0 HE2 LYS A 64 -7.643 -11.652 11.313 1.00 71.54 H new ATOM 0 HE3 LYS A 64 -8.622 -13.103 11.216 1.00 71.54 H new ATOM 0 HZ1 LYS A 64 -6.815 -13.391 9.752 1.00 63.34 H new ATOM 0 HZ2 LYS A 64 -8.158 -13.085 8.759 1.00 63.34 H new ATOM 0 HZ3 LYS A 64 -7.019 -11.860 9.046 1.00 63.34 H new ATOM 998 N HIS A 65 -9.385 -5.552 9.234 1.00 62.15 N ATOM 999 CA HIS A 65 -9.139 -4.412 10.142 1.00 15.42 C ATOM 1000 C HIS A 65 -9.451 -3.112 9.398 1.00 12.11 C ATOM 1001 O HIS A 65 -9.236 -3.035 8.195 1.00 30.25 O ATOM 1002 CB HIS A 65 -7.670 -4.387 10.681 1.00 65.10 C ATOM 1003 CG HIS A 65 -6.588 -4.191 9.635 1.00 14.13 C ATOM 1004 ND1 HIS A 65 -6.152 -2.947 9.203 1.00 42.43 N ATOM 1005 CD2 HIS A 65 -5.840 -5.092 8.952 1.00 2.31 C ATOM 1006 CE1 HIS A 65 -5.191 -3.104 8.311 1.00 53.33 C ATOM 1007 NE2 HIS A 65 -4.981 -4.392 8.140 1.00 14.42 N ATOM 0 H HIS A 65 -9.300 -5.308 8.247 1.00 62.15 H new ATOM 0 HA HIS A 65 -9.791 -4.520 11.009 1.00 15.42 H new ATOM 0 HB2 HIS A 65 -7.586 -3.588 11.418 1.00 65.10 H new ATOM 0 HB3 HIS A 65 -7.478 -5.324 11.204 1.00 65.10 H new ATOM 0 HD1 HIS A 65 -6.517 -2.050 9.524 1.00 42.43 H new ATOM 0 HD2 HIS A 65 -5.907 -6.167 9.032 1.00 2.31 H new ATOM 0 HE1 HIS A 65 -4.665 -2.308 7.806 1.00 53.33 H new ATOM 1016 N ASN A 66 -9.920 -2.092 10.128 1.00 14.15 N ATOM 1017 CA ASN A 66 -10.244 -0.760 9.554 1.00 42.03 C ATOM 1018 C ASN A 66 -9.233 0.284 10.063 1.00 24.34 C ATOM 1019 O ASN A 66 -9.317 1.471 9.726 1.00 62.31 O ATOM 1020 CB ASN A 66 -11.702 -0.313 9.892 1.00 53.02 C ATOM 1021 CG ASN A 66 -12.787 -1.293 9.438 1.00 53.02 C ATOM 1022 OD1 ASN A 66 -12.613 -2.507 9.481 1.00 22.14 O ATOM 1023 ND2 ASN A 66 -13.920 -0.773 8.990 1.00 23.44 N ATOM 0 H ASN A 66 -10.089 -2.157 11.132 1.00 14.15 H new ATOM 0 HA ASN A 66 -10.176 -0.839 8.469 1.00 42.03 H new ATOM 0 HB2 ASN A 66 -11.785 -0.172 10.970 1.00 53.02 H new ATOM 0 HB3 ASN A 66 -11.888 0.656 9.429 1.00 53.02 H new ATOM 0 HD21 ASN A 66 -14.671 -1.385 8.671 1.00 23.44 H new ATOM 0 HD22 ASN A 66 -14.041 0.239 8.964 1.00 23.44 H new ATOM 1030 N ASN A 67 -8.282 -0.182 10.894 1.00 45.02 N ATOM 1031 CA ASN A 67 -7.185 0.635 11.432 1.00 62.15 C ATOM 1032 C ASN A 67 -6.131 0.891 10.339 1.00 62.41 C ATOM 1033 O ASN A 67 -5.518 -0.057 9.827 1.00 15.21 O ATOM 1034 CB ASN A 67 -6.557 -0.088 12.658 1.00 71.43 C ATOM 1035 CG ASN A 67 -5.359 0.639 13.277 1.00 31.10 C ATOM 1036 OD1 ASN A 67 -5.237 1.853 13.197 1.00 74.53 O ATOM 1037 ND2 ASN A 67 -4.475 -0.105 13.924 1.00 23.03 N ATOM 0 H ASN A 67 -8.256 -1.150 11.213 1.00 45.02 H new ATOM 0 HA ASN A 67 -7.571 1.601 11.757 1.00 62.15 H new ATOM 0 HB2 ASN A 67 -7.324 -0.214 13.422 1.00 71.43 H new ATOM 0 HB3 ASN A 67 -6.243 -1.086 12.354 1.00 71.43 H new ATOM 0 HD21 ASN A 67 -3.669 0.333 14.370 1.00 23.03 H new ATOM 0 HD22 ASN A 67 -4.600 -1.116 13.976 1.00 23.03 H new ATOM 1044 N MET A 68 -5.942 2.176 9.981 1.00 43.53 N ATOM 1045 CA MET A 68 -4.954 2.593 8.966 1.00 34.32 C ATOM 1046 C MET A 68 -3.528 2.540 9.539 1.00 3.10 C ATOM 1047 O MET A 68 -2.588 2.185 8.826 1.00 30.54 O ATOM 1048 CB MET A 68 -5.269 4.016 8.426 1.00 22.42 C ATOM 1049 CG MET A 68 -4.401 4.440 7.243 1.00 73.21 C ATOM 1050 SD MET A 68 -4.514 3.256 5.887 1.00 32.30 S ATOM 1051 CE MET A 68 -3.405 4.002 4.714 1.00 44.42 C ATOM 0 H MET A 68 -6.467 2.951 10.385 1.00 43.53 H new ATOM 0 HA MET A 68 -5.019 1.893 8.133 1.00 34.32 H new ATOM 0 HB2 MET A 68 -6.316 4.056 8.127 1.00 22.42 H new ATOM 0 HB3 MET A 68 -5.140 4.736 9.234 1.00 22.42 H new ATOM 0 HG2 MET A 68 -4.713 5.425 6.895 1.00 73.21 H new ATOM 0 HG3 MET A 68 -3.363 4.529 7.565 1.00 73.21 H new ATOM 0 HE1 MET A 68 -3.139 3.272 3.949 1.00 44.42 H new ATOM 0 HE2 MET A 68 -3.892 4.857 4.245 1.00 44.42 H new ATOM 0 HE3 MET A 68 -2.503 4.335 5.227 1.00 44.42 H new ATOM 1061 N ALA A 69 -3.393 2.882 10.837 1.00 4.34 N ATOM 1062 CA ALA A 69 -2.100 2.855 11.551 1.00 63.43 C ATOM 1063 C ALA A 69 -1.460 1.451 11.515 1.00 1.31 C ATOM 1064 O ALA A 69 -0.237 1.324 11.492 1.00 23.31 O ATOM 1065 CB ALA A 69 -2.281 3.332 12.998 1.00 21.31 C ATOM 0 H ALA A 69 -4.175 3.184 11.418 1.00 4.34 H new ATOM 0 HA ALA A 69 -1.421 3.536 11.039 1.00 63.43 H new ATOM 0 HB1 ALA A 69 -1.320 3.307 13.512 1.00 21.31 H new ATOM 0 HB2 ALA A 69 -2.667 4.351 12.999 1.00 21.31 H new ATOM 0 HB3 ALA A 69 -2.985 2.677 13.512 1.00 21.31 H new ATOM 1071 N SER A 70 -2.323 0.410 11.515 1.00 32.42 N ATOM 1072 CA SER A 70 -1.918 -0.997 11.335 1.00 14.42 C ATOM 1073 C SER A 70 -1.202 -1.200 9.981 1.00 71.32 C ATOM 1074 O SER A 70 -0.078 -1.703 9.935 1.00 25.42 O ATOM 1075 CB SER A 70 -3.171 -1.903 11.419 1.00 2.13 C ATOM 1076 OG SER A 70 -2.863 -3.271 11.222 1.00 11.34 O ATOM 0 H SER A 70 -3.328 0.527 11.641 1.00 32.42 H new ATOM 0 HA SER A 70 -1.217 -1.265 12.126 1.00 14.42 H new ATOM 0 HB2 SER A 70 -3.643 -1.776 12.393 1.00 2.13 H new ATOM 0 HB3 SER A 70 -3.896 -1.585 10.670 1.00 2.13 H new ATOM 0 HG SER A 70 -3.683 -3.803 11.286 1.00 11.34 H new ATOM 1082 N PHE A 71 -1.860 -0.740 8.898 1.00 25.34 N ATOM 1083 CA PHE A 71 -1.404 -0.937 7.504 1.00 74.42 C ATOM 1084 C PHE A 71 -0.068 -0.199 7.251 1.00 21.10 C ATOM 1085 O PHE A 71 0.897 -0.796 6.754 1.00 44.30 O ATOM 1086 CB PHE A 71 -2.515 -0.436 6.532 1.00 53.23 C ATOM 1087 CG PHE A 71 -2.157 -0.473 5.042 1.00 3.35 C ATOM 1088 CD1 PHE A 71 -2.135 -1.678 4.339 1.00 13.13 C ATOM 1089 CD2 PHE A 71 -1.850 0.700 4.340 1.00 11.33 C ATOM 1090 CE1 PHE A 71 -1.810 -1.713 2.994 1.00 4.44 C ATOM 1091 CE2 PHE A 71 -1.529 0.662 2.995 1.00 64.31 C ATOM 1092 CZ PHE A 71 -1.512 -0.544 2.323 1.00 41.32 C ATOM 0 H PHE A 71 -2.732 -0.216 8.965 1.00 25.34 H new ATOM 0 HA PHE A 71 -1.225 -1.998 7.328 1.00 74.42 H new ATOM 0 HB2 PHE A 71 -3.409 -1.040 6.688 1.00 53.23 H new ATOM 0 HB3 PHE A 71 -2.772 0.589 6.800 1.00 53.23 H new ATOM 0 HD1 PHE A 71 -2.375 -2.597 4.852 1.00 13.13 H new ATOM 0 HD2 PHE A 71 -1.864 1.648 4.857 1.00 11.33 H new ATOM 0 HE1 PHE A 71 -1.790 -2.656 2.469 1.00 4.44 H new ATOM 0 HE2 PHE A 71 -1.292 1.576 2.471 1.00 64.31 H new ATOM 0 HZ PHE A 71 -1.265 -0.573 1.272 1.00 41.32 H new ATOM 1102 N VAL A 72 -0.052 1.101 7.605 1.00 20.05 N ATOM 1103 CA VAL A 72 1.124 1.981 7.463 1.00 24.41 C ATOM 1104 C VAL A 72 2.344 1.433 8.242 1.00 11.02 C ATOM 1105 O VAL A 72 3.442 1.365 7.683 1.00 31.34 O ATOM 1106 CB VAL A 72 0.782 3.447 7.938 1.00 53.54 C ATOM 1107 CG1 VAL A 72 2.015 4.380 7.873 1.00 74.22 C ATOM 1108 CG2 VAL A 72 -0.394 4.030 7.114 1.00 25.41 C ATOM 0 H VAL A 72 -0.864 1.574 8.002 1.00 20.05 H new ATOM 0 HA VAL A 72 1.389 2.006 6.406 1.00 24.41 H new ATOM 0 HB VAL A 72 0.478 3.387 8.983 1.00 53.54 H new ATOM 0 HG11 VAL A 72 1.734 5.378 8.209 1.00 74.22 H new ATOM 0 HG12 VAL A 72 2.802 3.989 8.518 1.00 74.22 H new ATOM 0 HG13 VAL A 72 2.379 4.431 6.847 1.00 74.22 H new ATOM 0 HG21 VAL A 72 -0.613 5.041 7.458 1.00 25.41 H new ATOM 0 HG22 VAL A 72 -0.121 4.057 6.059 1.00 25.41 H new ATOM 0 HG23 VAL A 72 -1.276 3.403 7.245 1.00 25.41 H new ATOM 1118 N ARG A 73 2.120 1.015 9.512 1.00 1.41 N ATOM 1119 CA ARG A 73 3.194 0.495 10.393 1.00 51.35 C ATOM 1120 C ARG A 73 3.908 -0.714 9.769 1.00 73.02 C ATOM 1121 O ARG A 73 5.137 -0.801 9.838 1.00 21.20 O ATOM 1122 CB ARG A 73 2.649 0.121 11.801 1.00 71.21 C ATOM 1123 CG ARG A 73 3.680 -0.593 12.715 1.00 43.30 C ATOM 1124 CD ARG A 73 3.226 -0.718 14.175 1.00 33.30 C ATOM 1125 NE ARG A 73 4.207 -1.452 14.996 1.00 23.13 N ATOM 1126 CZ ARG A 73 5.379 -0.964 15.438 1.00 14.32 C ATOM 1127 NH1 ARG A 73 5.771 0.280 15.158 1.00 5.14 N ATOM 1128 NH2 ARG A 73 6.162 -1.735 16.173 1.00 12.24 N ATOM 0 H ARG A 73 1.199 1.028 9.951 1.00 1.41 H new ATOM 0 HA ARG A 73 3.920 1.300 10.506 1.00 51.35 H new ATOM 0 HB2 ARG A 73 2.307 1.029 12.298 1.00 71.21 H new ATOM 0 HB3 ARG A 73 1.779 -0.524 11.681 1.00 71.21 H new ATOM 0 HG2 ARG A 73 3.876 -1.589 12.318 1.00 43.30 H new ATOM 0 HG3 ARG A 73 4.622 -0.046 12.682 1.00 43.30 H new ATOM 0 HD2 ARG A 73 3.074 0.277 14.594 1.00 33.30 H new ATOM 0 HD3 ARG A 73 2.265 -1.231 14.213 1.00 33.30 H new ATOM 0 HE ARG A 73 3.976 -2.412 15.250 1.00 23.13 H new ATOM 0 HH11 ARG A 73 5.176 0.888 14.595 1.00 5.14 H new ATOM 0 HH12 ARG A 73 6.666 0.623 15.507 1.00 5.14 H new ATOM 0 HH21 ARG A 73 5.874 -2.687 16.398 1.00 12.24 H new ATOM 0 HH22 ARG A 73 7.054 -1.378 16.515 1.00 12.24 H new ATOM 1142 N GLN A 74 3.126 -1.621 9.143 1.00 34.53 N ATOM 1143 CA GLN A 74 3.681 -2.834 8.523 1.00 41.15 C ATOM 1144 C GLN A 74 4.671 -2.446 7.413 1.00 74.22 C ATOM 1145 O GLN A 74 5.806 -2.927 7.397 1.00 34.22 O ATOM 1146 CB GLN A 74 2.573 -3.757 7.959 1.00 34.44 C ATOM 1147 CG GLN A 74 1.550 -4.278 8.992 1.00 42.34 C ATOM 1148 CD GLN A 74 2.195 -4.933 10.213 1.00 32.14 C ATOM 1149 OE1 GLN A 74 2.440 -4.283 11.230 1.00 52.12 O ATOM 1150 NE2 GLN A 74 2.485 -6.218 10.122 1.00 22.01 N ATOM 0 H GLN A 74 2.114 -1.532 9.056 1.00 34.53 H new ATOM 0 HA GLN A 74 4.204 -3.395 9.298 1.00 41.15 H new ATOM 0 HB2 GLN A 74 2.034 -3.215 7.182 1.00 34.44 H new ATOM 0 HB3 GLN A 74 3.047 -4.614 7.480 1.00 34.44 H new ATOM 0 HG2 GLN A 74 0.925 -3.448 9.323 1.00 42.34 H new ATOM 0 HG3 GLN A 74 0.892 -5.000 8.508 1.00 42.34 H new ATOM 0 HE21 GLN A 74 2.270 -6.730 9.266 1.00 22.01 H new ATOM 0 HE22 GLN A 74 2.924 -6.699 10.907 1.00 22.01 H new ATOM 1159 N LEU A 75 4.237 -1.513 6.538 1.00 10.23 N ATOM 1160 CA LEU A 75 5.036 -1.039 5.392 1.00 3.52 C ATOM 1161 C LEU A 75 6.302 -0.297 5.866 1.00 60.22 C ATOM 1162 O LEU A 75 7.382 -0.501 5.314 1.00 11.53 O ATOM 1163 CB LEU A 75 4.173 -0.127 4.477 1.00 60.40 C ATOM 1164 CG LEU A 75 2.925 -0.808 3.829 1.00 30.34 C ATOM 1165 CD1 LEU A 75 2.115 0.188 2.988 1.00 33.41 C ATOM 1166 CD2 LEU A 75 3.326 -2.040 2.989 1.00 24.11 C ATOM 0 H LEU A 75 3.322 -1.068 6.608 1.00 10.23 H new ATOM 0 HA LEU A 75 5.357 -1.907 4.816 1.00 3.52 H new ATOM 0 HB2 LEU A 75 3.835 0.728 5.062 1.00 60.40 H new ATOM 0 HB3 LEU A 75 4.807 0.262 3.680 1.00 60.40 H new ATOM 0 HG LEU A 75 2.287 -1.153 4.643 1.00 30.34 H new ATOM 0 HD11 LEU A 75 1.254 -0.319 2.552 1.00 33.41 H new ATOM 0 HD12 LEU A 75 1.772 1.005 3.622 1.00 33.41 H new ATOM 0 HD13 LEU A 75 2.743 0.587 2.191 1.00 33.41 H new ATOM 0 HD21 LEU A 75 2.434 -2.489 2.553 1.00 24.11 H new ATOM 0 HD22 LEU A 75 4.004 -1.732 2.193 1.00 24.11 H new ATOM 0 HD23 LEU A 75 3.824 -2.769 3.628 1.00 24.11 H new ATOM 1178 N ASN A 76 6.149 0.555 6.897 1.00 11.04 N ATOM 1179 CA ASN A 76 7.278 1.298 7.514 1.00 4.13 C ATOM 1180 C ASN A 76 8.344 0.332 8.081 1.00 43.24 C ATOM 1181 O ASN A 76 9.550 0.594 7.967 1.00 30.23 O ATOM 1182 CB ASN A 76 6.768 2.276 8.616 1.00 74.22 C ATOM 1183 CG ASN A 76 6.039 3.527 8.082 1.00 12.14 C ATOM 1184 OD1 ASN A 76 5.319 3.417 6.966 1.00 10.43 O flip ATOM 1185 ND2 ASN A 76 6.106 4.598 8.691 1.00 4.43 N flip ATOM 0 H ASN A 76 5.246 0.751 7.328 1.00 11.04 H new ATOM 0 HA ASN A 76 7.751 1.890 6.731 1.00 4.13 H new ATOM 0 HB2 ASN A 76 6.093 1.734 9.279 1.00 74.22 H new ATOM 0 HB3 ASN A 76 7.617 2.597 9.219 1.00 74.22 H new ATOM 0 HD21 ASN A 76 6.661 4.666 9.544 1.00 4.43 H new ATOM 0 HD22 ASN A 76 5.606 5.415 8.342 1.00 4.43 H new ATOM 1192 N MET A 77 7.888 -0.799 8.669 1.00 43.45 N ATOM 1193 CA MET A 77 8.792 -1.873 9.144 1.00 31.43 C ATOM 1194 C MET A 77 9.415 -2.619 7.949 1.00 32.31 C ATOM 1195 O MET A 77 10.575 -3.030 8.013 1.00 22.14 O ATOM 1196 CB MET A 77 8.055 -2.875 10.080 1.00 54.30 C ATOM 1197 CG MET A 77 7.581 -2.285 11.416 1.00 51.22 C ATOM 1198 SD MET A 77 6.936 -3.535 12.557 1.00 54.54 S ATOM 1199 CE MET A 77 5.666 -4.327 11.565 1.00 15.34 C ATOM 0 H MET A 77 6.899 -0.991 8.826 1.00 43.45 H new ATOM 0 HA MET A 77 9.586 -1.401 9.723 1.00 31.43 H new ATOM 0 HB2 MET A 77 7.191 -3.276 9.550 1.00 54.30 H new ATOM 0 HB3 MET A 77 8.720 -3.714 10.286 1.00 54.30 H new ATOM 0 HG2 MET A 77 8.412 -1.763 11.891 1.00 51.22 H new ATOM 0 HG3 MET A 77 6.806 -1.543 11.224 1.00 51.22 H new ATOM 0 HE1 MET A 77 5.189 -5.116 12.147 1.00 15.34 H new ATOM 0 HE2 MET A 77 4.919 -3.589 11.274 1.00 15.34 H new ATOM 0 HE3 MET A 77 6.118 -4.758 10.671 1.00 15.34 H new ATOM 1209 N TYR A 78 8.654 -2.728 6.836 1.00 24.24 N ATOM 1210 CA TYR A 78 9.110 -3.406 5.594 1.00 31.21 C ATOM 1211 C TYR A 78 10.163 -2.552 4.835 1.00 1.52 C ATOM 1212 O TYR A 78 10.688 -2.978 3.798 1.00 63.42 O ATOM 1213 CB TYR A 78 7.897 -3.725 4.662 1.00 25.42 C ATOM 1214 CG TYR A 78 7.113 -5.012 4.976 1.00 1.42 C ATOM 1215 CD1 TYR A 78 7.754 -6.249 5.008 1.00 3.45 C ATOM 1216 CD2 TYR A 78 5.730 -4.996 5.194 1.00 32.41 C ATOM 1217 CE1 TYR A 78 7.053 -7.412 5.246 1.00 64.13 C ATOM 1218 CE2 TYR A 78 5.030 -6.158 5.443 1.00 74.01 C ATOM 1219 CZ TYR A 78 5.695 -7.361 5.468 1.00 71.31 C ATOM 1220 OH TYR A 78 4.992 -8.525 5.689 1.00 61.42 O ATOM 0 H TYR A 78 7.709 -2.351 6.770 1.00 24.24 H new ATOM 0 HA TYR A 78 9.584 -4.343 5.886 1.00 31.21 H new ATOM 0 HB2 TYR A 78 7.204 -2.884 4.703 1.00 25.42 H new ATOM 0 HB3 TYR A 78 8.261 -3.788 3.637 1.00 25.42 H new ATOM 0 HD1 TYR A 78 8.820 -6.297 4.843 1.00 3.45 H new ATOM 0 HD2 TYR A 78 5.201 -4.055 5.167 1.00 32.41 H new ATOM 0 HE1 TYR A 78 7.568 -8.361 5.258 1.00 64.13 H new ATOM 0 HE2 TYR A 78 3.965 -6.123 5.617 1.00 74.01 H new ATOM 0 HH TYR A 78 4.045 -8.314 5.829 1.00 61.42 H new ATOM 1230 N GLY A 79 10.464 -1.350 5.363 1.00 11.01 N ATOM 1231 CA GLY A 79 11.456 -0.451 4.775 1.00 41.22 C ATOM 1232 C GLY A 79 10.881 0.486 3.718 1.00 72.12 C ATOM 1233 O GLY A 79 11.646 1.102 2.965 1.00 60.30 O ATOM 0 H GLY A 79 10.024 -0.983 6.207 1.00 11.01 H new ATOM 0 HA2 GLY A 79 11.910 0.144 5.568 1.00 41.22 H new ATOM 0 HA3 GLY A 79 12.252 -1.045 4.327 1.00 41.22 H new ATOM 1237 N PHE A 80 9.530 0.581 3.635 1.00 73.54 N ATOM 1238 CA PHE A 80 8.848 1.541 2.734 1.00 20.13 C ATOM 1239 C PHE A 80 8.969 2.939 3.346 1.00 70.43 C ATOM 1240 O PHE A 80 8.946 3.079 4.575 1.00 53.33 O ATOM 1241 CB PHE A 80 7.340 1.199 2.520 1.00 14.21 C ATOM 1242 CG PHE A 80 7.051 -0.025 1.644 1.00 12.33 C ATOM 1243 CD1 PHE A 80 7.312 -1.317 2.097 1.00 61.44 C ATOM 1244 CD2 PHE A 80 6.502 0.114 0.365 1.00 22.43 C ATOM 1245 CE1 PHE A 80 7.034 -2.424 1.308 1.00 60.41 C ATOM 1246 CE2 PHE A 80 6.229 -0.994 -0.420 1.00 33.23 C ATOM 1247 CZ PHE A 80 6.495 -2.260 0.051 1.00 13.21 C ATOM 0 H PHE A 80 8.892 0.003 4.182 1.00 73.54 H new ATOM 0 HA PHE A 80 9.328 1.489 1.757 1.00 20.13 H new ATOM 0 HB2 PHE A 80 6.881 1.040 3.496 1.00 14.21 H new ATOM 0 HB3 PHE A 80 6.850 2.065 2.074 1.00 14.21 H new ATOM 0 HD1 PHE A 80 7.738 -1.459 3.079 1.00 61.44 H new ATOM 0 HD2 PHE A 80 6.288 1.101 -0.017 1.00 22.43 H new ATOM 0 HE1 PHE A 80 7.241 -3.417 1.680 1.00 60.41 H new ATOM 0 HE2 PHE A 80 5.806 -0.864 -1.405 1.00 33.23 H new ATOM 0 HZ PHE A 80 6.282 -3.122 -0.563 1.00 13.21 H new ATOM 1257 N ARG A 81 9.051 3.959 2.499 1.00 51.25 N ATOM 1258 CA ARG A 81 9.285 5.336 2.936 1.00 42.43 C ATOM 1259 C ARG A 81 7.944 6.072 2.980 1.00 31.43 C ATOM 1260 O ARG A 81 7.240 6.144 1.972 1.00 60.43 O ATOM 1261 CB ARG A 81 10.265 6.029 1.956 1.00 74.53 C ATOM 1262 CG ARG A 81 10.715 7.445 2.365 1.00 11.51 C ATOM 1263 CD ARG A 81 11.668 8.075 1.333 1.00 71.14 C ATOM 1264 NE ARG A 81 12.758 7.155 0.951 1.00 54.23 N ATOM 1265 CZ ARG A 81 14.033 7.221 1.366 1.00 41.42 C ATOM 1266 NH1 ARG A 81 14.444 8.180 2.198 1.00 61.20 N ATOM 1267 NH2 ARG A 81 14.895 6.306 0.950 1.00 51.34 N ATOM 0 H ARG A 81 8.957 3.857 1.488 1.00 51.25 H new ATOM 0 HA ARG A 81 9.730 5.350 3.931 1.00 42.43 H new ATOM 0 HB2 ARG A 81 11.150 5.401 1.849 1.00 74.53 H new ATOM 0 HB3 ARG A 81 9.793 6.085 0.975 1.00 74.53 H new ATOM 0 HG2 ARG A 81 9.839 8.082 2.484 1.00 11.51 H new ATOM 0 HG3 ARG A 81 11.211 7.401 3.335 1.00 11.51 H new ATOM 0 HD2 ARG A 81 11.104 8.357 0.444 1.00 71.14 H new ATOM 0 HD3 ARG A 81 12.094 8.990 1.744 1.00 71.14 H new ATOM 0 HE ARG A 81 12.520 6.397 0.311 1.00 54.23 H new ATOM 0 HH11 ARG A 81 13.784 8.883 2.532 1.00 61.20 H new ATOM 0 HH12 ARG A 81 15.418 8.210 2.500 1.00 61.20 H new ATOM 0 HH21 ARG A 81 14.587 5.563 0.322 1.00 51.34 H new ATOM 0 HH22 ARG A 81 15.867 6.344 1.257 1.00 51.34 H new ATOM 1281 N LYS A 82 7.608 6.594 4.163 1.00 22.53 N ATOM 1282 CA LYS A 82 6.369 7.323 4.440 1.00 20.12 C ATOM 1283 C LYS A 82 6.519 8.773 3.931 1.00 44.41 C ATOM 1284 O LYS A 82 7.365 9.523 4.436 1.00 44.21 O ATOM 1285 CB LYS A 82 6.133 7.283 5.985 1.00 63.14 C ATOM 1286 CG LYS A 82 4.947 8.125 6.494 1.00 54.40 C ATOM 1287 CD LYS A 82 3.580 7.564 6.067 1.00 62.24 C ATOM 1288 CE LYS A 82 2.433 8.545 6.351 1.00 2.25 C ATOM 1289 NZ LYS A 82 2.300 8.887 7.789 1.00 52.13 N ATOM 0 H LYS A 82 8.212 6.518 4.981 1.00 22.53 H new ATOM 0 HA LYS A 82 5.514 6.875 3.934 1.00 20.12 H new ATOM 0 HB2 LYS A 82 5.976 6.247 6.285 1.00 63.14 H new ATOM 0 HB3 LYS A 82 7.040 7.625 6.483 1.00 63.14 H new ATOM 0 HG2 LYS A 82 4.987 8.178 7.582 1.00 54.40 H new ATOM 0 HG3 LYS A 82 5.047 9.144 6.121 1.00 54.40 H new ATOM 0 HD2 LYS A 82 3.601 7.332 5.002 1.00 62.24 H new ATOM 0 HD3 LYS A 82 3.393 6.628 6.593 1.00 62.24 H new ATOM 0 HE2 LYS A 82 2.595 9.459 5.780 1.00 2.25 H new ATOM 0 HE3 LYS A 82 1.497 8.111 5.999 1.00 2.25 H new ATOM 0 HZ1 LYS A 82 1.499 9.538 7.918 1.00 52.13 H new ATOM 0 HZ2 LYS A 82 2.133 8.020 8.338 1.00 52.13 H new ATOM 0 HZ3 LYS A 82 3.174 9.343 8.120 1.00 52.13 H new ATOM 1303 N VAL A 83 5.737 9.154 2.898 1.00 23.45 N ATOM 1304 CA VAL A 83 5.753 10.519 2.326 1.00 50.14 C ATOM 1305 C VAL A 83 4.326 11.097 2.374 1.00 12.53 C ATOM 1306 O VAL A 83 3.394 10.474 1.872 1.00 35.02 O ATOM 1307 CB VAL A 83 6.279 10.529 0.832 1.00 2.32 C ATOM 1308 CG1 VAL A 83 6.412 11.973 0.288 1.00 43.12 C ATOM 1309 CG2 VAL A 83 7.613 9.756 0.694 1.00 52.21 C ATOM 0 H VAL A 83 5.078 8.526 2.438 1.00 23.45 H new ATOM 0 HA VAL A 83 6.435 11.129 2.919 1.00 50.14 H new ATOM 0 HB VAL A 83 5.535 10.013 0.224 1.00 2.32 H new ATOM 0 HG11 VAL A 83 6.775 11.943 -0.739 1.00 43.12 H new ATOM 0 HG12 VAL A 83 5.439 12.463 0.314 1.00 43.12 H new ATOM 0 HG13 VAL A 83 7.116 12.531 0.905 1.00 43.12 H new ATOM 0 HG21 VAL A 83 7.944 9.784 -0.344 1.00 52.21 H new ATOM 0 HG22 VAL A 83 8.369 10.219 1.328 1.00 52.21 H new ATOM 0 HG23 VAL A 83 7.467 8.720 1.001 1.00 52.21 H new ATOM 1319 N VAL A 84 4.170 12.283 2.985 1.00 32.22 N ATOM 1320 CA VAL A 84 2.878 12.997 3.089 1.00 23.23 C ATOM 1321 C VAL A 84 2.910 14.188 2.117 1.00 2.14 C ATOM 1322 O VAL A 84 3.677 15.138 2.322 1.00 51.32 O ATOM 1323 CB VAL A 84 2.623 13.479 4.575 1.00 71.55 C ATOM 1324 CG1 VAL A 84 1.360 14.371 4.702 1.00 75.21 C ATOM 1325 CG2 VAL A 84 2.539 12.266 5.536 1.00 42.44 C ATOM 0 H VAL A 84 4.943 12.782 3.426 1.00 32.22 H new ATOM 0 HA VAL A 84 2.058 12.329 2.824 1.00 23.23 H new ATOM 0 HB VAL A 84 3.475 14.096 4.860 1.00 71.55 H new ATOM 0 HG11 VAL A 84 1.231 14.674 5.741 1.00 75.21 H new ATOM 0 HG12 VAL A 84 1.476 15.257 4.077 1.00 75.21 H new ATOM 0 HG13 VAL A 84 0.484 13.810 4.377 1.00 75.21 H new ATOM 0 HG21 VAL A 84 2.363 12.619 6.552 1.00 42.44 H new ATOM 0 HG22 VAL A 84 1.719 11.616 5.231 1.00 42.44 H new ATOM 0 HG23 VAL A 84 3.475 11.709 5.502 1.00 42.44 H new ATOM 1335 N HIS A 85 2.115 14.109 1.036 1.00 41.00 N ATOM 1336 CA HIS A 85 2.139 15.110 -0.051 1.00 55.43 C ATOM 1337 C HIS A 85 1.186 16.268 0.229 1.00 11.20 C ATOM 1338 O HIS A 85 1.561 17.436 0.072 1.00 0.53 O ATOM 1339 CB HIS A 85 1.801 14.456 -1.415 1.00 1.30 C ATOM 1340 CG HIS A 85 2.907 13.593 -1.947 1.00 3.22 C ATOM 1341 ND1 HIS A 85 3.893 14.084 -2.775 1.00 52.43 N ATOM 1342 CD2 HIS A 85 3.212 12.288 -1.740 1.00 12.14 C ATOM 1343 CE1 HIS A 85 4.755 13.130 -3.044 1.00 71.25 C ATOM 1344 NE2 HIS A 85 4.365 12.033 -2.436 1.00 22.31 N ATOM 0 H HIS A 85 1.442 13.357 0.889 1.00 41.00 H new ATOM 0 HA HIS A 85 3.151 15.511 -0.097 1.00 55.43 H new ATOM 0 HB2 HIS A 85 0.899 13.854 -1.308 1.00 1.30 H new ATOM 0 HB3 HIS A 85 1.578 15.238 -2.141 1.00 1.30 H new ATOM 0 HD1 HIS A 85 3.945 15.041 -3.125 1.00 52.43 H new ATOM 0 HD2 HIS A 85 2.653 11.584 -1.141 1.00 12.14 H new ATOM 0 HE1 HIS A 85 5.636 13.231 -3.661 1.00 71.25 H new ATOM 1353 N ILE A 86 -0.051 15.945 0.638 1.00 31.14 N ATOM 1354 CA ILE A 86 -1.086 16.959 0.856 1.00 42.14 C ATOM 1355 C ILE A 86 -0.880 17.630 2.225 1.00 74.33 C ATOM 1356 O ILE A 86 -1.341 17.140 3.263 1.00 23.24 O ATOM 1357 CB ILE A 86 -2.544 16.388 0.730 1.00 61.31 C ATOM 1358 CG1 ILE A 86 -2.719 15.565 -0.584 1.00 43.32 C ATOM 1359 CG2 ILE A 86 -3.582 17.531 0.803 1.00 74.31 C ATOM 1360 CD1 ILE A 86 -2.445 16.329 -1.869 1.00 51.50 C ATOM 0 H ILE A 86 -0.355 14.989 0.823 1.00 31.14 H new ATOM 0 HA ILE A 86 -0.981 17.701 0.064 1.00 42.14 H new ATOM 0 HB ILE A 86 -2.713 15.713 1.569 1.00 61.31 H new ATOM 0 HG12 ILE A 86 -2.054 14.702 -0.544 1.00 43.32 H new ATOM 0 HG13 ILE A 86 -3.738 15.180 -0.619 1.00 43.32 H new ATOM 0 HG21 ILE A 86 -4.586 17.117 0.714 1.00 74.31 H new ATOM 0 HG22 ILE A 86 -3.486 18.049 1.757 1.00 74.31 H new ATOM 0 HG23 ILE A 86 -3.406 18.235 -0.011 1.00 74.31 H new ATOM 0 HD11 ILE A 86 -2.594 15.669 -2.724 1.00 51.50 H new ATOM 0 HD12 ILE A 86 -3.127 17.176 -1.941 1.00 51.50 H new ATOM 0 HD13 ILE A 86 -1.417 16.691 -1.865 1.00 51.50 H new ATOM 1372 N GLU A 87 -0.100 18.718 2.193 1.00 71.15 N ATOM 1373 CA GLU A 87 0.096 19.626 3.327 1.00 21.33 C ATOM 1374 C GLU A 87 -1.221 20.366 3.639 1.00 43.15 C ATOM 1375 O GLU A 87 -1.499 21.441 3.076 1.00 62.33 O ATOM 1376 CB GLU A 87 1.224 20.641 3.012 1.00 4.45 C ATOM 1377 CG GLU A 87 2.567 20.009 2.600 1.00 51.21 C ATOM 1378 CD GLU A 87 3.635 21.063 2.257 1.00 45.21 C ATOM 1379 OE1 GLU A 87 3.682 21.519 1.088 1.00 12.14 O ATOM 1380 OE2 GLU A 87 4.415 21.449 3.157 1.00 33.41 O ATOM 0 H GLU A 87 0.422 18.996 1.362 1.00 71.15 H new ATOM 0 HA GLU A 87 0.389 19.045 4.201 1.00 21.33 H new ATOM 0 HB2 GLU A 87 0.888 21.299 2.211 1.00 4.45 H new ATOM 0 HB3 GLU A 87 1.387 21.265 3.890 1.00 4.45 H new ATOM 0 HG2 GLU A 87 2.931 19.378 3.411 1.00 51.21 H new ATOM 0 HG3 GLU A 87 2.410 19.361 1.737 1.00 51.21 H new ATOM 1387 N GLN A 88 -2.044 19.741 4.481 1.00 70.12 N ATOM 1388 CA GLN A 88 -3.331 20.290 4.917 1.00 45.53 C ATOM 1389 C GLN A 88 -3.097 21.319 6.035 1.00 74.33 C ATOM 1390 O GLN A 88 -2.955 20.964 7.211 1.00 13.15 O ATOM 1391 CB GLN A 88 -4.269 19.134 5.366 1.00 13.31 C ATOM 1392 CG GLN A 88 -4.696 18.207 4.216 1.00 21.22 C ATOM 1393 CD GLN A 88 -5.533 17.016 4.673 1.00 52.24 C ATOM 1394 OE1 GLN A 88 -6.761 17.089 4.742 1.00 55.20 O ATOM 1395 NE2 GLN A 88 -4.878 15.905 4.971 1.00 62.00 N ATOM 0 H GLN A 88 -1.835 18.828 4.885 1.00 70.12 H new ATOM 0 HA GLN A 88 -3.822 20.806 4.091 1.00 45.53 H new ATOM 0 HB2 GLN A 88 -3.764 18.543 6.130 1.00 13.31 H new ATOM 0 HB3 GLN A 88 -5.160 19.559 5.829 1.00 13.31 H new ATOM 0 HG2 GLN A 88 -5.266 18.784 3.488 1.00 21.22 H new ATOM 0 HG3 GLN A 88 -3.805 17.841 3.705 1.00 21.22 H new ATOM 0 HE21 GLN A 88 -3.861 15.879 4.903 1.00 62.00 H new ATOM 0 HE22 GLN A 88 -5.391 15.075 5.269 1.00 62.00 H new ATOM 1404 N GLY A 89 -2.983 22.591 5.628 1.00 63.30 N ATOM 1405 CA GLY A 89 -2.781 23.712 6.551 1.00 63.12 C ATOM 1406 C GLY A 89 -3.256 25.033 5.965 1.00 64.22 C ATOM 1407 O GLY A 89 -2.899 26.106 6.462 1.00 31.41 O ATOM 0 H GLY A 89 -3.029 22.870 4.648 1.00 63.30 H new ATOM 0 HA2 GLY A 89 -3.316 23.516 7.480 1.00 63.12 H new ATOM 0 HA3 GLY A 89 -1.723 23.788 6.802 1.00 63.12 H new ATOM 1411 N GLY A 90 -4.094 24.948 4.914 1.00 50.34 N ATOM 1412 CA GLY A 90 -4.615 26.123 4.216 1.00 63.43 C ATOM 1413 C GLY A 90 -3.756 26.539 3.022 1.00 25.22 C ATOM 1414 O GLY A 90 -3.740 27.719 2.643 1.00 1.12 O ATOM 0 H GLY A 90 -4.424 24.062 4.531 1.00 50.34 H new ATOM 0 HA2 GLY A 90 -5.628 25.915 3.872 1.00 63.43 H new ATOM 0 HA3 GLY A 90 -4.681 26.955 4.917 1.00 63.43 H new ATOM 1418 N LEU A 91 -3.041 25.564 2.427 1.00 41.25 N ATOM 1419 CA LEU A 91 -2.283 25.756 1.169 1.00 10.14 C ATOM 1420 C LEU A 91 -3.150 25.349 -0.044 1.00 35.22 C ATOM 1421 O LEU A 91 -4.242 24.793 0.126 1.00 12.33 O ATOM 1422 CB LEU A 91 -0.962 24.923 1.194 1.00 71.51 C ATOM 1423 CG LEU A 91 0.017 25.220 2.376 1.00 53.21 C ATOM 1424 CD1 LEU A 91 1.336 24.432 2.219 1.00 32.30 C ATOM 1425 CD2 LEU A 91 0.286 26.738 2.538 1.00 42.43 C ATOM 0 H LEU A 91 -2.971 24.619 2.804 1.00 41.25 H new ATOM 0 HA LEU A 91 -2.025 26.811 1.077 1.00 10.14 H new ATOM 0 HB2 LEU A 91 -1.224 23.865 1.223 1.00 71.51 H new ATOM 0 HB3 LEU A 91 -0.431 25.094 0.258 1.00 71.51 H new ATOM 0 HG LEU A 91 -0.470 24.881 3.290 1.00 53.21 H new ATOM 0 HD11 LEU A 91 1.997 24.659 3.056 1.00 32.30 H new ATOM 0 HD12 LEU A 91 1.122 23.363 2.205 1.00 32.30 H new ATOM 0 HD13 LEU A 91 1.821 24.717 1.286 1.00 32.30 H new ATOM 0 HD21 LEU A 91 0.971 26.899 3.370 1.00 42.43 H new ATOM 0 HD22 LEU A 91 0.729 27.129 1.622 1.00 42.43 H new ATOM 0 HD23 LEU A 91 -0.653 27.255 2.736 1.00 42.43 H new ATOM 1437 N VAL A 92 -2.647 25.628 -1.266 1.00 62.21 N ATOM 1438 CA VAL A 92 -3.342 25.308 -2.537 1.00 43.32 C ATOM 1439 C VAL A 92 -3.194 23.795 -2.870 1.00 14.51 C ATOM 1440 O VAL A 92 -2.411 23.372 -3.732 1.00 13.40 O ATOM 1441 CB VAL A 92 -2.851 26.267 -3.711 1.00 51.22 C ATOM 1442 CG1 VAL A 92 -1.311 26.246 -3.899 1.00 5.51 C ATOM 1443 CG2 VAL A 92 -3.594 25.984 -5.046 1.00 75.12 C ATOM 0 H VAL A 92 -1.744 26.083 -1.402 1.00 62.21 H new ATOM 0 HA VAL A 92 -4.409 25.497 -2.422 1.00 43.32 H new ATOM 0 HB VAL A 92 -3.113 27.279 -3.402 1.00 51.22 H new ATOM 0 HG11 VAL A 92 -1.034 26.918 -4.712 1.00 5.51 H new ATOM 0 HG12 VAL A 92 -0.828 26.572 -2.978 1.00 5.51 H new ATOM 0 HG13 VAL A 92 -0.988 25.233 -4.139 1.00 5.51 H new ATOM 0 HG21 VAL A 92 -3.227 26.661 -5.817 1.00 75.12 H new ATOM 0 HG22 VAL A 92 -3.413 24.953 -5.352 1.00 75.12 H new ATOM 0 HG23 VAL A 92 -4.664 26.139 -4.907 1.00 75.12 H new ATOM 1453 N LYS A 93 -3.927 22.984 -2.082 1.00 22.55 N ATOM 1454 CA LYS A 93 -3.943 21.504 -2.156 1.00 50.32 C ATOM 1455 C LYS A 93 -5.378 20.977 -1.860 1.00 72.52 C ATOM 1456 O LYS A 93 -6.125 21.639 -1.119 1.00 14.20 O ATOM 1457 CB LYS A 93 -2.916 20.897 -1.138 1.00 54.22 C ATOM 1458 CG LYS A 93 -1.431 21.141 -1.503 1.00 14.34 C ATOM 1459 CD LYS A 93 -0.449 20.442 -0.542 1.00 35.22 C ATOM 1460 CE LYS A 93 1.013 20.490 -1.024 1.00 32.43 C ATOM 1461 NZ LYS A 93 1.596 21.854 -0.988 1.00 24.25 N ATOM 0 H LYS A 93 -4.543 23.348 -1.355 1.00 22.55 H new ATOM 0 HA LYS A 93 -3.654 21.195 -3.161 1.00 50.32 H new ATOM 0 HB2 LYS A 93 -3.109 21.319 -0.152 1.00 54.22 H new ATOM 0 HB3 LYS A 93 -3.087 19.823 -1.065 1.00 54.22 H new ATOM 0 HG2 LYS A 93 -1.250 20.788 -2.518 1.00 14.34 H new ATOM 0 HG3 LYS A 93 -1.233 22.213 -1.498 1.00 14.34 H new ATOM 0 HD2 LYS A 93 -0.516 20.911 0.440 1.00 35.22 H new ATOM 0 HD3 LYS A 93 -0.750 19.402 -0.419 1.00 35.22 H new ATOM 0 HE2 LYS A 93 1.616 19.828 -0.402 1.00 32.43 H new ATOM 0 HE3 LYS A 93 1.066 20.106 -2.043 1.00 32.43 H new ATOM 0 HZ1 LYS A 93 1.981 22.092 -1.924 1.00 24.25 H new ATOM 0 HZ2 LYS A 93 0.858 22.541 -0.733 1.00 24.25 H new ATOM 0 HZ3 LYS A 93 2.358 21.887 -0.281 1.00 24.25 H new ATOM 1475 N PRO A 94 -5.787 19.784 -2.428 1.00 3.30 N ATOM 1476 CA PRO A 94 -7.142 19.191 -2.200 1.00 51.55 C ATOM 1477 C PRO A 94 -7.357 18.736 -0.739 1.00 53.01 C ATOM 1478 O PRO A 94 -6.396 18.445 -0.030 1.00 14.33 O ATOM 1479 CB PRO A 94 -7.167 17.983 -3.172 1.00 13.25 C ATOM 1480 CG PRO A 94 -5.730 17.608 -3.332 1.00 1.24 C ATOM 1481 CD PRO A 94 -4.978 18.922 -3.338 1.00 60.11 C ATOM 0 HA PRO A 94 -7.940 19.912 -2.377 1.00 51.55 H new ATOM 0 HB2 PRO A 94 -7.751 17.157 -2.765 1.00 13.25 H new ATOM 0 HB3 PRO A 94 -7.617 18.251 -4.128 1.00 13.25 H new ATOM 0 HG2 PRO A 94 -5.397 16.967 -2.516 1.00 1.24 H new ATOM 0 HG3 PRO A 94 -5.567 17.056 -4.258 1.00 1.24 H new ATOM 0 HD2 PRO A 94 -3.957 18.803 -2.977 1.00 60.11 H new ATOM 0 HD3 PRO A 94 -4.914 19.344 -4.341 1.00 60.11 H new ATOM 1489 N GLU A 95 -8.624 18.649 -0.310 1.00 3.32 N ATOM 1490 CA GLU A 95 -8.991 18.247 1.069 1.00 72.23 C ATOM 1491 C GLU A 95 -8.994 16.701 1.219 1.00 44.30 C ATOM 1492 O GLU A 95 -10.025 16.086 1.514 1.00 61.32 O ATOM 1493 CB GLU A 95 -10.362 18.887 1.472 1.00 72.45 C ATOM 1494 CG GLU A 95 -11.526 18.611 0.495 1.00 71.30 C ATOM 1495 CD GLU A 95 -12.905 19.081 0.998 1.00 23.54 C ATOM 1496 OE1 GLU A 95 -13.252 20.269 0.805 1.00 11.14 O ATOM 1497 OE2 GLU A 95 -13.649 18.262 1.581 1.00 3.35 O ATOM 0 H GLU A 95 -9.428 18.854 -0.903 1.00 3.32 H new ATOM 0 HA GLU A 95 -8.237 18.625 1.759 1.00 72.23 H new ATOM 0 HB2 GLU A 95 -10.641 18.518 2.459 1.00 72.45 H new ATOM 0 HB3 GLU A 95 -10.230 19.965 1.560 1.00 72.45 H new ATOM 0 HG2 GLU A 95 -11.312 19.103 -0.454 1.00 71.30 H new ATOM 0 HG3 GLU A 95 -11.571 17.540 0.296 1.00 71.30 H new ATOM 1504 N ARG A 96 -7.820 16.079 1.012 1.00 64.14 N ATOM 1505 CA ARG A 96 -7.645 14.617 1.152 1.00 63.52 C ATOM 1506 C ARG A 96 -6.331 14.302 1.881 1.00 45.14 C ATOM 1507 O ARG A 96 -5.471 15.168 2.035 1.00 33.41 O ATOM 1508 CB ARG A 96 -7.650 13.919 -0.243 1.00 24.42 C ATOM 1509 CG ARG A 96 -6.406 14.208 -1.121 1.00 44.05 C ATOM 1510 CD ARG A 96 -6.373 13.373 -2.413 1.00 53.13 C ATOM 1511 NE ARG A 96 -7.427 13.757 -3.375 1.00 22.32 N ATOM 1512 CZ ARG A 96 -8.137 12.903 -4.136 1.00 61.51 C ATOM 1513 NH1 ARG A 96 -7.937 11.591 -4.060 1.00 34.13 N ATOM 1514 NH2 ARG A 96 -9.043 13.377 -4.980 1.00 45.32 N ATOM 0 H ARG A 96 -6.967 16.570 0.744 1.00 64.14 H new ATOM 0 HA ARG A 96 -8.481 14.235 1.737 1.00 63.52 H new ATOM 0 HB2 ARG A 96 -7.729 12.842 -0.094 1.00 24.42 H new ATOM 0 HB3 ARG A 96 -8.541 14.232 -0.787 1.00 24.42 H new ATOM 0 HG2 ARG A 96 -6.389 15.267 -1.379 1.00 44.05 H new ATOM 0 HG3 ARG A 96 -5.505 14.006 -0.542 1.00 44.05 H new ATOM 0 HD2 ARG A 96 -5.398 13.485 -2.887 1.00 53.13 H new ATOM 0 HD3 ARG A 96 -6.485 12.319 -2.161 1.00 53.13 H new ATOM 0 HE ARG A 96 -7.634 14.751 -3.470 1.00 22.32 H new ATOM 0 HH11 ARG A 96 -7.237 11.218 -3.418 1.00 34.13 H new ATOM 0 HH12 ARG A 96 -8.483 10.957 -4.643 1.00 34.13 H new ATOM 0 HH21 ARG A 96 -9.198 14.383 -5.050 1.00 45.32 H new ATOM 0 HH22 ARG A 96 -9.585 12.736 -5.560 1.00 45.32 H new ATOM 1528 N ASP A 97 -6.199 13.049 2.326 1.00 73.11 N ATOM 1529 CA ASP A 97 -4.938 12.494 2.840 1.00 40.55 C ATOM 1530 C ASP A 97 -4.324 11.588 1.768 1.00 14.34 C ATOM 1531 O ASP A 97 -4.949 10.601 1.360 1.00 24.10 O ATOM 1532 CB ASP A 97 -5.176 11.693 4.150 1.00 32.40 C ATOM 1533 CG ASP A 97 -5.546 12.592 5.340 1.00 21.11 C ATOM 1534 OD1 ASP A 97 -4.627 13.098 6.024 1.00 20.41 O ATOM 1535 OD2 ASP A 97 -6.750 12.814 5.593 1.00 65.33 O ATOM 0 H ASP A 97 -6.971 12.383 2.341 1.00 73.11 H new ATOM 0 HA ASP A 97 -4.255 13.311 3.071 1.00 40.55 H new ATOM 0 HB2 ASP A 97 -5.973 10.968 3.987 1.00 32.40 H new ATOM 0 HB3 ASP A 97 -4.276 11.128 4.393 1.00 32.40 H new ATOM 1540 N ASP A 98 -3.113 11.942 1.300 1.00 32.31 N ATOM 1541 CA ASP A 98 -2.351 11.159 0.309 1.00 14.44 C ATOM 1542 C ASP A 98 -0.974 10.792 0.884 1.00 44.23 C ATOM 1543 O ASP A 98 -0.192 11.678 1.267 1.00 23.13 O ATOM 1544 CB ASP A 98 -2.185 11.932 -1.029 1.00 62.53 C ATOM 1545 CG ASP A 98 -1.249 11.212 -2.022 1.00 22.14 C ATOM 1546 OD1 ASP A 98 -1.659 10.194 -2.609 1.00 1.54 O ATOM 1547 OD2 ASP A 98 -0.099 11.675 -2.236 1.00 64.13 O ATOM 0 H ASP A 98 -2.631 12.788 1.602 1.00 32.31 H new ATOM 0 HA ASP A 98 -2.912 10.249 0.096 1.00 14.44 H new ATOM 0 HB2 ASP A 98 -3.164 12.065 -1.490 1.00 62.53 H new ATOM 0 HB3 ASP A 98 -1.792 12.927 -0.822 1.00 62.53 H new ATOM 1552 N THR A 99 -0.683 9.483 0.927 1.00 72.52 N ATOM 1553 CA THR A 99 0.612 8.952 1.353 1.00 14.11 C ATOM 1554 C THR A 99 1.242 8.144 0.215 1.00 14.32 C ATOM 1555 O THR A 99 0.624 7.226 -0.321 1.00 32.32 O ATOM 1556 CB THR A 99 0.491 8.053 2.625 1.00 63.53 C ATOM 1557 OG1 THR A 99 0.083 8.848 3.743 1.00 61.15 O ATOM 1558 CG2 THR A 99 1.815 7.350 2.967 1.00 54.23 C ATOM 0 H THR A 99 -1.351 8.759 0.663 1.00 72.52 H new ATOM 0 HA THR A 99 1.245 9.802 1.606 1.00 14.11 H new ATOM 0 HB THR A 99 -0.253 7.286 2.409 1.00 63.53 H new ATOM 0 HG1 THR A 99 0.875 9.197 4.203 1.00 61.15 H new ATOM 0 HG21 THR A 99 1.682 6.737 3.858 1.00 54.23 H new ATOM 0 HG22 THR A 99 2.117 6.717 2.133 1.00 54.23 H new ATOM 0 HG23 THR A 99 2.586 8.097 3.153 1.00 54.23 H new ATOM 1566 N GLU A 100 2.488 8.479 -0.117 1.00 35.25 N ATOM 1567 CA GLU A 100 3.290 7.741 -1.079 1.00 53.32 C ATOM 1568 C GLU A 100 4.258 6.841 -0.311 1.00 44.42 C ATOM 1569 O GLU A 100 5.074 7.334 0.480 1.00 74.32 O ATOM 1570 CB GLU A 100 4.064 8.722 -1.984 1.00 2.52 C ATOM 1571 CG GLU A 100 5.094 8.062 -2.928 1.00 33.20 C ATOM 1572 CD GLU A 100 5.829 9.082 -3.803 1.00 20.23 C ATOM 1573 OE1 GLU A 100 6.498 9.977 -3.237 1.00 74.01 O ATOM 1574 OE2 GLU A 100 5.722 9.011 -5.048 1.00 75.53 O ATOM 0 H GLU A 100 2.971 9.283 0.283 1.00 35.25 H new ATOM 0 HA GLU A 100 2.648 7.131 -1.714 1.00 53.32 H new ATOM 0 HB2 GLU A 100 3.347 9.281 -2.586 1.00 2.52 H new ATOM 0 HB3 GLU A 100 4.582 9.444 -1.353 1.00 2.52 H new ATOM 0 HG2 GLU A 100 5.821 7.507 -2.335 1.00 33.20 H new ATOM 0 HG3 GLU A 100 4.585 7.340 -3.567 1.00 33.20 H new ATOM 1581 N PHE A 101 4.118 5.526 -0.495 1.00 72.31 N ATOM 1582 CA PHE A 101 5.101 4.552 -0.019 1.00 73.21 C ATOM 1583 C PHE A 101 6.017 4.176 -1.193 1.00 64.32 C ATOM 1584 O PHE A 101 5.549 3.656 -2.216 1.00 3.21 O ATOM 1585 CB PHE A 101 4.401 3.294 0.556 1.00 32.23 C ATOM 1586 CG PHE A 101 3.585 3.539 1.826 1.00 43.52 C ATOM 1587 CD1 PHE A 101 4.222 3.688 3.058 1.00 71.00 C ATOM 1588 CD2 PHE A 101 2.185 3.600 1.792 1.00 33.43 C ATOM 1589 CE1 PHE A 101 3.492 3.891 4.213 1.00 54.35 C ATOM 1590 CE2 PHE A 101 1.457 3.805 2.952 1.00 44.32 C ATOM 1591 CZ PHE A 101 2.112 3.948 4.160 1.00 72.33 C ATOM 0 H PHE A 101 3.322 5.108 -0.977 1.00 72.31 H new ATOM 0 HA PHE A 101 5.691 4.990 0.786 1.00 73.21 H new ATOM 0 HB2 PHE A 101 3.743 2.881 -0.208 1.00 32.23 H new ATOM 0 HB3 PHE A 101 5.158 2.539 0.767 1.00 32.23 H new ATOM 0 HD1 PHE A 101 5.300 3.644 3.110 1.00 71.00 H new ATOM 0 HD2 PHE A 101 1.668 3.486 0.851 1.00 33.43 H new ATOM 0 HE1 PHE A 101 4.000 4.005 5.159 1.00 54.35 H new ATOM 0 HE2 PHE A 101 0.379 3.853 2.912 1.00 44.32 H new ATOM 0 HZ PHE A 101 1.544 4.105 5.065 1.00 72.33 H new ATOM 1601 N GLN A 102 7.318 4.456 -1.038 1.00 60.53 N ATOM 1602 CA GLN A 102 8.348 4.144 -2.050 1.00 73.33 C ATOM 1603 C GLN A 102 9.408 3.228 -1.428 1.00 32.22 C ATOM 1604 O GLN A 102 9.811 3.429 -0.278 1.00 21.24 O ATOM 1605 CB GLN A 102 8.978 5.443 -2.638 1.00 11.34 C ATOM 1606 CG GLN A 102 9.425 6.501 -1.613 1.00 52.12 C ATOM 1607 CD GLN A 102 10.194 7.674 -2.234 1.00 2.14 C ATOM 1608 OE1 GLN A 102 10.073 8.851 -1.643 1.00 32.34 O flip ATOM 1609 NE2 GLN A 102 10.900 7.520 -3.236 1.00 1.31 N flip ATOM 0 H GLN A 102 7.692 4.908 -0.204 1.00 60.53 H new ATOM 0 HA GLN A 102 7.882 3.621 -2.885 1.00 73.33 H new ATOM 0 HB2 GLN A 102 9.842 5.163 -3.241 1.00 11.34 H new ATOM 0 HB3 GLN A 102 8.254 5.902 -3.311 1.00 11.34 H new ATOM 0 HG2 GLN A 102 8.547 6.887 -1.096 1.00 52.12 H new ATOM 0 HG3 GLN A 102 10.053 6.023 -0.861 1.00 52.12 H new ATOM 0 HE21 GLN A 102 10.975 6.600 -3.671 1.00 1.31 H new ATOM 0 HE22 GLN A 102 11.408 8.312 -3.628 1.00 1.31 H new ATOM 1618 N HIS A 103 9.838 2.207 -2.187 1.00 74.51 N ATOM 1619 CA HIS A 103 10.708 1.134 -1.672 1.00 31.34 C ATOM 1620 C HIS A 103 11.639 0.611 -2.793 1.00 13.21 C ATOM 1621 O HIS A 103 11.142 0.247 -3.859 1.00 1.43 O ATOM 1622 CB HIS A 103 9.809 -0.002 -1.127 1.00 62.11 C ATOM 1623 CG HIS A 103 10.535 -1.103 -0.412 1.00 1.34 C ATOM 1624 ND1 HIS A 103 11.176 -2.134 -1.055 1.00 5.02 N ATOM 1625 CD2 HIS A 103 10.715 -1.322 0.902 1.00 0.00 C ATOM 1626 CE1 HIS A 103 11.721 -2.926 -0.152 1.00 50.53 C ATOM 1627 NE2 HIS A 103 11.455 -2.452 1.035 1.00 42.13 N ATOM 0 H HIS A 103 9.594 2.101 -3.172 1.00 74.51 H new ATOM 0 HA HIS A 103 11.341 1.516 -0.871 1.00 31.34 H new ATOM 0 HB2 HIS A 103 9.077 0.431 -0.446 1.00 62.11 H new ATOM 0 HB3 HIS A 103 9.254 -0.435 -1.959 1.00 62.11 H new ATOM 0 HD2 HIS A 103 10.338 -0.709 1.707 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.292 -3.818 -0.360 1.00 50.53 H new ATOM 0 HE2 HIS A 103 11.755 -2.864 1.919 1.00 42.13 H new ATOM 1636 N PRO A 104 12.996 0.522 -2.554 1.00 3.24 N ATOM 1637 CA PRO A 104 13.990 0.164 -3.611 1.00 1.52 C ATOM 1638 C PRO A 104 13.824 -1.281 -4.150 1.00 60.12 C ATOM 1639 O PRO A 104 13.952 -1.514 -5.358 1.00 61.12 O ATOM 1640 CB PRO A 104 15.356 0.361 -2.899 1.00 5.34 C ATOM 1641 CG PRO A 104 15.055 0.191 -1.437 1.00 61.33 C ATOM 1642 CD PRO A 104 13.671 0.773 -1.243 1.00 0.33 C ATOM 0 HA PRO A 104 13.873 0.780 -4.503 1.00 1.52 H new ATOM 0 HB2 PRO A 104 16.089 -0.371 -3.240 1.00 5.34 H new ATOM 0 HB3 PRO A 104 15.771 1.348 -3.105 1.00 5.34 H new ATOM 0 HG2 PRO A 104 15.083 -0.860 -1.149 1.00 61.33 H new ATOM 0 HG3 PRO A 104 15.790 0.710 -0.821 1.00 61.33 H new ATOM 0 HD2 PRO A 104 13.144 0.288 -0.421 1.00 0.33 H new ATOM 0 HD3 PRO A 104 13.713 1.837 -1.011 1.00 0.33 H new ATOM 1650 N CYS A 105 13.509 -2.237 -3.247 1.00 31.13 N ATOM 1651 CA CYS A 105 13.291 -3.659 -3.619 1.00 24.25 C ATOM 1652 C CYS A 105 11.789 -3.927 -3.874 1.00 41.42 C ATOM 1653 O CYS A 105 11.303 -5.033 -3.655 1.00 55.44 O ATOM 1654 CB CYS A 105 13.839 -4.594 -2.509 1.00 61.23 C ATOM 1655 SG CYS A 105 15.541 -4.250 -2.016 1.00 54.04 S ATOM 0 H CYS A 105 13.399 -2.051 -2.250 1.00 31.13 H new ATOM 0 HA CYS A 105 13.833 -3.867 -4.541 1.00 24.25 H new ATOM 0 HB2 CYS A 105 13.196 -4.512 -1.632 1.00 61.23 H new ATOM 0 HB3 CYS A 105 13.776 -5.625 -2.856 1.00 61.23 H new ATOM 0 HG CYS A 105 15.900 -5.083 -1.085 1.00 54.04 H new ATOM 1661 N PHE A 106 11.053 -2.893 -4.318 1.00 14.32 N ATOM 1662 CA PHE A 106 9.640 -3.011 -4.724 1.00 44.51 C ATOM 1663 C PHE A 106 9.446 -2.285 -6.056 1.00 14.53 C ATOM 1664 O PHE A 106 9.596 -1.059 -6.126 1.00 64.14 O ATOM 1665 CB PHE A 106 8.686 -2.416 -3.652 1.00 51.52 C ATOM 1666 CG PHE A 106 7.210 -2.368 -4.070 1.00 55.20 C ATOM 1667 CD1 PHE A 106 6.471 -3.542 -4.214 1.00 22.24 C ATOM 1668 CD2 PHE A 106 6.570 -1.150 -4.345 1.00 22.44 C ATOM 1669 CE1 PHE A 106 5.142 -3.503 -4.608 1.00 54.24 C ATOM 1670 CE2 PHE A 106 5.246 -1.117 -4.736 1.00 64.23 C ATOM 1671 CZ PHE A 106 4.532 -2.293 -4.872 1.00 21.23 C ATOM 0 H PHE A 106 11.423 -1.947 -4.406 1.00 14.32 H new ATOM 0 HA PHE A 106 9.395 -4.068 -4.830 1.00 44.51 H new ATOM 0 HB2 PHE A 106 8.773 -3.005 -2.739 1.00 51.52 H new ATOM 0 HB3 PHE A 106 9.015 -1.405 -3.411 1.00 51.52 H new ATOM 0 HD1 PHE A 106 6.940 -4.494 -4.016 1.00 22.24 H new ATOM 0 HD2 PHE A 106 7.120 -0.226 -4.250 1.00 22.44 H new ATOM 0 HE1 PHE A 106 4.583 -4.421 -4.709 1.00 54.24 H new ATOM 0 HE2 PHE A 106 4.767 -0.170 -4.936 1.00 64.23 H new ATOM 0 HZ PHE A 106 3.499 -2.265 -5.184 1.00 21.23 H new ATOM 1681 N LEU A 107 9.146 -3.049 -7.105 1.00 43.25 N ATOM 1682 CA LEU A 107 8.786 -2.514 -8.425 1.00 63.12 C ATOM 1683 C LEU A 107 7.339 -2.949 -8.759 1.00 42.12 C ATOM 1684 O LEU A 107 6.855 -3.962 -8.228 1.00 53.42 O ATOM 1685 CB LEU A 107 9.800 -3.021 -9.483 1.00 11.20 C ATOM 1686 CG LEU A 107 11.309 -2.770 -9.163 1.00 11.45 C ATOM 1687 CD1 LEU A 107 12.221 -3.445 -10.201 1.00 2.34 C ATOM 1688 CD2 LEU A 107 11.620 -1.264 -9.044 1.00 55.45 C ATOM 0 H LEU A 107 9.145 -4.068 -7.066 1.00 43.25 H new ATOM 0 HA LEU A 107 8.826 -1.425 -8.425 1.00 63.12 H new ATOM 0 HB2 LEU A 107 9.651 -4.093 -9.616 1.00 11.20 H new ATOM 0 HB3 LEU A 107 9.568 -2.546 -10.436 1.00 11.20 H new ATOM 0 HG LEU A 107 11.515 -3.225 -8.194 1.00 11.45 H new ATOM 0 HD11 LEU A 107 13.264 -3.251 -9.950 1.00 2.34 H new ATOM 0 HD12 LEU A 107 12.041 -4.520 -10.199 1.00 2.34 H new ATOM 0 HD13 LEU A 107 12.006 -3.043 -11.191 1.00 2.34 H new ATOM 0 HD21 LEU A 107 12.678 -1.128 -8.821 1.00 55.45 H new ATOM 0 HD22 LEU A 107 11.380 -0.768 -9.984 1.00 55.45 H new ATOM 0 HD23 LEU A 107 11.022 -0.831 -8.242 1.00 55.45 H new ATOM 1700 N ARG A 108 6.686 -2.194 -9.666 1.00 23.21 N ATOM 1701 CA ARG A 108 5.241 -2.329 -9.989 1.00 70.50 C ATOM 1702 C ARG A 108 4.867 -3.740 -10.512 1.00 30.35 C ATOM 1703 O ARG A 108 3.722 -4.179 -10.360 1.00 3.35 O ATOM 1704 CB ARG A 108 4.828 -1.209 -11.012 1.00 70.21 C ATOM 1705 CG ARG A 108 5.482 -1.309 -12.431 1.00 50.13 C ATOM 1706 CD ARG A 108 4.629 -2.108 -13.450 1.00 33.13 C ATOM 1707 NE ARG A 108 5.410 -2.598 -14.598 1.00 15.54 N ATOM 1708 CZ ARG A 108 5.251 -3.801 -15.181 1.00 74.53 C ATOM 1709 NH1 ARG A 108 4.329 -4.663 -14.744 1.00 11.32 N ATOM 1710 NH2 ARG A 108 6.019 -4.142 -16.204 1.00 45.21 N ATOM 0 H ARG A 108 7.149 -1.462 -10.205 1.00 23.21 H new ATOM 0 HA ARG A 108 4.679 -2.201 -9.064 1.00 70.50 H new ATOM 0 HB2 ARG A 108 3.745 -1.232 -11.129 1.00 70.21 H new ATOM 0 HB3 ARG A 108 5.082 -0.240 -10.583 1.00 70.21 H new ATOM 0 HG2 ARG A 108 5.648 -0.303 -12.818 1.00 50.13 H new ATOM 0 HG3 ARG A 108 6.460 -1.781 -12.339 1.00 50.13 H new ATOM 0 HD2 ARG A 108 4.168 -2.956 -12.943 1.00 33.13 H new ATOM 0 HD3 ARG A 108 3.819 -1.475 -13.813 1.00 33.13 H new ATOM 0 HE ARG A 108 6.125 -1.979 -14.980 1.00 15.54 H new ATOM 0 HH11 ARG A 108 3.731 -4.414 -13.956 1.00 11.32 H new ATOM 0 HH12 ARG A 108 4.223 -5.570 -15.198 1.00 11.32 H new ATOM 0 HH21 ARG A 108 6.728 -3.494 -16.548 1.00 45.21 H new ATOM 0 HH22 ARG A 108 5.902 -5.053 -16.648 1.00 45.21 H new ATOM 1724 N GLY A 109 5.839 -4.435 -11.126 1.00 43.12 N ATOM 1725 CA GLY A 109 5.620 -5.761 -11.723 1.00 4.34 C ATOM 1726 C GLY A 109 6.680 -6.768 -11.296 1.00 42.42 C ATOM 1727 O GLY A 109 7.101 -7.611 -12.093 1.00 62.42 O ATOM 0 H GLY A 109 6.795 -4.094 -11.222 1.00 43.12 H new ATOM 0 HA2 GLY A 109 4.635 -6.129 -11.435 1.00 4.34 H new ATOM 0 HA3 GLY A 109 5.622 -5.673 -12.809 1.00 4.34 H new ATOM 1731 N GLN A 110 7.108 -6.689 -10.019 1.00 31.23 N ATOM 1732 CA GLN A 110 8.159 -7.573 -9.463 1.00 74.32 C ATOM 1733 C GLN A 110 7.681 -8.167 -8.113 1.00 11.25 C ATOM 1734 O GLN A 110 8.131 -7.764 -7.034 1.00 74.30 O ATOM 1735 CB GLN A 110 9.523 -6.796 -9.335 1.00 44.52 C ATOM 1736 CG GLN A 110 10.727 -7.419 -10.090 1.00 44.01 C ATOM 1737 CD GLN A 110 10.616 -7.415 -11.624 1.00 41.34 C ATOM 1738 OE1 GLN A 110 11.108 -8.330 -12.292 1.00 70.54 O ATOM 1739 NE2 GLN A 110 10.044 -6.366 -12.205 1.00 24.14 N ATOM 0 H GLN A 110 6.739 -6.016 -9.347 1.00 31.23 H new ATOM 0 HA GLN A 110 8.338 -8.406 -10.143 1.00 74.32 H new ATOM 0 HB2 GLN A 110 9.376 -5.779 -9.700 1.00 44.52 H new ATOM 0 HB3 GLN A 110 9.780 -6.722 -8.278 1.00 44.52 H new ATOM 0 HG2 GLN A 110 11.631 -6.880 -9.806 1.00 44.01 H new ATOM 0 HG3 GLN A 110 10.852 -8.448 -9.754 1.00 44.01 H new ATOM 0 HE21 GLN A 110 9.644 -5.622 -11.634 1.00 24.14 H new ATOM 0 HE22 GLN A 110 10.005 -6.305 -13.222 1.00 24.14 H new ATOM 1748 N GLU A 111 6.711 -9.102 -8.206 1.00 20.23 N ATOM 1749 CA GLU A 111 6.131 -9.826 -7.046 1.00 10.12 C ATOM 1750 C GLU A 111 7.159 -10.700 -6.302 1.00 61.34 C ATOM 1751 O GLU A 111 7.030 -10.924 -5.090 1.00 2.53 O ATOM 1752 CB GLU A 111 4.948 -10.715 -7.512 1.00 31.15 C ATOM 1753 CG GLU A 111 5.312 -11.721 -8.629 1.00 41.32 C ATOM 1754 CD GLU A 111 4.168 -12.680 -8.986 1.00 54.54 C ATOM 1755 OE1 GLU A 111 3.302 -12.311 -9.811 1.00 11.21 O ATOM 1756 OE2 GLU A 111 4.128 -13.810 -8.439 1.00 55.32 O ATOM 0 H GLU A 111 6.302 -9.381 -9.098 1.00 20.23 H new ATOM 0 HA GLU A 111 5.786 -9.064 -6.347 1.00 10.12 H new ATOM 0 HB2 GLU A 111 4.562 -11.266 -6.654 1.00 31.15 H new ATOM 0 HB3 GLU A 111 4.142 -10.072 -7.866 1.00 31.15 H new ATOM 0 HG2 GLU A 111 5.605 -11.169 -9.522 1.00 41.32 H new ATOM 0 HG3 GLU A 111 6.179 -12.303 -8.315 1.00 41.32 H new ATOM 1763 N GLN A 112 8.163 -11.214 -7.040 1.00 50.40 N ATOM 1764 CA GLN A 112 9.217 -12.073 -6.466 1.00 24.43 C ATOM 1765 C GLN A 112 10.104 -11.298 -5.476 1.00 52.12 C ATOM 1766 O GLN A 112 10.832 -11.908 -4.704 1.00 11.24 O ATOM 1767 CB GLN A 112 10.099 -12.741 -7.560 1.00 73.54 C ATOM 1768 CG GLN A 112 11.079 -11.808 -8.325 1.00 15.33 C ATOM 1769 CD GLN A 112 10.484 -11.068 -9.529 1.00 21.12 C ATOM 1770 OE1 GLN A 112 9.289 -10.779 -9.593 1.00 45.32 O ATOM 1771 NE2 GLN A 112 11.330 -10.743 -10.497 1.00 52.11 N ATOM 0 H GLN A 112 8.266 -11.047 -8.041 1.00 50.40 H new ATOM 0 HA GLN A 112 8.699 -12.865 -5.925 1.00 24.43 H new ATOM 0 HB2 GLN A 112 10.680 -13.536 -7.092 1.00 73.54 H new ATOM 0 HB3 GLN A 112 9.440 -13.214 -8.288 1.00 73.54 H new ATOM 0 HG2 GLN A 112 11.471 -11.070 -7.625 1.00 15.33 H new ATOM 0 HG3 GLN A 112 11.925 -12.403 -8.669 1.00 15.33 H new ATOM 0 HE21 GLN A 112 12.315 -10.995 -10.419 1.00 52.11 H new ATOM 0 HE22 GLN A 112 10.995 -10.241 -11.320 1.00 52.11 H new ATOM 1780 N LEU A 113 10.036 -9.949 -5.512 1.00 22.25 N ATOM 1781 CA LEU A 113 10.803 -9.089 -4.598 1.00 5.14 C ATOM 1782 C LEU A 113 10.040 -8.850 -3.277 1.00 75.35 C ATOM 1783 O LEU A 113 10.672 -8.528 -2.276 1.00 4.42 O ATOM 1784 CB LEU A 113 11.171 -7.735 -5.272 1.00 52.15 C ATOM 1785 CG LEU A 113 12.119 -7.802 -6.516 1.00 72.45 C ATOM 1786 CD1 LEU A 113 12.536 -6.380 -6.979 1.00 51.43 C ATOM 1787 CD2 LEU A 113 13.351 -8.692 -6.239 1.00 62.45 C ATOM 0 H LEU A 113 9.452 -9.434 -6.171 1.00 22.25 H new ATOM 0 HA LEU A 113 11.730 -9.612 -4.361 1.00 5.14 H new ATOM 0 HB2 LEU A 113 10.246 -7.244 -5.575 1.00 52.15 H new ATOM 0 HB3 LEU A 113 11.639 -7.098 -4.522 1.00 52.15 H new ATOM 0 HG LEU A 113 11.563 -8.264 -7.332 1.00 72.45 H new ATOM 0 HD11 LEU A 113 13.194 -6.458 -7.844 1.00 51.43 H new ATOM 0 HD12 LEU A 113 11.647 -5.810 -7.249 1.00 51.43 H new ATOM 0 HD13 LEU A 113 13.060 -5.873 -6.169 1.00 51.43 H new ATOM 0 HD21 LEU A 113 13.988 -8.717 -7.123 1.00 62.45 H new ATOM 0 HD22 LEU A 113 13.913 -8.285 -5.398 1.00 62.45 H new ATOM 0 HD23 LEU A 113 13.023 -9.704 -6.000 1.00 62.45 H new ATOM 1799 N LEU A 114 8.689 -9.030 -3.275 1.00 31.34 N ATOM 1800 CA LEU A 114 7.836 -8.850 -2.059 1.00 22.35 C ATOM 1801 C LEU A 114 8.300 -9.765 -0.908 1.00 42.53 C ATOM 1802 O LEU A 114 8.354 -9.354 0.252 1.00 63.25 O ATOM 1803 CB LEU A 114 6.342 -9.144 -2.373 1.00 15.41 C ATOM 1804 CG LEU A 114 5.619 -8.145 -3.321 1.00 3.33 C ATOM 1805 CD1 LEU A 114 4.221 -8.671 -3.699 1.00 62.15 C ATOM 1806 CD2 LEU A 114 5.532 -6.740 -2.681 1.00 23.31 C ATOM 0 H LEU A 114 8.163 -9.301 -4.106 1.00 31.34 H new ATOM 0 HA LEU A 114 7.940 -7.810 -1.750 1.00 22.35 H new ATOM 0 HB2 LEU A 114 6.276 -10.139 -2.813 1.00 15.41 H new ATOM 0 HB3 LEU A 114 5.796 -9.175 -1.430 1.00 15.41 H new ATOM 0 HG LEU A 114 6.205 -8.057 -4.236 1.00 3.33 H new ATOM 0 HD11 LEU A 114 3.731 -7.958 -4.362 1.00 62.15 H new ATOM 0 HD12 LEU A 114 4.318 -9.631 -4.206 1.00 62.15 H new ATOM 0 HD13 LEU A 114 3.623 -8.796 -2.796 1.00 62.15 H new ATOM 0 HD21 LEU A 114 5.022 -6.060 -3.364 1.00 23.31 H new ATOM 0 HD22 LEU A 114 4.975 -6.800 -1.746 1.00 23.31 H new ATOM 0 HD23 LEU A 114 6.537 -6.368 -2.482 1.00 23.31 H new ATOM 1818 N GLU A 115 8.649 -11.005 -1.265 1.00 1.12 N ATOM 1819 CA GLU A 115 9.132 -12.020 -0.311 1.00 32.54 C ATOM 1820 C GLU A 115 10.604 -11.789 0.108 1.00 52.10 C ATOM 1821 O GLU A 115 11.104 -12.456 1.015 1.00 13.13 O ATOM 1822 CB GLU A 115 8.926 -13.432 -0.901 1.00 44.22 C ATOM 1823 CG GLU A 115 9.416 -13.616 -2.344 1.00 14.05 C ATOM 1824 CD GLU A 115 9.202 -15.042 -2.863 1.00 71.21 C ATOM 1825 OE1 GLU A 115 8.078 -15.361 -3.329 1.00 42.11 O ATOM 1826 OE2 GLU A 115 10.140 -15.858 -2.782 1.00 13.24 O ATOM 0 H GLU A 115 8.606 -11.339 -2.228 1.00 1.12 H new ATOM 0 HA GLU A 115 8.543 -11.928 0.601 1.00 32.54 H new ATOM 0 HB2 GLU A 115 9.440 -14.152 -0.265 1.00 44.22 H new ATOM 0 HB3 GLU A 115 7.864 -13.673 -0.862 1.00 44.22 H new ATOM 0 HG2 GLU A 115 8.892 -12.915 -2.994 1.00 14.05 H new ATOM 0 HG3 GLU A 115 10.476 -13.369 -2.398 1.00 14.05 H new ATOM 1833 N ASN A 116 11.282 -10.834 -0.548 1.00 61.12 N ATOM 1834 CA ASN A 116 12.639 -10.375 -0.162 1.00 61.44 C ATOM 1835 C ASN A 116 12.542 -9.041 0.607 1.00 10.22 C ATOM 1836 O ASN A 116 13.535 -8.567 1.165 1.00 74.43 O ATOM 1837 CB ASN A 116 13.544 -10.205 -1.414 1.00 31.24 C ATOM 1838 CG ASN A 116 13.816 -11.526 -2.136 1.00 31.22 C ATOM 1839 OD1 ASN A 116 14.798 -12.218 -1.861 1.00 61.22 O ATOM 1840 ND2 ASN A 116 12.953 -11.887 -3.062 1.00 60.02 N ATOM 0 H ASN A 116 10.908 -10.352 -1.366 1.00 61.12 H new ATOM 0 HA ASN A 116 13.088 -11.130 0.483 1.00 61.44 H new ATOM 0 HB2 ASN A 116 13.070 -9.509 -2.107 1.00 31.24 H new ATOM 0 HB3 ASN A 116 14.492 -9.759 -1.113 1.00 31.24 H new ATOM 0 HD21 ASN A 116 13.088 -12.759 -3.573 1.00 60.02 H new ATOM 0 HD22 ASN A 116 12.149 -11.294 -3.269 1.00 60.02 H new ATOM 1847 N ILE A 117 11.332 -8.443 0.626 1.00 61.23 N ATOM 1848 CA ILE A 117 11.037 -7.240 1.424 1.00 72.53 C ATOM 1849 C ILE A 117 10.762 -7.704 2.865 1.00 61.34 C ATOM 1850 O ILE A 117 9.731 -8.329 3.127 1.00 53.33 O ATOM 1851 CB ILE A 117 9.785 -6.446 0.869 1.00 71.23 C ATOM 1852 CG1 ILE A 117 10.014 -5.973 -0.596 1.00 24.33 C ATOM 1853 CG2 ILE A 117 9.431 -5.244 1.775 1.00 52.12 C ATOM 1854 CD1 ILE A 117 8.828 -5.254 -1.226 1.00 41.23 C ATOM 0 H ILE A 117 10.535 -8.782 0.088 1.00 61.23 H new ATOM 0 HA ILE A 117 11.887 -6.559 1.375 1.00 72.53 H new ATOM 0 HB ILE A 117 8.941 -7.136 0.875 1.00 71.23 H new ATOM 0 HG12 ILE A 117 10.878 -5.308 -0.618 1.00 24.33 H new ATOM 0 HG13 ILE A 117 10.263 -6.840 -1.208 1.00 24.33 H new ATOM 0 HG21 ILE A 117 8.567 -4.721 1.365 1.00 52.12 H new ATOM 0 HG22 ILE A 117 9.197 -5.601 2.778 1.00 52.12 H new ATOM 0 HG23 ILE A 117 10.280 -4.561 1.822 1.00 52.12 H new ATOM 0 HD11 ILE A 117 9.079 -4.962 -2.246 1.00 41.23 H new ATOM 0 HD12 ILE A 117 7.965 -5.920 -1.242 1.00 41.23 H new ATOM 0 HD13 ILE A 117 8.589 -4.365 -0.642 1.00 41.23 H new ATOM 1866 N LYS A 118 11.686 -7.416 3.792 1.00 25.14 N ATOM 1867 CA LYS A 118 11.632 -7.940 5.169 1.00 73.11 C ATOM 1868 C LYS A 118 11.276 -6.799 6.122 1.00 34.25 C ATOM 1869 O LYS A 118 11.712 -5.659 5.924 1.00 62.03 O ATOM 1870 CB LYS A 118 12.992 -8.589 5.566 1.00 13.34 C ATOM 1871 CG LYS A 118 13.453 -9.812 4.719 1.00 21.25 C ATOM 1872 CD LYS A 118 12.604 -11.110 4.924 1.00 53.11 C ATOM 1873 CE LYS A 118 11.327 -11.173 4.067 1.00 74.40 C ATOM 1874 NZ LYS A 118 10.530 -12.406 4.316 1.00 15.53 N ATOM 0 H LYS A 118 12.491 -6.815 3.612 1.00 25.14 H new ATOM 0 HA LYS A 118 10.868 -8.714 5.232 1.00 73.11 H new ATOM 0 HB2 LYS A 118 13.765 -7.823 5.508 1.00 13.34 H new ATOM 0 HB3 LYS A 118 12.930 -8.900 6.609 1.00 13.34 H new ATOM 0 HG2 LYS A 118 13.423 -9.538 3.664 1.00 21.25 H new ATOM 0 HG3 LYS A 118 14.493 -10.033 4.961 1.00 21.25 H new ATOM 0 HD2 LYS A 118 13.225 -11.976 4.695 1.00 53.11 H new ATOM 0 HD3 LYS A 118 12.326 -11.186 5.975 1.00 53.11 H new ATOM 0 HE2 LYS A 118 10.711 -10.298 4.275 1.00 74.40 H new ATOM 0 HE3 LYS A 118 11.599 -11.128 3.012 1.00 74.40 H new ATOM 0 HZ1 LYS A 118 9.682 -12.398 3.714 1.00 15.53 H new ATOM 0 HZ2 LYS A 118 11.106 -13.243 4.092 1.00 15.53 H new ATOM 0 HZ3 LYS A 118 10.245 -12.439 5.316 1.00 15.53 H new ATOM 1888 N ARG A 119 10.493 -7.125 7.160 1.00 14.23 N ATOM 1889 CA ARG A 119 10.069 -6.151 8.177 1.00 54.04 C ATOM 1890 C ARG A 119 10.978 -6.221 9.410 1.00 4.00 C ATOM 1891 O ARG A 119 10.768 -5.491 10.377 1.00 25.10 O ATOM 1892 CB ARG A 119 8.568 -6.323 8.544 1.00 63.32 C ATOM 1893 CG ARG A 119 8.154 -7.699 9.104 1.00 10.22 C ATOM 1894 CD ARG A 119 6.648 -7.743 9.443 1.00 34.41 C ATOM 1895 NE ARG A 119 6.227 -9.041 9.993 1.00 3.14 N ATOM 1896 CZ ARG A 119 5.731 -10.059 9.283 1.00 34.33 C ATOM 1897 NH1 ARG A 119 5.594 -9.982 7.963 1.00 42.13 N ATOM 1898 NH2 ARG A 119 5.347 -11.162 9.905 1.00 11.12 N ATOM 0 H ARG A 119 10.137 -8.067 7.318 1.00 14.23 H new ATOM 0 HA ARG A 119 10.172 -5.153 7.752 1.00 54.04 H new ATOM 0 HB2 ARG A 119 8.306 -5.562 9.279 1.00 63.32 H new ATOM 0 HB3 ARG A 119 7.973 -6.123 7.653 1.00 63.32 H new ATOM 0 HG2 ARG A 119 8.386 -8.475 8.374 1.00 10.22 H new ATOM 0 HG3 ARG A 119 8.736 -7.919 9.999 1.00 10.22 H new ATOM 0 HD2 ARG A 119 6.419 -6.957 10.162 1.00 34.41 H new ATOM 0 HD3 ARG A 119 6.071 -7.530 8.543 1.00 34.41 H new ATOM 0 HE ARG A 119 6.321 -9.175 11.000 1.00 3.14 H new ATOM 0 HH11 ARG A 119 5.870 -9.133 7.470 1.00 42.13 H new ATOM 0 HH12 ARG A 119 5.213 -10.772 7.443 1.00 42.13 H new ATOM 0 HH21 ARG A 119 5.431 -11.231 10.919 1.00 11.12 H new ATOM 0 HH22 ARG A 119 4.967 -11.943 9.370 1.00 11.12 H new ATOM 1912 N LYS A 120 12.007 -7.089 9.348 1.00 53.21 N ATOM 1913 CA LYS A 120 13.007 -7.248 10.417 1.00 15.34 C ATOM 1914 C LYS A 120 14.308 -6.500 10.054 1.00 1.21 C ATOM 1915 O LYS A 120 14.423 -5.955 8.947 1.00 4.01 O ATOM 1916 CB LYS A 120 13.279 -8.757 10.673 1.00 51.02 C ATOM 1917 CG LYS A 120 12.022 -9.584 11.056 1.00 71.35 C ATOM 1918 CD LYS A 120 11.240 -9.007 12.271 1.00 22.04 C ATOM 1919 CE LYS A 120 12.079 -8.900 13.567 1.00 61.33 C ATOM 1920 NZ LYS A 120 12.580 -10.219 14.031 1.00 3.52 N ATOM 0 H LYS A 120 12.167 -7.702 8.549 1.00 53.21 H new ATOM 0 HA LYS A 120 12.616 -6.811 11.336 1.00 15.34 H new ATOM 0 HB2 LYS A 120 13.723 -9.190 9.777 1.00 51.02 H new ATOM 0 HB3 LYS A 120 14.016 -8.850 11.471 1.00 51.02 H new ATOM 0 HG2 LYS A 120 11.354 -9.633 10.196 1.00 71.35 H new ATOM 0 HG3 LYS A 120 12.326 -10.606 11.283 1.00 71.35 H new ATOM 0 HD2 LYS A 120 10.864 -8.017 12.011 1.00 22.04 H new ATOM 0 HD3 LYS A 120 10.372 -9.637 12.464 1.00 22.04 H new ATOM 0 HE2 LYS A 120 12.925 -8.234 13.395 1.00 61.33 H new ATOM 0 HE3 LYS A 120 11.473 -8.449 14.352 1.00 61.33 H new ATOM 0 HZ1 LYS A 120 13.135 -10.093 14.901 1.00 3.52 H new ATOM 0 HZ2 LYS A 120 11.775 -10.848 14.222 1.00 3.52 H new ATOM 0 HZ3 LYS A 120 13.181 -10.641 13.295 1.00 3.52 H new ATOM 1934 N VAL A 121 15.300 -6.491 10.980 1.00 64.12 N ATOM 1935 CA VAL A 121 16.553 -5.721 10.817 1.00 21.14 C ATOM 1936 C VAL A 121 17.619 -6.546 10.053 1.00 14.23 C ATOM 1937 O VAL A 121 18.635 -7.003 10.591 1.00 62.24 O ATOM 1938 CB VAL A 121 17.086 -5.148 12.199 1.00 35.42 C ATOM 1939 CG1 VAL A 121 16.070 -4.140 12.800 1.00 22.41 C ATOM 1940 CG2 VAL A 121 17.413 -6.262 13.226 1.00 44.04 C ATOM 0 H VAL A 121 15.252 -7.015 11.854 1.00 64.12 H new ATOM 0 HA VAL A 121 16.330 -4.849 10.203 1.00 21.14 H new ATOM 0 HB VAL A 121 18.021 -4.632 11.983 1.00 35.42 H new ATOM 0 HG11 VAL A 121 16.453 -3.758 13.747 1.00 22.41 H new ATOM 0 HG12 VAL A 121 15.926 -3.312 12.106 1.00 22.41 H new ATOM 0 HG13 VAL A 121 15.117 -4.641 12.970 1.00 22.41 H new ATOM 0 HG21 VAL A 121 17.773 -5.810 14.151 1.00 44.04 H new ATOM 0 HG22 VAL A 121 16.514 -6.843 13.432 1.00 44.04 H new ATOM 0 HG23 VAL A 121 18.183 -6.917 12.819 1.00 44.04 H new ATOM 1950 N THR A 122 17.323 -6.750 8.768 1.00 41.30 N ATOM 1951 CA THR A 122 18.245 -7.353 7.786 1.00 11.05 C ATOM 1952 C THR A 122 19.304 -6.299 7.340 1.00 24.33 C ATOM 1953 O THR A 122 19.420 -5.240 7.981 1.00 63.22 O ATOM 1954 CB THR A 122 17.412 -7.923 6.579 1.00 64.12 C ATOM 1955 OG1 THR A 122 18.264 -8.610 5.654 1.00 43.22 O ATOM 1956 CG2 THR A 122 16.613 -6.829 5.841 1.00 64.31 C ATOM 0 H THR A 122 16.420 -6.498 8.367 1.00 41.30 H new ATOM 0 HA THR A 122 18.791 -8.184 8.232 1.00 11.05 H new ATOM 0 HB THR A 122 16.693 -8.625 7.002 1.00 64.12 H new ATOM 0 HG1 THR A 122 17.727 -8.958 4.912 1.00 43.22 H new ATOM 0 HG21 THR A 122 16.057 -7.277 5.018 1.00 64.31 H new ATOM 0 HG22 THR A 122 15.917 -6.357 6.534 1.00 64.31 H new ATOM 0 HG23 THR A 122 17.300 -6.079 5.449 1.00 64.31 H new ATOM 1964 N SER A 123 20.094 -6.586 6.280 1.00 21.11 N ATOM 1965 CA SER A 123 21.127 -5.648 5.779 1.00 63.33 C ATOM 1966 C SER A 123 20.485 -4.464 5.003 1.00 74.44 C ATOM 1967 O SER A 123 20.526 -4.397 3.772 1.00 13.21 O ATOM 1968 CB SER A 123 22.190 -6.407 4.935 1.00 32.15 C ATOM 1969 OG SER A 123 21.593 -7.244 3.952 1.00 4.43 O ATOM 0 H SER A 123 20.036 -7.459 5.755 1.00 21.11 H new ATOM 0 HA SER A 123 21.644 -5.212 6.634 1.00 63.33 H new ATOM 0 HB2 SER A 123 22.847 -5.687 4.447 1.00 32.15 H new ATOM 0 HB3 SER A 123 22.813 -7.011 5.595 1.00 32.15 H new ATOM 0 HG SER A 123 20.933 -6.730 3.441 1.00 4.43 H new ATOM 1975 N VAL A 124 19.852 -3.553 5.773 1.00 14.22 N ATOM 1976 CA VAL A 124 19.174 -2.335 5.275 1.00 25.02 C ATOM 1977 C VAL A 124 19.480 -1.168 6.240 1.00 72.25 C ATOM 1978 O VAL A 124 19.840 -1.402 7.402 1.00 61.44 O ATOM 1979 CB VAL A 124 17.602 -2.523 5.153 1.00 52.11 C ATOM 1980 CG1 VAL A 124 17.226 -3.503 4.014 1.00 65.21 C ATOM 1981 CG2 VAL A 124 16.982 -2.975 6.504 1.00 12.43 C ATOM 0 H VAL A 124 19.797 -3.647 6.787 1.00 14.22 H new ATOM 0 HA VAL A 124 19.552 -2.125 4.274 1.00 25.02 H new ATOM 0 HB VAL A 124 17.181 -1.550 4.898 1.00 52.11 H new ATOM 0 HG11 VAL A 124 16.142 -3.604 3.964 1.00 65.21 H new ATOM 0 HG12 VAL A 124 17.599 -3.118 3.065 1.00 65.21 H new ATOM 0 HG13 VAL A 124 17.672 -4.478 4.211 1.00 65.21 H new ATOM 0 HG21 VAL A 124 15.905 -3.095 6.388 1.00 12.43 H new ATOM 0 HG22 VAL A 124 17.422 -3.925 6.807 1.00 12.43 H new ATOM 0 HG23 VAL A 124 17.183 -2.222 7.266 1.00 12.43 H new ATOM 1991 N SER A 125 19.366 0.074 5.750 1.00 12.23 N ATOM 1992 CA SER A 125 19.537 1.280 6.576 1.00 65.54 C ATOM 1993 C SER A 125 18.149 1.708 7.129 1.00 2.30 C ATOM 1994 O SER A 125 17.795 1.291 8.257 1.00 72.31 O ATOM 1995 CB SER A 125 20.205 2.404 5.745 1.00 13.22 C ATOM 1996 OG SER A 125 21.489 2.011 5.296 1.00 33.44 O ATOM 1997 OXT SER A 125 17.408 2.436 6.429 1.00 37.70 O ATOM 0 H SER A 125 19.153 0.272 4.772 1.00 12.23 H new ATOM 0 HA SER A 125 20.195 1.074 7.420 1.00 65.54 H new ATOM 0 HB2 SER A 125 19.577 2.650 4.889 1.00 13.22 H new ATOM 0 HB3 SER A 125 20.288 3.307 6.350 1.00 13.22 H new ATOM 0 HG SER A 125 21.889 2.737 4.773 1.00 33.44 H new TER 2003 SER A 125