USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 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 22 SER OG : rot 101:sc= 1.05 USER MOD Set 1.2: A 121 THR OG1 : rot -157:sc= 1.13 USER MOD Set 2.1: A 103 SER OG : rot 83:sc= 1.15 USER MOD Set 2.2: A 118 THR OG1 : rot 180:sc= 1.12 USER MOD Set 3.1: A 19 TYR OH : rot 40:sc= 1.68 USER MOD Set 3.2: A 102 THR OG1 : rot 106:sc= 1.27 USER MOD Set 4.1: A 98 ASN : amide:sc= 1.26 K(o=0.36,f=-8.4!) USER MOD Set 4.2: A 100 GLN : amide:sc= 0.182 K(o=0.36,f=-3.7!) USER MOD Set 4.3: A 119 HIS : +bothHN:sc= -1.08 K(o=0.36,f=-7.2!) USER MOD Set 5.1: A 93 HIS : no HD1:sc= -0.0289 K(o=2.2,f=-5.8!) USER MOD Set 5.2: A 95 GLN : amide:sc= 2.24 K(o=2.2,f=-11!) USER MOD Set 6.1: A 73 THR OG1 : rot 78:sc= 1.22 USER MOD Set 6.2: A 79 LYS NZ :NH3+ 156:sc= 1.02 (180deg=0.253) USER MOD Set 7.1: A 45 ASN : amide:sc= 0.753 K(o=3,f=0.94) USER MOD Set 7.2: A 48 THR OG1 : rot -106:sc= 2.23 USER MOD Set 8.1: A 40 THR OG1 : rot 142:sc= 2.24 USER MOD Set 8.2: A 128 TYR OH : rot 180:sc= 0.691 USER MOD Single : A 1 VAL N :NH3+ -176:sc= -0.216 (180deg=-0.277) USER MOD Single : A 7 THR OG1 : rot 134:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= 0.596 (180deg=-0.391) USER MOD Single : A 13 SER OG : rot -53:sc= 0.0126 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.06 K(o=1.1,f=-0.4) USER MOD Single : A 20 MET CE :methyl 169:sc= 0 (180deg=-0.231) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -109:sc= 0.817 USER MOD Single : A 31 GLN : amide:sc= -0.0835 K(o=-0.083,f=-0.66) USER MOD Single : A 34 ASN : amide:sc= -0.535 K(o=-0.54,f=-4.1!) USER MOD Single : A 35 MET CE :methyl -172:sc= 0 (180deg=-0.0521) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00127) USER MOD Single : A 39 THR OG1 : rot 67:sc= 0.0308 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 1.17 (180deg=1.08) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.706 K(o=0.71,f=-0.019) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 56 THR OG1 : rot -130:sc=-0.00256 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.25 K(o=-0.25,f=-0.78) USER MOD Single : A 60 THR OG1 : rot 159:sc= 1.37 USER MOD Single : A 63 SER OG : rot 38:sc= 0.494 USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 1.24 (180deg=1.09) USER MOD Single : A 74 THR OG1 : rot -111:sc= 1.25 USER MOD Single : A 81 LYS NZ :NH3+ -104:sc= 0.432 (180deg=-4.54!) USER MOD Single : A 82 SER OG : rot 143:sc= 1.56 USER MOD Single : A 85 THR OG1 : rot 28:sc= 0.317 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl -162:sc= -0.0922 (180deg=-0.155) USER MOD Single : A 112 LYS NZ :NH3+ -97:sc= 1.06 (180deg=-0.654) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot -109:sc= -1.89! USER MOD Single : A 125 THR OG1 : rot 31:sc= -0.228 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 2.48 (180deg=2.24) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.618 F(o=-1.3,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.696 -12.992 -3.884 1.00 0.00 N ATOM 2 CA VAL A 1 9.685 -11.977 -2.842 1.00 0.00 C ATOM 3 C VAL A 1 11.036 -11.254 -2.753 1.00 0.00 C ATOM 4 O VAL A 1 11.076 -10.049 -2.484 1.00 0.00 O ATOM 5 CB VAL A 1 9.223 -12.599 -1.509 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.147 -13.705 -0.983 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.034 -11.533 -0.422 1.00 0.00 C ATOM 0 H1 VAL A 1 8.750 -13.416 -3.966 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.959 -12.556 -4.791 1.00 0.00 H new ATOM 0 H3 VAL A 1 10.387 -13.731 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 1 8.962 -11.202 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 1 8.264 -13.064 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.754 -14.091 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.200 -14.513 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.145 -13.298 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.708 -12.010 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.979 -11.017 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.281 -10.814 -0.744 1.00 0.00 H new ATOM 19 N ASP A 2 12.123 -11.998 -2.992 1.00 0.00 N ATOM 20 CA ASP A 2 13.532 -11.669 -2.791 1.00 0.00 C ATOM 21 C ASP A 2 14.015 -10.585 -3.761 1.00 0.00 C ATOM 22 O ASP A 2 14.925 -10.783 -4.564 1.00 0.00 O ATOM 23 CB ASP A 2 14.366 -12.955 -2.953 1.00 0.00 C ATOM 24 CG ASP A 2 13.759 -14.155 -2.239 1.00 0.00 C ATOM 25 OD1 ASP A 2 12.680 -14.579 -2.717 1.00 0.00 O ATOM 26 OD2 ASP A 2 14.353 -14.594 -1.234 1.00 0.00 O ATOM 0 H ASP A 2 12.022 -12.940 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 2 13.656 -11.265 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.467 -13.184 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.370 -12.780 -2.567 1.00 0.00 H new ATOM 31 N ALA A 3 13.387 -9.418 -3.678 1.00 0.00 N ATOM 32 CA ALA A 3 13.560 -8.288 -4.570 1.00 0.00 C ATOM 33 C ALA A 3 12.785 -7.113 -3.987 1.00 0.00 C ATOM 34 O ALA A 3 13.320 -6.007 -3.890 1.00 0.00 O ATOM 35 CB ALA A 3 13.038 -8.626 -5.972 1.00 0.00 C ATOM 0 H ALA A 3 12.706 -9.229 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 3 14.617 -8.039 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.176 -7.767 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.589 -9.478 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.978 -8.873 -5.916 1.00 0.00 H new ATOM 41 N PHE A 4 11.534 -7.369 -3.585 1.00 0.00 N ATOM 42 CA PHE A 4 10.608 -6.372 -3.070 1.00 0.00 C ATOM 43 C PHE A 4 11.173 -5.671 -1.838 1.00 0.00 C ATOM 44 O PHE A 4 10.963 -4.476 -1.669 1.00 0.00 O ATOM 45 CB PHE A 4 9.257 -7.034 -2.761 1.00 0.00 C ATOM 46 CG PHE A 4 8.582 -7.759 -3.915 1.00 0.00 C ATOM 47 CD1 PHE A 4 8.733 -7.319 -5.246 1.00 0.00 C ATOM 48 CD2 PHE A 4 7.765 -8.872 -3.648 1.00 0.00 C ATOM 49 CE1 PHE A 4 8.130 -8.025 -6.299 1.00 0.00 C ATOM 50 CE2 PHE A 4 7.189 -9.597 -4.704 1.00 0.00 C ATOM 51 CZ PHE A 4 7.373 -9.175 -6.030 1.00 0.00 C ATOM 0 H PHE A 4 11.133 -8.307 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 4 10.460 -5.607 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.403 -7.746 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.576 -6.266 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.316 -6.434 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.580 -9.170 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.249 -7.683 -7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.604 -10.480 -4.495 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.933 -9.735 -6.842 1.00 0.00 H new ATOM 61 N VAL A 5 11.891 -6.408 -0.991 1.00 0.00 N ATOM 62 CA VAL A 5 12.523 -5.887 0.211 1.00 0.00 C ATOM 63 C VAL A 5 13.381 -4.641 -0.088 1.00 0.00 C ATOM 64 O VAL A 5 14.473 -4.754 -0.648 1.00 0.00 O ATOM 65 CB VAL A 5 13.286 -7.040 0.900 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.394 -7.681 0.055 1.00 0.00 C ATOM 67 CG2 VAL A 5 13.898 -6.596 2.230 1.00 0.00 C ATOM 0 H VAL A 5 12.050 -7.406 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 5 11.771 -5.525 0.912 1.00 0.00 H new ATOM 0 HB VAL A 5 12.517 -7.797 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.870 -8.479 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.963 -8.094 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.137 -6.926 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.426 -7.434 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.597 -5.778 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.107 -6.259 2.900 1.00 0.00 H new ATOM 77 N GLY A 6 12.893 -3.447 0.259 1.00 0.00 N ATOM 78 CA GLY A 6 13.639 -2.197 0.249 1.00 0.00 C ATOM 79 C GLY A 6 12.765 -0.970 -0.037 1.00 0.00 C ATOM 80 O GLY A 6 11.544 -1.058 -0.183 1.00 0.00 O ATOM 0 H GLY A 6 11.928 -3.326 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.130 -2.068 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.425 -2.257 -0.503 1.00 0.00 H new ATOM 84 N THR A 7 13.424 0.189 -0.111 1.00 0.00 N ATOM 85 CA THR A 7 12.831 1.502 -0.315 1.00 0.00 C ATOM 86 C THR A 7 12.630 1.790 -1.806 1.00 0.00 C ATOM 87 O THR A 7 13.606 2.069 -2.517 1.00 0.00 O ATOM 88 CB THR A 7 13.770 2.545 0.317 1.00 0.00 C ATOM 89 OG1 THR A 7 14.390 2.002 1.464 1.00 0.00 O ATOM 90 CG2 THR A 7 13.045 3.834 0.699 1.00 0.00 C ATOM 0 H THR A 7 14.439 0.233 -0.025 1.00 0.00 H new ATOM 0 HA THR A 7 11.848 1.543 0.154 1.00 0.00 H new ATOM 0 HB THR A 7 14.516 2.797 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.349 2.202 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.755 4.534 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.602 4.280 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.260 3.610 1.422 1.00 0.00 H new ATOM 98 N TRP A 8 11.379 1.786 -2.272 1.00 0.00 N ATOM 99 CA TRP A 8 11.012 2.151 -3.634 1.00 0.00 C ATOM 100 C TRP A 8 10.553 3.603 -3.708 1.00 0.00 C ATOM 101 O TRP A 8 10.133 4.186 -2.710 1.00 0.00 O ATOM 102 CB TRP A 8 9.911 1.223 -4.145 1.00 0.00 C ATOM 103 CG TRP A 8 10.255 -0.225 -4.105 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.084 -1.046 -3.047 1.00 0.00 C ATOM 105 CD2 TRP A 8 10.909 -1.020 -5.134 1.00 0.00 C ATOM 106 NE1 TRP A 8 10.583 -2.292 -3.351 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.130 -2.327 -4.615 1.00 0.00 C ATOM 108 CE3 TRP A 8 11.359 -0.761 -6.446 1.00 0.00 C ATOM 109 CZ2 TRP A 8 11.789 -3.318 -5.350 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.034 -1.747 -7.188 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.271 -3.014 -6.630 1.00 0.00 C ATOM 0 H TRP A 8 10.579 1.523 -1.697 1.00 0.00 H new ATOM 0 HA TRP A 8 11.894 2.043 -4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.011 1.386 -3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.669 1.498 -5.172 1.00 0.00 H new ATOM 0 HD1 TRP A 8 9.627 -0.768 -2.109 1.00 0.00 H new ATOM 0 HE1 TRP A 8 10.552 -3.091 -2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.182 0.209 -6.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 11.925 -4.306 -4.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.371 -1.529 -8.191 1.00 0.00 H new ATOM 0 HH2 TRP A 8 12.825 -3.754 -7.188 1.00 0.00 H new ATOM 122 N LYS A 9 10.668 4.196 -4.894 1.00 0.00 N ATOM 123 CA LYS A 9 10.190 5.521 -5.238 1.00 0.00 C ATOM 124 C LYS A 9 9.270 5.352 -6.436 1.00 0.00 C ATOM 125 O LYS A 9 9.663 4.708 -7.405 1.00 0.00 O ATOM 126 CB LYS A 9 11.377 6.400 -5.636 1.00 0.00 C ATOM 127 CG LYS A 9 11.002 7.885 -5.652 1.00 0.00 C ATOM 128 CD LYS A 9 11.925 8.717 -6.557 1.00 0.00 C ATOM 129 CE LYS A 9 13.418 8.653 -6.188 1.00 0.00 C ATOM 130 NZ LYS A 9 14.079 7.422 -6.670 1.00 0.00 N ATOM 0 H LYS A 9 11.124 3.734 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 9 9.673 5.987 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.199 6.240 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.734 6.104 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.972 7.992 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.045 8.278 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.804 8.378 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.601 9.757 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.928 9.521 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.522 8.715 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.103 7.587 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.906 6.648 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.695 7.163 -7.601 1.00 0.00 H new ATOM 144 N LEU A 10 8.068 5.909 -6.386 1.00 0.00 N ATOM 145 CA LEU A 10 7.190 5.950 -7.540 1.00 0.00 C ATOM 146 C LEU A 10 7.647 7.099 -8.443 1.00 0.00 C ATOM 147 O LEU A 10 7.879 8.196 -7.939 1.00 0.00 O ATOM 148 CB LEU A 10 5.762 6.131 -7.022 1.00 0.00 C ATOM 149 CG LEU A 10 4.711 6.326 -8.108 1.00 0.00 C ATOM 150 CD1 LEU A 10 4.722 5.162 -9.094 1.00 0.00 C ATOM 151 CD2 LEU A 10 3.336 6.427 -7.440 1.00 0.00 C ATOM 0 H LEU A 10 7.679 6.342 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 10 7.222 5.036 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.492 5.258 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.739 6.992 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 10 4.933 7.238 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.963 5.326 -9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.703 5.093 -9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.508 4.234 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.570 6.567 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.133 5.511 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.325 7.275 -6.755 1.00 0.00 H new ATOM 163 N VAL A 11 7.809 6.857 -9.751 1.00 0.00 N ATOM 164 CA VAL A 11 8.087 7.922 -10.716 1.00 0.00 C ATOM 165 C VAL A 11 6.812 8.318 -11.472 1.00 0.00 C ATOM 166 O VAL A 11 6.576 9.510 -11.660 1.00 0.00 O ATOM 167 CB VAL A 11 9.278 7.556 -11.628 1.00 0.00 C ATOM 168 CG1 VAL A 11 8.936 6.591 -12.768 1.00 0.00 C ATOM 169 CG2 VAL A 11 9.885 8.824 -12.238 1.00 0.00 C ATOM 0 H VAL A 11 7.751 5.926 -10.164 1.00 0.00 H new ATOM 0 HA VAL A 11 8.403 8.816 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 11 9.985 7.042 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.832 6.390 -13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.558 5.657 -12.353 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.175 7.038 -13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.724 8.554 -12.879 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.129 9.342 -12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.234 9.480 -11.441 1.00 0.00 H new ATOM 179 N ASP A 12 6.015 7.319 -11.884 1.00 0.00 N ATOM 180 CA ASP A 12 4.826 7.435 -12.733 1.00 0.00 C ATOM 181 C ASP A 12 5.178 7.876 -14.150 1.00 0.00 C ATOM 182 O ASP A 12 6.154 8.588 -14.375 1.00 0.00 O ATOM 183 CB ASP A 12 3.742 8.367 -12.164 1.00 0.00 C ATOM 184 CG ASP A 12 3.047 7.791 -10.950 1.00 0.00 C ATOM 185 OD1 ASP A 12 2.379 6.751 -11.134 1.00 0.00 O ATOM 186 OD2 ASP A 12 3.176 8.412 -9.877 1.00 0.00 O ATOM 0 H ASP A 12 6.197 6.352 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 12 4.409 6.428 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.195 9.322 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.002 8.570 -12.938 1.00 0.00 H new ATOM 191 N SER A 13 4.349 7.465 -15.115 1.00 0.00 N ATOM 192 CA SER A 13 4.327 8.064 -16.448 1.00 0.00 C ATOM 193 C SER A 13 3.085 7.635 -17.242 1.00 0.00 C ATOM 194 O SER A 13 3.145 7.520 -18.464 1.00 0.00 O ATOM 195 CB SER A 13 5.621 7.735 -17.221 1.00 0.00 C ATOM 196 OG SER A 13 5.868 8.710 -18.216 1.00 0.00 O ATOM 0 H SER A 13 3.676 6.708 -14.992 1.00 0.00 H new ATOM 0 HA SER A 13 4.273 9.145 -16.321 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.463 7.691 -16.530 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.536 6.751 -17.682 1.00 0.00 H new ATOM 0 HG SER A 13 5.075 8.806 -18.784 1.00 0.00 H new ATOM 202 N LYS A 14 1.957 7.359 -16.572 1.00 0.00 N ATOM 203 CA LYS A 14 0.773 6.851 -17.254 1.00 0.00 C ATOM 204 C LYS A 14 -0.454 6.925 -16.343 1.00 0.00 C ATOM 205 O LYS A 14 -0.817 5.943 -15.689 1.00 0.00 O ATOM 206 CB LYS A 14 1.028 5.419 -17.743 1.00 0.00 C ATOM 207 CG LYS A 14 -0.009 4.920 -18.757 1.00 0.00 C ATOM 208 CD LYS A 14 0.538 3.636 -19.395 1.00 0.00 C ATOM 209 CE LYS A 14 -0.511 2.934 -20.265 1.00 0.00 C ATOM 210 NZ LYS A 14 0.021 1.689 -20.859 1.00 0.00 N ATOM 0 H LYS A 14 1.846 7.480 -15.565 1.00 0.00 H new ATOM 0 HA LYS A 14 0.567 7.477 -18.123 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.018 5.370 -18.196 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.036 4.747 -16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.962 4.726 -18.265 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.193 5.677 -19.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.410 3.876 -20.003 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.873 2.956 -18.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.390 2.704 -19.662 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.836 3.607 -21.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.715 1.240 -21.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.845 1.912 -21.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.308 1.038 -20.101 1.00 0.00 H new ATOM 224 N ASN A 15 -1.122 8.080 -16.370 1.00 0.00 N ATOM 225 CA ASN A 15 -2.493 8.251 -15.903 1.00 0.00 C ATOM 226 C ASN A 15 -2.596 7.963 -14.400 1.00 0.00 C ATOM 227 O ASN A 15 -3.424 7.170 -13.953 1.00 0.00 O ATOM 228 CB ASN A 15 -3.447 7.371 -16.733 1.00 0.00 C ATOM 229 CG ASN A 15 -3.273 7.475 -18.246 1.00 0.00 C ATOM 230 OD1 ASN A 15 -2.762 8.461 -18.765 1.00 0.00 O ATOM 231 ND2 ASN A 15 -3.675 6.434 -18.972 1.00 0.00 N ATOM 0 H ASN A 15 -0.711 8.943 -16.727 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.793 9.289 -16.046 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.307 6.331 -16.437 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.473 7.638 -16.482 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.561 6.445 -19.986 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.097 5.626 -18.515 1.00 0.00 H new ATOM 238 N PHE A 16 -1.729 8.593 -13.610 1.00 0.00 N ATOM 239 CA PHE A 16 -1.646 8.364 -12.173 1.00 0.00 C ATOM 240 C PHE A 16 -2.705 9.187 -11.441 1.00 0.00 C ATOM 241 O PHE A 16 -3.581 8.645 -10.762 1.00 0.00 O ATOM 242 CB PHE A 16 -0.237 8.737 -11.711 1.00 0.00 C ATOM 243 CG PHE A 16 -0.077 8.882 -10.213 1.00 0.00 C ATOM 244 CD1 PHE A 16 -0.222 7.759 -9.381 1.00 0.00 C ATOM 245 CD2 PHE A 16 0.419 10.085 -9.683 1.00 0.00 C ATOM 246 CE1 PHE A 16 0.153 7.830 -8.028 1.00 0.00 C ATOM 247 CE2 PHE A 16 0.854 10.136 -8.352 1.00 0.00 C ATOM 248 CZ PHE A 16 0.714 9.013 -7.519 1.00 0.00 C ATOM 0 H PHE A 16 -1.060 9.282 -13.954 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.837 7.316 -11.945 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.459 7.976 -12.065 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.049 9.676 -12.185 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.622 6.839 -9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.465 10.970 -10.301 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.010 6.977 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.298 11.041 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.037 9.059 -6.489 1.00 0.00 H new ATOM 258 N ASP A 17 -2.597 10.506 -11.605 1.00 0.00 N ATOM 259 CA ASP A 17 -3.547 11.522 -11.187 1.00 0.00 C ATOM 260 C ASP A 17 -4.969 11.064 -11.518 1.00 0.00 C ATOM 261 O ASP A 17 -5.730 10.779 -10.593 1.00 0.00 O ATOM 262 CB ASP A 17 -3.166 12.844 -11.875 1.00 0.00 C ATOM 263 CG ASP A 17 -2.841 12.614 -13.345 1.00 0.00 C ATOM 264 OD1 ASP A 17 -1.726 12.100 -13.588 1.00 0.00 O ATOM 265 OD2 ASP A 17 -3.778 12.769 -14.155 1.00 0.00 O ATOM 0 H ASP A 17 -1.784 10.915 -12.066 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.516 11.680 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.987 13.555 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.306 13.286 -11.372 1.00 0.00 H new ATOM 270 N ASP A 18 -5.293 10.947 -12.813 1.00 0.00 N ATOM 271 CA ASP A 18 -6.436 10.244 -13.388 1.00 0.00 C ATOM 272 C ASP A 18 -7.031 9.200 -12.446 1.00 0.00 C ATOM 273 O ASP A 18 -8.200 9.289 -12.081 1.00 0.00 O ATOM 274 CB ASP A 18 -5.996 9.587 -14.706 1.00 0.00 C ATOM 275 CG ASP A 18 -6.848 8.374 -15.058 1.00 0.00 C ATOM 276 OD1 ASP A 18 -8.046 8.580 -15.333 1.00 0.00 O ATOM 277 OD2 ASP A 18 -6.290 7.254 -14.989 1.00 0.00 O ATOM 0 H ASP A 18 -4.716 11.376 -13.536 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.225 10.975 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.057 10.318 -15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.952 9.285 -14.628 1.00 0.00 H new ATOM 282 N TYR A 19 -6.246 8.199 -12.049 1.00 0.00 N ATOM 283 CA TYR A 19 -6.816 7.092 -11.308 1.00 0.00 C ATOM 284 C TYR A 19 -7.368 7.553 -9.965 1.00 0.00 C ATOM 285 O TYR A 19 -8.508 7.246 -9.627 1.00 0.00 O ATOM 286 CB TYR A 19 -5.798 5.967 -11.141 1.00 0.00 C ATOM 287 CG TYR A 19 -6.446 4.602 -11.073 1.00 0.00 C ATOM 288 CD1 TYR A 19 -7.107 4.105 -12.211 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.211 3.747 -9.981 1.00 0.00 C ATOM 290 CE1 TYR A 19 -7.282 2.726 -12.366 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.456 2.370 -10.108 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.901 1.859 -11.336 1.00 0.00 C ATOM 293 OH TYR A 19 -6.790 0.535 -11.593 1.00 0.00 O ATOM 0 H TYR A 19 -5.243 8.137 -12.225 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.653 6.697 -11.883 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.096 5.991 -11.974 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.220 6.137 -10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.478 4.786 -12.963 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.843 4.148 -9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.709 2.332 -13.276 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.303 1.710 -9.267 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.382 0.406 -12.475 1.00 0.00 H new ATOM 303 N MET A 20 -6.579 8.313 -9.203 1.00 0.00 N ATOM 304 CA MET A 20 -7.035 8.826 -7.919 1.00 0.00 C ATOM 305 C MET A 20 -8.244 9.752 -8.123 1.00 0.00 C ATOM 306 O MET A 20 -9.240 9.678 -7.393 1.00 0.00 O ATOM 307 CB MET A 20 -5.887 9.553 -7.202 1.00 0.00 C ATOM 308 CG MET A 20 -4.714 8.635 -6.847 1.00 0.00 C ATOM 309 SD MET A 20 -3.462 9.424 -5.789 1.00 0.00 S ATOM 310 CE MET A 20 -2.428 7.984 -5.419 1.00 0.00 C ATOM 0 H MET A 20 -5.628 8.583 -9.454 1.00 0.00 H new ATOM 0 HA MET A 20 -7.350 7.994 -7.289 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.526 10.362 -7.837 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.270 10.010 -6.290 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.098 7.749 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.238 8.296 -7.767 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.504 8.312 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.964 7.314 -4.747 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.192 7.458 -6.344 1.00 0.00 H new ATOM 320 N LYS A 21 -8.113 10.627 -9.122 1.00 0.00 N ATOM 321 CA LYS A 21 -9.086 11.596 -9.600 1.00 0.00 C ATOM 322 C LYS A 21 -10.402 10.930 -10.017 1.00 0.00 C ATOM 323 O LYS A 21 -11.453 11.551 -9.894 1.00 0.00 O ATOM 324 CB LYS A 21 -8.413 12.373 -10.746 1.00 0.00 C ATOM 325 CG LYS A 21 -9.259 13.388 -11.523 1.00 0.00 C ATOM 326 CD LYS A 21 -8.311 14.144 -12.474 1.00 0.00 C ATOM 327 CE LYS A 21 -9.035 14.981 -13.538 1.00 0.00 C ATOM 328 NZ LYS A 21 -9.626 14.147 -14.608 1.00 0.00 N ATOM 0 H LYS A 21 -7.247 10.675 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.372 12.285 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.555 12.902 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.025 11.646 -11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.044 12.883 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.751 14.081 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.668 14.799 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.662 13.424 -12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.821 15.567 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.333 15.689 -13.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.103 14.758 -15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.874 13.607 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.317 13.489 -14.194 1.00 0.00 H new ATOM 342 N SER A 22 -10.342 9.694 -10.510 1.00 0.00 N ATOM 343 CA SER A 22 -11.497 8.909 -10.912 1.00 0.00 C ATOM 344 C SER A 22 -12.074 8.168 -9.703 1.00 0.00 C ATOM 345 O SER A 22 -13.244 8.335 -9.372 1.00 0.00 O ATOM 346 CB SER A 22 -11.091 7.941 -12.033 1.00 0.00 C ATOM 347 OG SER A 22 -12.220 7.219 -12.482 1.00 0.00 O ATOM 0 H SER A 22 -9.459 9.201 -10.643 1.00 0.00 H new ATOM 0 HA SER A 22 -12.277 9.566 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.651 8.496 -12.862 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.329 7.251 -11.671 1.00 0.00 H new ATOM 0 HG SER A 22 -12.548 7.611 -13.318 1.00 0.00 H new ATOM 353 N LEU A 23 -11.255 7.348 -9.036 1.00 0.00 N ATOM 354 CA LEU A 23 -11.703 6.479 -7.953 1.00 0.00 C ATOM 355 C LEU A 23 -12.236 7.262 -6.756 1.00 0.00 C ATOM 356 O LEU A 23 -13.007 6.725 -5.965 1.00 0.00 O ATOM 357 CB LEU A 23 -10.559 5.564 -7.492 1.00 0.00 C ATOM 358 CG LEU A 23 -10.132 4.504 -8.520 1.00 0.00 C ATOM 359 CD1 LEU A 23 -9.039 3.635 -7.888 1.00 0.00 C ATOM 360 CD2 LEU A 23 -11.308 3.615 -8.939 1.00 0.00 C ATOM 0 H LEU A 23 -10.258 7.271 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.522 5.881 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.695 6.181 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.862 5.060 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.765 5.010 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.721 2.875 -8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.187 4.260 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.431 3.151 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.966 2.879 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.707 3.103 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.089 4.231 -9.386 1.00 0.00 H new ATOM 372 N GLY A 24 -11.794 8.507 -6.575 1.00 0.00 N ATOM 373 CA GLY A 24 -12.149 9.264 -5.389 1.00 0.00 C ATOM 374 C GLY A 24 -11.181 8.953 -4.254 1.00 0.00 C ATOM 375 O GLY A 24 -11.552 9.027 -3.082 1.00 0.00 O ATOM 0 H GLY A 24 -11.194 9.004 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.129 10.331 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.167 9.020 -5.085 1.00 0.00 H new ATOM 379 N VAL A 25 -9.930 8.648 -4.603 1.00 0.00 N ATOM 380 CA VAL A 25 -8.799 8.734 -3.692 1.00 0.00 C ATOM 381 C VAL A 25 -8.222 10.154 -3.784 1.00 0.00 C ATOM 382 O VAL A 25 -7.622 10.635 -2.828 1.00 0.00 O ATOM 383 CB VAL A 25 -7.760 7.661 -4.063 1.00 0.00 C ATOM 384 CG1 VAL A 25 -6.464 7.820 -3.259 1.00 0.00 C ATOM 385 CG2 VAL A 25 -8.313 6.250 -3.835 1.00 0.00 C ATOM 0 H VAL A 25 -9.676 8.331 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.103 8.547 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.539 7.800 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.757 7.043 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.030 8.800 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.683 7.730 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.556 5.514 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.578 6.128 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.199 6.103 -4.452 1.00 0.00 H new ATOM 395 N GLY A 26 -8.388 10.805 -4.946 1.00 0.00 N ATOM 396 CA GLY A 26 -7.769 12.068 -5.319 1.00 0.00 C ATOM 397 C GLY A 26 -8.203 13.244 -4.446 1.00 0.00 C ATOM 398 O GLY A 26 -7.792 13.347 -3.295 1.00 0.00 O ATOM 0 H GLY A 26 -8.991 10.438 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.686 11.963 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.012 12.289 -6.358 1.00 0.00 H new ATOM 402 N PHE A 27 -8.996 14.147 -5.040 1.00 0.00 N ATOM 403 CA PHE A 27 -9.717 15.260 -4.422 1.00 0.00 C ATOM 404 C PHE A 27 -9.061 15.810 -3.150 1.00 0.00 C ATOM 405 O PHE A 27 -9.719 15.901 -2.119 1.00 0.00 O ATOM 406 CB PHE A 27 -11.176 14.835 -4.192 1.00 0.00 C ATOM 407 CG PHE A 27 -11.895 14.383 -5.454 1.00 0.00 C ATOM 408 CD1 PHE A 27 -11.672 13.092 -5.966 1.00 0.00 C ATOM 409 CD2 PHE A 27 -12.816 15.233 -6.096 1.00 0.00 C ATOM 410 CE1 PHE A 27 -12.316 12.676 -7.140 1.00 0.00 C ATOM 411 CE2 PHE A 27 -13.483 14.804 -7.257 1.00 0.00 C ATOM 412 CZ PHE A 27 -13.213 13.535 -7.794 1.00 0.00 C ATOM 0 H PHE A 27 -9.160 14.112 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.681 16.102 -5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.197 14.024 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.722 15.670 -3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.002 12.418 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.011 16.217 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.121 11.693 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -14.203 15.451 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 27 -13.694 13.221 -8.708 1.00 0.00 H new ATOM 422 N ALA A 28 -7.778 16.179 -3.267 1.00 0.00 N ATOM 423 CA ALA A 28 -6.846 16.590 -2.215 1.00 0.00 C ATOM 424 C ALA A 28 -5.492 15.951 -2.517 1.00 0.00 C ATOM 425 O ALA A 28 -4.509 16.642 -2.768 1.00 0.00 O ATOM 426 CB ALA A 28 -7.297 16.209 -0.796 1.00 0.00 C ATOM 0 H ALA A 28 -7.329 16.198 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.796 17.679 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.554 16.548 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.255 16.682 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.403 15.126 -0.726 1.00 0.00 H new ATOM 432 N THR A 29 -5.449 14.619 -2.533 1.00 0.00 N ATOM 433 CA THR A 29 -4.206 13.874 -2.660 1.00 0.00 C ATOM 434 C THR A 29 -3.593 14.118 -4.041 1.00 0.00 C ATOM 435 O THR A 29 -2.423 14.467 -4.143 1.00 0.00 O ATOM 436 CB THR A 29 -4.452 12.385 -2.378 1.00 0.00 C ATOM 437 OG1 THR A 29 -5.273 11.828 -3.378 1.00 0.00 O ATOM 438 CG2 THR A 29 -5.091 12.171 -1.002 1.00 0.00 C ATOM 0 H THR A 29 -6.278 14.030 -2.458 1.00 0.00 H new ATOM 0 HA THR A 29 -3.486 14.224 -1.920 1.00 0.00 H new ATOM 0 HB THR A 29 -3.484 11.884 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.158 11.634 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.251 11.105 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.430 12.563 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.048 12.692 -0.960 1.00 0.00 H new ATOM 446 N ARG A 30 -4.411 13.988 -5.093 1.00 0.00 N ATOM 447 CA ARG A 30 -4.029 14.063 -6.507 1.00 0.00 C ATOM 448 C ARG A 30 -3.175 15.277 -6.904 1.00 0.00 C ATOM 449 O ARG A 30 -2.575 15.264 -7.979 1.00 0.00 O ATOM 450 CB ARG A 30 -5.279 13.989 -7.400 1.00 0.00 C ATOM 451 CG ARG A 30 -6.209 15.202 -7.235 1.00 0.00 C ATOM 452 CD ARG A 30 -7.437 15.066 -8.143 1.00 0.00 C ATOM 453 NE ARG A 30 -8.310 16.250 -8.038 1.00 0.00 N ATOM 454 CZ ARG A 30 -9.655 16.263 -8.079 1.00 0.00 C ATOM 455 NH1 ARG A 30 -10.341 15.128 -8.248 1.00 0.00 N ATOM 456 NH2 ARG A 30 -10.312 17.421 -7.942 1.00 0.00 N ATOM 0 H ARG A 30 -5.410 13.819 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.382 13.200 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.970 13.915 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.832 13.080 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.526 15.286 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.669 16.117 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.116 14.938 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.998 14.172 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.847 17.151 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.845 14.242 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.360 15.148 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.793 18.289 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.331 17.436 -7.972 1.00 0.00 H new ATOM 470 N GLN A 31 -3.164 16.335 -6.091 1.00 0.00 N ATOM 471 CA GLN A 31 -2.436 17.565 -6.372 1.00 0.00 C ATOM 472 C GLN A 31 -1.188 17.737 -5.497 1.00 0.00 C ATOM 473 O GLN A 31 -0.366 18.598 -5.798 1.00 0.00 O ATOM 474 CB GLN A 31 -3.389 18.766 -6.274 1.00 0.00 C ATOM 475 CG GLN A 31 -4.231 18.790 -4.991 1.00 0.00 C ATOM 476 CD GLN A 31 -5.160 19.998 -4.935 1.00 0.00 C ATOM 477 OE1 GLN A 31 -4.872 21.050 -5.493 1.00 0.00 O ATOM 478 NE2 GLN A 31 -6.307 19.850 -4.279 1.00 0.00 N ATOM 0 H GLN A 31 -3.670 16.357 -5.206 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.058 17.504 -7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.806 19.685 -6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.057 18.758 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.822 17.876 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.570 18.802 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.523 18.964 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.971 20.623 -4.232 1.00 0.00 H new ATOM 487 N VAL A 32 -1.037 16.951 -4.424 1.00 0.00 N ATOM 488 CA VAL A 32 0.098 17.059 -3.513 1.00 0.00 C ATOM 489 C VAL A 32 0.498 15.663 -3.043 1.00 0.00 C ATOM 490 O VAL A 32 1.577 15.181 -3.397 1.00 0.00 O ATOM 491 CB VAL A 32 -0.235 17.991 -2.329 1.00 0.00 C ATOM 492 CG1 VAL A 32 0.918 18.035 -1.319 1.00 0.00 C ATOM 493 CG2 VAL A 32 -0.490 19.431 -2.778 1.00 0.00 C ATOM 0 H VAL A 32 -1.703 16.222 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 32 0.945 17.504 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.137 17.579 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.655 18.699 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.101 17.033 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.818 18.404 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.720 20.048 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.399 19.820 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.331 19.452 -3.471 1.00 0.00 H new ATOM 503 N GLY A 33 -0.365 15.029 -2.237 1.00 0.00 N ATOM 504 CA GLY A 33 -0.152 13.726 -1.615 1.00 0.00 C ATOM 505 C GLY A 33 -0.245 12.601 -2.643 1.00 0.00 C ATOM 506 O GLY A 33 -1.105 11.726 -2.560 1.00 0.00 O ATOM 0 H GLY A 33 -1.269 15.433 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.827 13.704 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.893 13.569 -0.832 1.00 0.00 H new ATOM 510 N ASN A 34 0.636 12.656 -3.634 1.00 0.00 N ATOM 511 CA ASN A 34 0.700 11.789 -4.791 1.00 0.00 C ATOM 512 C ASN A 34 2.005 12.091 -5.524 1.00 0.00 C ATOM 513 O ASN A 34 2.748 11.178 -5.857 1.00 0.00 O ATOM 514 CB ASN A 34 -0.540 11.953 -5.688 1.00 0.00 C ATOM 515 CG ASN A 34 -0.553 13.231 -6.522 1.00 0.00 C ATOM 516 OD1 ASN A 34 -0.254 14.314 -6.028 1.00 0.00 O ATOM 517 ND2 ASN A 34 -0.921 13.121 -7.794 1.00 0.00 N ATOM 0 H ASN A 34 1.374 13.360 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 34 0.694 10.743 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.604 11.096 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.431 11.934 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.960 13.950 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.164 12.208 -8.177 1.00 0.00 H new ATOM 524 N MET A 35 2.293 13.376 -5.759 1.00 0.00 N ATOM 525 CA MET A 35 3.469 13.834 -6.483 1.00 0.00 C ATOM 526 C MET A 35 4.571 14.303 -5.525 1.00 0.00 C ATOM 527 O MET A 35 5.725 14.416 -5.937 1.00 0.00 O ATOM 528 CB MET A 35 3.031 14.921 -7.476 1.00 0.00 C ATOM 529 CG MET A 35 4.135 15.278 -8.481 1.00 0.00 C ATOM 530 SD MET A 35 3.600 16.284 -9.895 1.00 0.00 S ATOM 531 CE MET A 35 2.687 15.051 -10.861 1.00 0.00 C ATOM 0 H MET A 35 1.696 14.139 -5.441 1.00 0.00 H new ATOM 0 HA MET A 35 3.911 13.010 -7.044 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.148 14.580 -8.017 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.742 15.816 -6.926 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.925 15.813 -7.954 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.573 14.354 -8.858 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.416 15.474 -11.828 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.313 14.171 -11.012 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.783 14.765 -10.324 1.00 0.00 H new ATOM 541 N THR A 36 4.242 14.570 -4.255 1.00 0.00 N ATOM 542 CA THR A 36 5.201 14.996 -3.239 1.00 0.00 C ATOM 543 C THR A 36 6.164 13.852 -2.862 1.00 0.00 C ATOM 544 O THR A 36 6.079 13.276 -1.783 1.00 0.00 O ATOM 545 CB THR A 36 4.440 15.634 -2.055 1.00 0.00 C ATOM 546 OG1 THR A 36 5.316 16.350 -1.213 1.00 0.00 O ATOM 547 CG2 THR A 36 3.631 14.662 -1.189 1.00 0.00 C ATOM 0 H THR A 36 3.287 14.494 -3.904 1.00 0.00 H new ATOM 0 HA THR A 36 5.857 15.772 -3.633 1.00 0.00 H new ATOM 0 HB THR A 36 3.722 16.295 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.809 16.745 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.137 15.213 -0.388 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.881 14.165 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.299 13.916 -0.758 1.00 0.00 H new ATOM 555 N LYS A 37 7.089 13.515 -3.770 1.00 0.00 N ATOM 556 CA LYS A 37 8.068 12.441 -3.611 1.00 0.00 C ATOM 557 C LYS A 37 7.426 11.154 -3.066 1.00 0.00 C ATOM 558 O LYS A 37 7.738 10.739 -1.952 1.00 0.00 O ATOM 559 CB LYS A 37 9.245 12.910 -2.740 1.00 0.00 C ATOM 560 CG LYS A 37 10.072 13.995 -3.440 1.00 0.00 C ATOM 561 CD LYS A 37 11.240 14.409 -2.533 1.00 0.00 C ATOM 562 CE LYS A 37 12.182 15.425 -3.198 1.00 0.00 C ATOM 563 NZ LYS A 37 12.966 14.836 -4.304 1.00 0.00 N ATOM 0 H LYS A 37 7.176 14.000 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 37 8.459 12.194 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.866 13.295 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.885 12.060 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.450 13.622 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.446 14.859 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.844 14.837 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.809 13.522 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.597 16.262 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.864 15.827 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.597 15.559 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.534 14.043 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.320 14.491 -5.042 1.00 0.00 H new ATOM 577 N PRO A 38 6.546 10.509 -3.847 1.00 0.00 N ATOM 578 CA PRO A 38 5.870 9.289 -3.438 1.00 0.00 C ATOM 579 C PRO A 38 6.876 8.150 -3.240 1.00 0.00 C ATOM 580 O PRO A 38 7.377 7.573 -4.205 1.00 0.00 O ATOM 581 CB PRO A 38 4.859 8.998 -4.550 1.00 0.00 C ATOM 582 CG PRO A 38 5.498 9.648 -5.778 1.00 0.00 C ATOM 583 CD PRO A 38 6.130 10.898 -5.185 1.00 0.00 C ATOM 0 HA PRO A 38 5.366 9.392 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.712 7.927 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.882 9.427 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.239 8.998 -6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.759 9.888 -6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.979 11.232 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.419 11.723 -5.153 1.00 0.00 H new ATOM 591 N THR A 39 7.156 7.819 -1.980 1.00 0.00 N ATOM 592 CA THR A 39 8.083 6.772 -1.584 1.00 0.00 C ATOM 593 C THR A 39 7.281 5.606 -1.015 1.00 0.00 C ATOM 594 O THR A 39 6.329 5.815 -0.266 1.00 0.00 O ATOM 595 CB THR A 39 9.073 7.355 -0.565 1.00 0.00 C ATOM 596 OG1 THR A 39 9.853 8.347 -1.199 1.00 0.00 O ATOM 597 CG2 THR A 39 10.047 6.322 0.006 1.00 0.00 C ATOM 0 H THR A 39 6.727 8.291 -1.184 1.00 0.00 H new ATOM 0 HA THR A 39 8.659 6.400 -2.432 1.00 0.00 H new ATOM 0 HB THR A 39 8.470 7.745 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.283 9.106 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.715 6.807 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.487 5.535 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.633 5.888 -0.804 1.00 0.00 H new ATOM 605 N THR A 40 7.671 4.375 -1.344 1.00 0.00 N ATOM 606 CA THR A 40 7.079 3.185 -0.760 1.00 0.00 C ATOM 607 C THR A 40 8.189 2.316 -0.181 1.00 0.00 C ATOM 608 O THR A 40 8.923 1.669 -0.926 1.00 0.00 O ATOM 609 CB THR A 40 6.209 2.445 -1.782 1.00 0.00 C ATOM 610 OG1 THR A 40 5.197 3.306 -2.266 1.00 0.00 O ATOM 611 CG2 THR A 40 5.500 1.260 -1.128 1.00 0.00 C ATOM 0 H THR A 40 8.407 4.181 -2.023 1.00 0.00 H new ATOM 0 HA THR A 40 6.408 3.460 0.054 1.00 0.00 H new ATOM 0 HB THR A 40 6.863 2.107 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.059 3.143 -3.222 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.887 0.748 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.241 0.568 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.865 1.618 -0.318 1.00 0.00 H new ATOM 619 N ILE A 41 8.301 2.275 1.149 1.00 0.00 N ATOM 620 CA ILE A 41 9.084 1.234 1.798 1.00 0.00 C ATOM 621 C ILE A 41 8.288 -0.057 1.641 1.00 0.00 C ATOM 622 O ILE A 41 7.086 -0.064 1.915 1.00 0.00 O ATOM 623 CB ILE A 41 9.359 1.583 3.274 1.00 0.00 C ATOM 624 CG1 ILE A 41 10.367 2.742 3.357 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.903 0.366 4.041 1.00 0.00 C ATOM 626 CD1 ILE A 41 10.409 3.405 4.738 1.00 0.00 C ATOM 0 H ILE A 41 7.865 2.942 1.785 1.00 0.00 H new ATOM 0 HA ILE A 41 10.068 1.128 1.342 1.00 0.00 H new ATOM 0 HB ILE A 41 8.417 1.883 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.361 2.370 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.112 3.492 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.087 0.643 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.173 -0.443 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.835 0.034 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.139 4.214 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.425 3.806 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.693 2.667 5.488 1.00 0.00 H new ATOM 638 N ILE A 42 8.943 -1.126 1.188 1.00 0.00 N ATOM 639 CA ILE A 42 8.415 -2.475 1.274 1.00 0.00 C ATOM 640 C ILE A 42 9.445 -3.272 2.068 1.00 0.00 C ATOM 641 O ILE A 42 10.633 -3.144 1.786 1.00 0.00 O ATOM 642 CB ILE A 42 8.178 -3.053 -0.133 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.191 -2.167 -0.912 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.636 -4.481 -0.015 1.00 0.00 C ATOM 645 CD1 ILE A 42 6.866 -2.684 -2.317 1.00 0.00 C ATOM 0 H ILE A 42 9.862 -1.073 0.749 1.00 0.00 H new ATOM 0 HA ILE A 42 7.445 -2.510 1.770 1.00 0.00 H new ATOM 0 HB ILE A 42 9.122 -3.075 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.265 -2.085 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.606 -1.162 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.468 -4.890 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.358 -5.102 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.695 -4.469 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.164 -2.005 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.782 -2.739 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.420 -3.676 -2.246 1.00 0.00 H new ATOM 657 N GLU A 43 9.031 -4.063 3.059 1.00 0.00 N ATOM 658 CA GLU A 43 9.956 -4.860 3.857 1.00 0.00 C ATOM 659 C GLU A 43 9.351 -6.239 4.109 1.00 0.00 C ATOM 660 O GLU A 43 8.145 -6.364 4.312 1.00 0.00 O ATOM 661 CB GLU A 43 10.313 -4.109 5.146 1.00 0.00 C ATOM 662 CG GLU A 43 11.481 -4.759 5.898 1.00 0.00 C ATOM 663 CD GLU A 43 11.918 -3.894 7.074 1.00 0.00 C ATOM 664 OE1 GLU A 43 11.025 -3.525 7.865 1.00 0.00 O ATOM 665 OE2 GLU A 43 13.131 -3.604 7.143 1.00 0.00 O ATOM 0 H GLU A 43 8.052 -4.167 3.327 1.00 0.00 H new ATOM 0 HA GLU A 43 10.891 -5.016 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.570 -3.078 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.439 -4.075 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.185 -5.745 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.320 -4.906 5.218 1.00 0.00 H new ATOM 672 N VAL A 44 10.176 -7.285 4.036 1.00 0.00 N ATOM 673 CA VAL A 44 9.727 -8.653 4.250 1.00 0.00 C ATOM 674 C VAL A 44 9.420 -8.860 5.736 1.00 0.00 C ATOM 675 O VAL A 44 10.154 -8.377 6.594 1.00 0.00 O ATOM 676 CB VAL A 44 10.755 -9.647 3.678 1.00 0.00 C ATOM 677 CG1 VAL A 44 12.109 -9.601 4.397 1.00 0.00 C ATOM 678 CG2 VAL A 44 10.219 -11.083 3.707 1.00 0.00 C ATOM 0 H VAL A 44 11.171 -7.203 3.827 1.00 0.00 H new ATOM 0 HA VAL A 44 8.800 -8.843 3.710 1.00 0.00 H new ATOM 0 HB VAL A 44 10.916 -9.333 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.786 -10.325 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.535 -8.602 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.970 -9.843 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.969 -11.760 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.997 -11.368 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.309 -11.144 3.110 1.00 0.00 H new ATOM 688 N ASN A 45 8.327 -9.563 6.034 1.00 0.00 N ATOM 689 CA ASN A 45 7.918 -9.935 7.383 1.00 0.00 C ATOM 690 C ASN A 45 7.780 -11.459 7.437 1.00 0.00 C ATOM 691 O ASN A 45 7.744 -12.090 6.385 1.00 0.00 O ATOM 692 CB ASN A 45 6.604 -9.218 7.714 1.00 0.00 C ATOM 693 CG ASN A 45 6.187 -9.456 9.161 1.00 0.00 C ATOM 694 OD1 ASN A 45 6.814 -8.948 10.083 1.00 0.00 O ATOM 695 ND2 ASN A 45 5.154 -10.257 9.387 1.00 0.00 N ATOM 0 H ASN A 45 7.683 -9.899 5.318 1.00 0.00 H new ATOM 0 HA ASN A 45 8.655 -9.634 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.718 -8.148 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.818 -9.569 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.867 -10.461 10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.647 -10.669 8.604 1.00 0.00 H new ATOM 702 N GLY A 46 7.729 -12.041 8.642 1.00 0.00 N ATOM 703 CA GLY A 46 7.701 -13.478 8.925 1.00 0.00 C ATOM 704 C GLY A 46 7.356 -14.379 7.734 1.00 0.00 C ATOM 705 O GLY A 46 8.224 -15.082 7.220 1.00 0.00 O ATOM 0 H GLY A 46 7.705 -11.485 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.677 -13.774 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.976 -13.660 9.718 1.00 0.00 H new ATOM 709 N ASP A 47 6.089 -14.358 7.313 1.00 0.00 N ATOM 710 CA ASP A 47 5.549 -15.104 6.182 1.00 0.00 C ATOM 711 C ASP A 47 4.880 -14.148 5.183 1.00 0.00 C ATOM 712 O ASP A 47 3.966 -14.541 4.459 1.00 0.00 O ATOM 713 CB ASP A 47 4.499 -16.079 6.734 1.00 0.00 C ATOM 714 CG ASP A 47 3.244 -15.344 7.195 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.397 -14.224 7.736 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.153 -15.903 6.945 1.00 0.00 O ATOM 0 H ASP A 47 5.380 -13.791 7.777 1.00 0.00 H new ATOM 0 HA ASP A 47 6.348 -15.636 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.235 -16.805 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.922 -16.638 7.569 1.00 0.00 H new ATOM 721 N THR A 48 5.279 -12.878 5.196 1.00 0.00 N ATOM 722 CA THR A 48 4.449 -11.754 4.789 1.00 0.00 C ATOM 723 C THR A 48 5.356 -10.646 4.245 1.00 0.00 C ATOM 724 O THR A 48 6.576 -10.793 4.194 1.00 0.00 O ATOM 725 CB THR A 48 3.632 -11.278 6.016 1.00 0.00 C ATOM 726 OG1 THR A 48 4.196 -11.740 7.232 1.00 0.00 O ATOM 727 CG2 THR A 48 2.182 -11.767 5.984 1.00 0.00 C ATOM 0 H THR A 48 6.212 -12.599 5.498 1.00 0.00 H new ATOM 0 HA THR A 48 3.751 -12.038 4.001 1.00 0.00 H new ATOM 0 HB THR A 48 3.657 -10.189 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.643 -12.462 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.656 -11.404 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.690 -11.389 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.166 -12.857 5.974 1.00 0.00 H new ATOM 735 N VAL A 49 4.780 -9.515 3.842 1.00 0.00 N ATOM 736 CA VAL A 49 5.531 -8.337 3.453 1.00 0.00 C ATOM 737 C VAL A 49 4.709 -7.113 3.850 1.00 0.00 C ATOM 738 O VAL A 49 3.493 -7.095 3.652 1.00 0.00 O ATOM 739 CB VAL A 49 5.878 -8.415 1.956 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.651 -8.343 1.044 1.00 0.00 C ATOM 741 CG2 VAL A 49 6.862 -7.317 1.545 1.00 0.00 C ATOM 0 H VAL A 49 3.769 -9.396 3.778 1.00 0.00 H new ATOM 0 HA VAL A 49 6.490 -8.266 3.966 1.00 0.00 H new ATOM 0 HB VAL A 49 6.340 -9.394 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.968 -8.403 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.982 -9.173 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.129 -7.401 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.082 -7.405 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.421 -6.340 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.784 -7.422 2.117 1.00 0.00 H new ATOM 751 N ILE A 50 5.360 -6.125 4.467 1.00 0.00 N ATOM 752 CA ILE A 50 4.745 -4.872 4.870 1.00 0.00 C ATOM 753 C ILE A 50 5.073 -3.812 3.824 1.00 0.00 C ATOM 754 O ILE A 50 6.177 -3.815 3.277 1.00 0.00 O ATOM 755 CB ILE A 50 5.159 -4.504 6.307 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.120 -3.573 6.952 1.00 0.00 C ATOM 757 CG2 ILE A 50 6.563 -3.894 6.363 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.416 -3.311 8.431 1.00 0.00 C ATOM 0 H ILE A 50 6.351 -6.181 4.703 1.00 0.00 H new ATOM 0 HA ILE A 50 3.659 -4.958 4.906 1.00 0.00 H new ATOM 0 HB ILE A 50 5.193 -5.429 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.101 -2.625 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.129 -4.015 6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.813 -3.650 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.287 -4.610 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.590 -2.987 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.655 -2.648 8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.409 -4.255 8.976 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.396 -2.843 8.529 1.00 0.00 H new ATOM 770 N ILE A 51 4.102 -2.949 3.524 1.00 0.00 N ATOM 771 CA ILE A 51 4.191 -1.880 2.544 1.00 0.00 C ATOM 772 C ILE A 51 3.778 -0.585 3.241 1.00 0.00 C ATOM 773 O ILE A 51 2.778 -0.581 3.958 1.00 0.00 O ATOM 774 CB ILE A 51 3.324 -2.236 1.316 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.404 -1.197 0.185 1.00 0.00 C ATOM 776 CG2 ILE A 51 1.866 -2.570 1.664 1.00 0.00 C ATOM 777 CD1 ILE A 51 2.388 -0.050 0.260 1.00 0.00 C ATOM 0 H ILE A 51 3.191 -2.983 3.982 1.00 0.00 H new ATOM 0 HA ILE A 51 5.203 -1.746 2.163 1.00 0.00 H new ATOM 0 HB ILE A 51 3.772 -3.154 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.407 -0.770 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.272 -1.712 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.320 -2.809 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.840 -3.426 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.402 -1.712 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.535 0.622 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.377 -0.457 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.529 0.501 1.190 1.00 0.00 H new ATOM 789 N LYS A 52 4.555 0.488 3.051 1.00 0.00 N ATOM 790 CA LYS A 52 4.318 1.801 3.637 1.00 0.00 C ATOM 791 C LYS A 52 4.325 2.852 2.527 1.00 0.00 C ATOM 792 O LYS A 52 5.392 3.327 2.135 1.00 0.00 O ATOM 793 CB LYS A 52 5.392 2.079 4.695 1.00 0.00 C ATOM 794 CG LYS A 52 5.030 3.291 5.558 1.00 0.00 C ATOM 795 CD LYS A 52 6.208 3.642 6.473 1.00 0.00 C ATOM 796 CE LYS A 52 5.842 4.766 7.455 1.00 0.00 C ATOM 797 NZ LYS A 52 5.802 4.273 8.847 1.00 0.00 N ATOM 0 H LYS A 52 5.390 0.459 2.466 1.00 0.00 H new ATOM 0 HA LYS A 52 3.346 1.837 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.514 1.202 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.350 2.253 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.784 4.142 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.145 3.073 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.514 2.756 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.061 3.949 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.570 5.573 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.871 5.184 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.214 4.908 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.397 3.315 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.767 4.248 9.234 1.00 0.00 H new ATOM 811 N THR A 53 3.146 3.214 2.017 1.00 0.00 N ATOM 812 CA THR A 53 2.999 4.121 0.885 1.00 0.00 C ATOM 813 C THR A 53 3.093 5.571 1.370 1.00 0.00 C ATOM 814 O THR A 53 2.081 6.256 1.546 1.00 0.00 O ATOM 815 CB THR A 53 1.712 3.808 0.094 1.00 0.00 C ATOM 816 OG1 THR A 53 1.380 4.890 -0.748 1.00 0.00 O ATOM 817 CG2 THR A 53 0.494 3.525 0.974 1.00 0.00 C ATOM 0 H THR A 53 2.256 2.879 2.386 1.00 0.00 H new ATOM 0 HA THR A 53 3.816 3.973 0.179 1.00 0.00 H new ATOM 0 HB THR A 53 1.940 2.904 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.563 4.679 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.370 3.314 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.697 2.664 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.285 4.395 1.596 1.00 0.00 H new ATOM 825 N GLN A 54 4.321 6.067 1.533 1.00 0.00 N ATOM 826 CA GLN A 54 4.591 7.459 1.851 1.00 0.00 C ATOM 827 C GLN A 54 4.374 8.308 0.597 1.00 0.00 C ATOM 828 O GLN A 54 5.318 8.775 -0.037 1.00 0.00 O ATOM 829 CB GLN A 54 5.999 7.604 2.444 1.00 0.00 C ATOM 830 CG GLN A 54 6.127 6.843 3.772 1.00 0.00 C ATOM 831 CD GLN A 54 7.420 6.039 3.843 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.373 6.437 4.502 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.463 4.883 3.188 1.00 0.00 N ATOM 0 H GLN A 54 5.164 5.500 1.445 1.00 0.00 H new ATOM 0 HA GLN A 54 3.901 7.820 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.735 7.227 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.221 8.659 2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.093 7.550 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.276 6.173 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.656 4.574 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.303 4.305 3.227 1.00 0.00 H new ATOM 842 N SER A 55 3.098 8.475 0.247 1.00 0.00 N ATOM 843 CA SER A 55 2.618 9.213 -0.907 1.00 0.00 C ATOM 844 C SER A 55 1.335 9.921 -0.481 1.00 0.00 C ATOM 845 O SER A 55 1.289 11.144 -0.357 1.00 0.00 O ATOM 846 CB SER A 55 2.395 8.223 -2.065 1.00 0.00 C ATOM 847 OG SER A 55 1.713 8.819 -3.151 1.00 0.00 O ATOM 0 H SER A 55 2.336 8.075 0.795 1.00 0.00 H new ATOM 0 HA SER A 55 3.330 9.960 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.358 7.843 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.824 7.367 -1.705 1.00 0.00 H new ATOM 0 HG SER A 55 1.593 8.158 -3.865 1.00 0.00 H new ATOM 853 N THR A 56 0.290 9.131 -0.237 1.00 0.00 N ATOM 854 CA THR A 56 -0.985 9.602 0.261 1.00 0.00 C ATOM 855 C THR A 56 -0.806 10.277 1.622 1.00 0.00 C ATOM 856 O THR A 56 0.031 9.857 2.426 1.00 0.00 O ATOM 857 CB THR A 56 -1.926 8.393 0.310 1.00 0.00 C ATOM 858 OG1 THR A 56 -1.963 7.861 -1.000 1.00 0.00 O ATOM 859 CG2 THR A 56 -3.350 8.757 0.729 1.00 0.00 C ATOM 0 H THR A 56 0.316 8.122 -0.386 1.00 0.00 H new ATOM 0 HA THR A 56 -1.418 10.361 -0.391 1.00 0.00 H new ATOM 0 HB THR A 56 -1.553 7.687 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.895 7.734 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.966 7.858 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.334 9.203 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.767 9.471 0.018 1.00 0.00 H new ATOM 867 N PHE A 57 -1.592 11.332 1.869 1.00 0.00 N ATOM 868 CA PHE A 57 -1.592 12.038 3.141 1.00 0.00 C ATOM 869 C PHE A 57 -1.696 11.040 4.297 1.00 0.00 C ATOM 870 O PHE A 57 -2.444 10.069 4.216 1.00 0.00 O ATOM 871 CB PHE A 57 -2.700 13.107 3.194 1.00 0.00 C ATOM 872 CG PHE A 57 -4.111 12.622 3.505 1.00 0.00 C ATOM 873 CD1 PHE A 57 -4.753 11.693 2.665 1.00 0.00 C ATOM 874 CD2 PHE A 57 -4.808 13.146 4.612 1.00 0.00 C ATOM 875 CE1 PHE A 57 -6.054 11.250 2.957 1.00 0.00 C ATOM 876 CE2 PHE A 57 -6.116 12.716 4.894 1.00 0.00 C ATOM 877 CZ PHE A 57 -6.737 11.760 4.072 1.00 0.00 C ATOM 0 H PHE A 57 -2.245 11.715 1.186 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.646 12.571 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.422 13.847 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.722 13.621 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.242 11.318 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.335 13.881 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.529 10.516 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.645 13.121 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.737 11.419 4.298 1.00 0.00 H new ATOM 887 N LYS A 58 -0.883 11.245 5.335 1.00 0.00 N ATOM 888 CA LYS A 58 -0.800 10.388 6.516 1.00 0.00 C ATOM 889 C LYS A 58 -0.092 9.049 6.252 1.00 0.00 C ATOM 890 O LYS A 58 0.183 8.328 7.206 1.00 0.00 O ATOM 891 CB LYS A 58 -2.164 10.223 7.214 1.00 0.00 C ATOM 892 CG LYS A 58 -2.787 11.579 7.584 1.00 0.00 C ATOM 893 CD LYS A 58 -4.259 11.458 8.003 1.00 0.00 C ATOM 894 CE LYS A 58 -4.442 10.587 9.255 1.00 0.00 C ATOM 895 NZ LYS A 58 -5.847 10.566 9.713 1.00 0.00 N ATOM 0 H LYS A 58 -0.244 12.039 5.377 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.155 10.912 7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.844 9.678 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.040 9.622 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.217 12.026 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.710 12.255 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.663 12.452 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.834 11.033 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.115 9.570 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.805 10.964 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.927 9.967 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.152 11.533 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.452 10.182 8.959 1.00 0.00 H new ATOM 909 N ASN A 59 0.280 8.756 4.999 1.00 0.00 N ATOM 910 CA ASN A 59 1.275 7.748 4.638 1.00 0.00 C ATOM 911 C ASN A 59 0.889 6.358 5.151 1.00 0.00 C ATOM 912 O ASN A 59 1.493 5.841 6.090 1.00 0.00 O ATOM 913 CB ASN A 59 2.669 8.163 5.144 1.00 0.00 C ATOM 914 CG ASN A 59 3.256 9.436 4.527 1.00 0.00 C ATOM 915 OD1 ASN A 59 4.334 9.858 4.930 1.00 0.00 O ATOM 916 ND2 ASN A 59 2.613 10.055 3.537 1.00 0.00 N ATOM 0 H ASN A 59 -0.117 9.230 4.188 1.00 0.00 H new ATOM 0 HA ASN A 59 1.308 7.687 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.616 8.298 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.360 7.341 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.018 10.887 3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.716 9.696 3.208 1.00 0.00 H new ATOM 923 N THR A 60 -0.118 5.749 4.525 1.00 0.00 N ATOM 924 CA THR A 60 -0.691 4.486 4.950 1.00 0.00 C ATOM 925 C THR A 60 0.323 3.337 4.915 1.00 0.00 C ATOM 926 O THR A 60 1.264 3.333 4.115 1.00 0.00 O ATOM 927 CB THR A 60 -1.935 4.204 4.092 1.00 0.00 C ATOM 928 OG1 THR A 60 -1.837 4.851 2.833 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.177 4.752 4.797 1.00 0.00 C ATOM 0 H THR A 60 -0.563 6.134 3.691 1.00 0.00 H new ATOM 0 HA THR A 60 -0.987 4.561 5.996 1.00 0.00 H new ATOM 0 HB THR A 60 -2.007 3.126 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.434 4.412 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.059 4.552 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.288 4.268 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.070 5.827 4.939 1.00 0.00 H new ATOM 937 N GLU A 61 0.119 2.369 5.817 1.00 0.00 N ATOM 938 CA GLU A 61 0.996 1.240 6.066 1.00 0.00 C ATOM 939 C GLU A 61 0.123 0.005 6.269 1.00 0.00 C ATOM 940 O GLU A 61 -0.886 0.105 6.967 1.00 0.00 O ATOM 941 CB GLU A 61 1.835 1.544 7.314 1.00 0.00 C ATOM 942 CG GLU A 61 2.992 0.553 7.501 1.00 0.00 C ATOM 943 CD GLU A 61 3.887 0.959 8.664 1.00 0.00 C ATOM 944 OE1 GLU A 61 4.342 2.124 8.645 1.00 0.00 O ATOM 945 OE2 GLU A 61 4.104 0.116 9.555 1.00 0.00 O ATOM 0 H GLU A 61 -0.705 2.360 6.418 1.00 0.00 H new ATOM 0 HA GLU A 61 1.674 1.060 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.235 2.555 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.193 1.518 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.593 -0.446 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.582 0.503 6.586 1.00 0.00 H new ATOM 952 N ILE A 62 0.477 -1.135 5.663 1.00 0.00 N ATOM 953 CA ILE A 62 -0.287 -2.370 5.811 1.00 0.00 C ATOM 954 C ILE A 62 0.591 -3.574 5.455 1.00 0.00 C ATOM 955 O ILE A 62 1.614 -3.421 4.790 1.00 0.00 O ATOM 956 CB ILE A 62 -1.591 -2.292 4.985 1.00 0.00 C ATOM 957 CG1 ILE A 62 -2.574 -3.448 5.238 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.305 -2.196 3.480 1.00 0.00 C ATOM 959 CD1 ILE A 62 -3.027 -3.554 6.699 1.00 0.00 C ATOM 0 H ILE A 62 1.296 -1.223 5.061 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.589 -2.502 6.850 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.074 -1.379 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.450 -3.316 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.104 -4.386 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.247 -2.143 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.717 -1.301 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.748 -3.076 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.719 -4.390 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.159 -3.717 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.526 -2.631 6.993 1.00 0.00 H new ATOM 971 N SER A 63 0.208 -4.764 5.928 1.00 0.00 N ATOM 972 CA SER A 63 0.893 -6.031 5.731 1.00 0.00 C ATOM 973 C SER A 63 0.066 -6.930 4.816 1.00 0.00 C ATOM 974 O SER A 63 -1.108 -7.142 5.114 1.00 0.00 O ATOM 975 CB SER A 63 1.045 -6.689 7.103 1.00 0.00 C ATOM 976 OG SER A 63 -0.223 -6.725 7.736 1.00 0.00 O ATOM 0 H SER A 63 -0.637 -4.867 6.490 1.00 0.00 H new ATOM 0 HA SER A 63 1.868 -5.873 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.442 -7.699 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.755 -6.131 7.713 1.00 0.00 H new ATOM 0 HG SER A 63 -0.915 -6.921 7.071 1.00 0.00 H new ATOM 982 N PHE A 64 0.670 -7.497 3.766 1.00 0.00 N ATOM 983 CA PHE A 64 0.034 -8.496 2.915 1.00 0.00 C ATOM 984 C PHE A 64 0.964 -9.696 2.722 1.00 0.00 C ATOM 985 O PHE A 64 2.066 -9.725 3.268 1.00 0.00 O ATOM 986 CB PHE A 64 -0.409 -7.859 1.591 1.00 0.00 C ATOM 987 CG PHE A 64 0.695 -7.375 0.670 1.00 0.00 C ATOM 988 CD1 PHE A 64 1.300 -8.261 -0.240 1.00 0.00 C ATOM 989 CD2 PHE A 64 1.045 -6.012 0.647 1.00 0.00 C ATOM 990 CE1 PHE A 64 2.298 -7.799 -1.112 1.00 0.00 C ATOM 991 CE2 PHE A 64 2.011 -5.547 -0.261 1.00 0.00 C ATOM 992 CZ PHE A 64 2.651 -6.442 -1.130 1.00 0.00 C ATOM 0 H PHE A 64 1.624 -7.270 3.484 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.867 -8.873 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.012 -8.586 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.058 -7.014 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.996 -9.297 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.570 -5.322 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.797 -8.492 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.261 -4.497 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.412 -6.088 -1.810 1.00 0.00 H new ATOM 1002 N LYS A 65 0.516 -10.701 1.963 1.00 0.00 N ATOM 1003 CA LYS A 65 1.251 -11.925 1.684 1.00 0.00 C ATOM 1004 C LYS A 65 1.029 -12.280 0.218 1.00 0.00 C ATOM 1005 O LYS A 65 -0.039 -12.019 -0.330 1.00 0.00 O ATOM 1006 CB LYS A 65 0.730 -13.023 2.620 1.00 0.00 C ATOM 1007 CG LYS A 65 1.397 -14.393 2.465 1.00 0.00 C ATOM 1008 CD LYS A 65 0.971 -15.255 3.661 1.00 0.00 C ATOM 1009 CE LYS A 65 1.607 -16.648 3.625 1.00 0.00 C ATOM 1010 NZ LYS A 65 1.371 -17.365 4.894 1.00 0.00 N ATOM 0 H LYS A 65 -0.400 -10.678 1.514 1.00 0.00 H new ATOM 0 HA LYS A 65 2.321 -11.809 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.859 -12.690 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.341 -13.139 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.095 -14.862 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.482 -14.289 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.252 -14.753 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.115 -15.353 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.192 -17.221 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.679 -16.559 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.160 -18.018 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.303 -16.679 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.484 -17.904 4.828 1.00 0.00 H new ATOM 1024 N LEU A 66 2.029 -12.880 -0.424 1.00 0.00 N ATOM 1025 CA LEU A 66 1.913 -13.372 -1.788 1.00 0.00 C ATOM 1026 C LEU A 66 1.077 -14.656 -1.802 1.00 0.00 C ATOM 1027 O LEU A 66 1.599 -15.738 -2.059 1.00 0.00 O ATOM 1028 CB LEU A 66 3.309 -13.557 -2.409 1.00 0.00 C ATOM 1029 CG LEU A 66 4.331 -14.280 -1.507 1.00 0.00 C ATOM 1030 CD1 LEU A 66 5.157 -15.287 -2.317 1.00 0.00 C ATOM 1031 CD2 LEU A 66 5.291 -13.272 -0.853 1.00 0.00 C ATOM 0 H LEU A 66 2.946 -13.038 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 66 1.393 -12.641 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.206 -14.118 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.707 -12.577 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 66 3.769 -14.805 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.871 -15.784 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.493 -16.029 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.695 -14.764 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.003 -13.804 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.830 -12.727 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.722 -12.569 -0.245 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.222 -14.534 -1.517 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.161 -15.646 -1.471 1.00 0.00 C ATOM 1045 C GLY A 67 -2.032 -15.545 -0.223 1.00 0.00 C ATOM 1046 O GLY A 67 -1.886 -16.351 0.694 1.00 0.00 O ATOM 0 H GLY A 67 -0.656 -13.635 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.788 -15.640 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.618 -16.591 -1.469 1.00 0.00 H new ATOM 1050 N VAL A 68 -2.929 -14.556 -0.179 1.00 0.00 N ATOM 1051 CA VAL A 68 -3.896 -14.385 0.898 1.00 0.00 C ATOM 1052 C VAL A 68 -5.017 -13.461 0.416 1.00 0.00 C ATOM 1053 O VAL A 68 -4.849 -12.771 -0.591 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.187 -13.843 2.159 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -2.770 -12.377 1.988 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.029 -13.986 3.433 1.00 0.00 C ATOM 0 H VAL A 68 -3.001 -13.843 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.342 -15.342 1.170 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.297 -14.462 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.275 -12.031 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.085 -12.290 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.654 -11.767 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.475 -13.587 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.962 -13.434 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.250 -15.039 3.607 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.130 -13.424 1.156 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.132 -12.377 1.072 1.00 0.00 C ATOM 1068 C GLU A 69 -7.340 -11.823 2.479 1.00 0.00 C ATOM 1069 O GLU A 69 -7.350 -12.595 3.437 1.00 0.00 O ATOM 1070 CB GLU A 69 -8.439 -12.926 0.486 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.438 -11.789 0.241 1.00 0.00 C ATOM 1072 CD GLU A 69 -10.765 -12.302 -0.285 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.607 -12.729 0.536 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.039 -12.140 -1.495 1.00 0.00 O ATOM 0 H GLU A 69 -6.357 -14.142 1.844 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.800 -11.580 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.234 -13.446 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.872 -13.657 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.603 -11.244 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.014 -11.082 -0.472 1.00 0.00 H new ATOM 1081 N PHE A 70 -7.484 -10.502 2.613 1.00 0.00 N ATOM 1082 CA PHE A 70 -7.800 -9.846 3.874 1.00 0.00 C ATOM 1083 C PHE A 70 -8.443 -8.488 3.582 1.00 0.00 C ATOM 1084 O PHE A 70 -8.422 -8.020 2.439 1.00 0.00 O ATOM 1085 CB PHE A 70 -6.546 -9.723 4.763 1.00 0.00 C ATOM 1086 CG PHE A 70 -5.451 -8.830 4.208 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -4.713 -9.241 3.086 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -5.257 -7.537 4.726 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -3.863 -8.340 2.426 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -4.432 -6.623 4.047 1.00 0.00 C ATOM 1091 CZ PHE A 70 -3.762 -7.014 2.877 1.00 0.00 C ATOM 0 H PHE A 70 -7.382 -9.852 1.833 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.513 -10.450 4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.847 -9.340 5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.134 -10.719 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.800 -10.257 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.742 -7.246 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.287 -8.666 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.314 -5.619 4.426 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.171 -6.298 2.326 1.00 0.00 H new ATOM 1101 N ASP A 71 -9.038 -7.871 4.608 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.547 -6.513 4.514 1.00 0.00 C ATOM 1103 C ASP A 71 -8.367 -5.546 4.534 1.00 0.00 C ATOM 1104 O ASP A 71 -7.561 -5.572 5.462 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.508 -6.210 5.665 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.006 -4.775 5.570 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.206 -3.853 5.837 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.199 -4.592 5.246 1.00 0.00 O ATOM 0 H ASP A 71 -9.177 -8.304 5.521 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.102 -6.398 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.352 -6.898 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.005 -6.366 6.619 1.00 0.00 H new ATOM 1113 N GLU A 72 -8.280 -4.705 3.508 1.00 0.00 N ATOM 1114 CA GLU A 72 -7.273 -3.676 3.360 1.00 0.00 C ATOM 1115 C GLU A 72 -7.991 -2.324 3.389 1.00 0.00 C ATOM 1116 O GLU A 72 -7.917 -1.546 2.446 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.500 -3.980 2.067 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.230 -3.165 1.795 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.514 -3.690 0.552 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -5.149 -3.671 -0.526 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.353 -4.135 0.674 1.00 0.00 O ATOM 0 H GLU A 72 -8.938 -4.728 2.729 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.536 -3.647 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.227 -5.035 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.179 -3.835 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.487 -2.115 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.564 -3.220 2.656 1.00 0.00 H new ATOM 1128 N THR A 73 -8.707 -2.027 4.479 1.00 0.00 N ATOM 1129 CA THR A 73 -9.166 -0.667 4.735 1.00 0.00 C ATOM 1130 C THR A 73 -7.960 0.278 4.782 1.00 0.00 C ATOM 1131 O THR A 73 -7.219 0.262 5.763 1.00 0.00 O ATOM 1132 CB THR A 73 -10.000 -0.606 6.027 1.00 0.00 C ATOM 1133 OG1 THR A 73 -11.152 -1.413 5.917 1.00 0.00 O ATOM 1134 CG2 THR A 73 -10.503 0.803 6.325 1.00 0.00 C ATOM 0 H THR A 73 -8.977 -2.707 5.190 1.00 0.00 H new ATOM 0 HA THR A 73 -9.819 -0.344 3.924 1.00 0.00 H new ATOM 0 HB THR A 73 -9.336 -0.949 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.905 -2.354 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.086 0.794 7.246 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.653 1.476 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.130 1.147 5.502 1.00 0.00 H new ATOM 1142 N THR A 74 -7.759 1.098 3.744 1.00 0.00 N ATOM 1143 CA THR A 74 -6.615 1.999 3.656 1.00 0.00 C ATOM 1144 C THR A 74 -6.999 3.277 2.906 1.00 0.00 C ATOM 1145 O THR A 74 -7.669 3.220 1.878 1.00 0.00 O ATOM 1146 CB THR A 74 -5.411 1.265 3.041 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.239 2.023 3.240 1.00 0.00 O ATOM 1148 CG2 THR A 74 -5.566 0.945 1.551 1.00 0.00 C ATOM 0 H THR A 74 -8.388 1.152 2.943 1.00 0.00 H new ATOM 0 HA THR A 74 -6.311 2.312 4.655 1.00 0.00 H new ATOM 0 HB THR A 74 -5.348 0.306 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.928 2.376 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.675 0.428 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.438 0.308 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.696 1.871 0.991 1.00 0.00 H new ATOM 1156 N ALA A 75 -6.605 4.441 3.434 1.00 0.00 N ATOM 1157 CA ALA A 75 -6.988 5.754 2.922 1.00 0.00 C ATOM 1158 C ALA A 75 -6.740 5.916 1.420 1.00 0.00 C ATOM 1159 O ALA A 75 -7.514 6.582 0.734 1.00 0.00 O ATOM 1160 CB ALA A 75 -6.242 6.843 3.702 1.00 0.00 C ATOM 0 H ALA A 75 -5.995 4.493 4.250 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.064 5.852 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.527 7.824 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.500 6.775 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.167 6.705 3.582 1.00 0.00 H new ATOM 1166 N ASP A 76 -5.656 5.326 0.915 1.00 0.00 N ATOM 1167 CA ASP A 76 -5.233 5.422 -0.472 1.00 0.00 C ATOM 1168 C ASP A 76 -6.030 4.510 -1.411 1.00 0.00 C ATOM 1169 O ASP A 76 -5.760 4.519 -2.612 1.00 0.00 O ATOM 1170 CB ASP A 76 -3.734 5.110 -0.540 1.00 0.00 C ATOM 1171 CG ASP A 76 -3.406 3.735 0.010 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -3.583 3.599 1.245 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -2.960 2.880 -0.780 1.00 0.00 O ATOM 0 H ASP A 76 -5.033 4.752 1.482 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.429 6.436 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.399 5.174 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.182 5.864 0.021 1.00 0.00 H new ATOM 1178 N ASP A 77 -7.012 3.761 -0.893 1.00 0.00 N ATOM 1179 CA ASP A 77 -7.912 2.940 -1.695 1.00 0.00 C ATOM 1180 C ASP A 77 -9.360 3.182 -1.257 1.00 0.00 C ATOM 1181 O ASP A 77 -10.179 3.628 -2.059 1.00 0.00 O ATOM 1182 CB ASP A 77 -7.501 1.469 -1.572 1.00 0.00 C ATOM 1183 CG ASP A 77 -8.163 0.621 -2.646 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -9.410 0.599 -2.675 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -7.400 -0.029 -3.395 1.00 0.00 O ATOM 0 H ASP A 77 -7.201 3.711 0.108 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.843 3.215 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.417 1.383 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.777 1.093 -0.587 1.00 0.00 H new ATOM 1190 N ARG A 78 -9.614 2.952 0.041 1.00 0.00 N ATOM 1191 CA ARG A 78 -10.830 3.075 0.850 1.00 0.00 C ATOM 1192 C ARG A 78 -11.019 1.744 1.594 1.00 0.00 C ATOM 1193 O ARG A 78 -10.020 1.133 1.973 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.056 3.597 0.075 1.00 0.00 C ATOM 1195 CG ARG A 78 -11.900 5.103 -0.190 1.00 0.00 C ATOM 1196 CD ARG A 78 -12.782 5.556 -1.358 1.00 0.00 C ATOM 1197 NE ARG A 78 -12.724 7.017 -1.535 1.00 0.00 N ATOM 1198 CZ ARG A 78 -13.374 7.916 -0.781 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -14.182 7.511 0.205 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -13.200 9.218 -1.017 1.00 0.00 N ATOM 0 H ARG A 78 -8.850 2.626 0.632 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.715 3.868 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.157 3.061 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.965 3.411 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.166 5.662 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.857 5.330 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.458 5.063 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.813 5.250 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.142 7.374 -2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.306 6.515 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.674 8.198 0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.577 9.522 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.690 9.909 -0.449 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.258 1.300 1.851 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.522 -0.010 2.431 1.00 0.00 C ATOM 1216 C LYS A 79 -12.595 -1.022 1.297 1.00 0.00 C ATOM 1217 O LYS A 79 -13.476 -0.911 0.446 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.808 -0.002 3.268 1.00 0.00 C ATOM 1219 CG LYS A 79 -14.012 -1.386 3.903 1.00 0.00 C ATOM 1220 CD LYS A 79 -15.093 -1.345 4.989 1.00 0.00 C ATOM 1221 CE LYS A 79 -15.227 -2.695 5.708 1.00 0.00 C ATOM 1222 NZ LYS A 79 -13.965 -3.118 6.352 1.00 0.00 N ATOM 0 H LYS A 79 -13.099 1.844 1.660 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.717 -0.283 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.745 0.761 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.662 0.252 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.294 -2.104 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.073 -1.733 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.851 -0.569 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.049 -1.075 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.011 -2.626 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.539 -3.455 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.176 -3.775 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.360 -3.593 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.470 -2.284 6.727 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.684 -1.995 1.280 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.530 -2.876 0.138 1.00 0.00 C ATOM 1238 C VAL A 80 -10.991 -4.225 0.617 1.00 0.00 C ATOM 1239 O VAL A 80 -10.260 -4.258 1.605 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.609 -2.151 -0.854 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -9.249 -1.797 -0.246 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -10.402 -2.932 -2.139 1.00 0.00 C ATOM 0 H VAL A 80 -11.043 -2.188 2.050 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.471 -3.096 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.130 -1.224 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.639 -1.286 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.394 -1.143 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.744 -2.709 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.743 -2.372 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.951 -3.897 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.363 -3.088 -2.629 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.359 -5.331 -0.043 1.00 0.00 N ATOM 1253 CA LYS A 81 -10.734 -6.626 0.206 1.00 0.00 C ATOM 1254 C LYS A 81 -9.622 -6.856 -0.816 1.00 0.00 C ATOM 1255 O LYS A 81 -9.761 -6.500 -1.988 1.00 0.00 O ATOM 1256 CB LYS A 81 -11.744 -7.782 0.224 1.00 0.00 C ATOM 1257 CG LYS A 81 -12.590 -7.891 -1.051 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.812 -9.345 -1.489 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.487 -10.210 -0.416 1.00 0.00 C ATOM 1260 NZ LYS A 81 -13.488 -11.636 -0.800 1.00 0.00 N ATOM 0 H LYS A 81 -12.089 -5.349 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.301 -6.606 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.206 -8.718 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.408 -7.657 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.556 -7.414 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.100 -7.344 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.424 -9.355 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.851 -9.788 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.967 -10.087 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.512 -9.871 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.439 -11.908 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.805 -11.789 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.221 -12.217 0.020 1.00 0.00 H new ATOM 1274 N SER A 82 -8.521 -7.443 -0.355 1.00 0.00 N ATOM 1275 CA SER A 82 -7.258 -7.493 -1.065 1.00 0.00 C ATOM 1276 C SER A 82 -6.852 -8.946 -1.286 1.00 0.00 C ATOM 1277 O SER A 82 -6.132 -9.519 -0.474 1.00 0.00 O ATOM 1278 CB SER A 82 -6.237 -6.723 -0.226 1.00 0.00 C ATOM 1279 OG SER A 82 -6.220 -7.191 1.105 1.00 0.00 O ATOM 0 H SER A 82 -8.488 -7.910 0.551 1.00 0.00 H new ATOM 0 HA SER A 82 -7.327 -7.035 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.245 -6.830 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.478 -5.660 -0.238 1.00 0.00 H new ATOM 0 HG SER A 82 -5.302 -7.173 1.446 1.00 0.00 H new ATOM 1285 N ILE A 83 -7.308 -9.548 -2.385 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.908 -10.900 -2.745 1.00 0.00 C ATOM 1287 C ILE A 83 -5.607 -10.765 -3.530 1.00 0.00 C ATOM 1288 O ILE A 83 -5.605 -10.289 -4.666 1.00 0.00 O ATOM 1289 CB ILE A 83 -8.049 -11.670 -3.450 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -7.558 -12.860 -4.293 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -8.972 -10.776 -4.289 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -6.801 -13.902 -3.463 1.00 0.00 C ATOM 0 H ILE A 83 -7.958 -9.114 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.715 -11.526 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.638 -12.067 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.412 -13.336 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.908 -12.493 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.747 -11.386 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.436 -10.027 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.390 -10.278 -5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.479 -14.718 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.929 -13.437 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.456 -14.293 -2.685 1.00 0.00 H new ATOM 1304 N VAL A 84 -4.490 -11.111 -2.886 1.00 0.00 N ATOM 1305 CA VAL A 84 -3.155 -10.907 -3.417 1.00 0.00 C ATOM 1306 C VAL A 84 -2.367 -12.215 -3.428 1.00 0.00 C ATOM 1307 O VAL A 84 -2.490 -13.043 -2.526 1.00 0.00 O ATOM 1308 CB VAL A 84 -2.471 -9.719 -2.717 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -2.551 -9.770 -1.191 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -1.008 -9.573 -3.141 1.00 0.00 C ATOM 0 H VAL A 84 -4.496 -11.548 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.207 -10.616 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.036 -8.846 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.047 -8.900 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.596 -9.769 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.067 -10.678 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.562 -8.723 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.462 -10.481 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.956 -9.411 -4.218 1.00 0.00 H new ATOM 1320 N THR A 85 -1.611 -12.404 -4.510 1.00 0.00 N ATOM 1321 CA THR A 85 -1.213 -13.687 -5.067 1.00 0.00 C ATOM 1322 C THR A 85 0.006 -13.441 -5.959 1.00 0.00 C ATOM 1323 O THR A 85 0.345 -12.287 -6.210 1.00 0.00 O ATOM 1324 CB THR A 85 -2.395 -14.248 -5.887 1.00 0.00 C ATOM 1325 OG1 THR A 85 -3.256 -13.213 -6.338 1.00 0.00 O ATOM 1326 CG2 THR A 85 -3.243 -15.213 -5.055 1.00 0.00 C ATOM 0 H THR A 85 -1.242 -11.619 -5.047 1.00 0.00 H new ATOM 0 HA THR A 85 -0.955 -14.408 -4.291 1.00 0.00 H new ATOM 0 HB THR A 85 -1.952 -14.767 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.744 -12.384 -6.441 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.066 -15.590 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.625 -16.048 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.642 -14.690 -4.186 1.00 0.00 H new ATOM 1334 N LEU A 86 0.671 -14.495 -6.443 1.00 0.00 N ATOM 1335 CA LEU A 86 1.844 -14.376 -7.299 1.00 0.00 C ATOM 1336 C LEU A 86 1.775 -15.480 -8.349 1.00 0.00 C ATOM 1337 O LEU A 86 1.506 -16.625 -7.986 1.00 0.00 O ATOM 1338 CB LEU A 86 3.098 -14.450 -6.411 1.00 0.00 C ATOM 1339 CG LEU A 86 4.420 -13.972 -7.038 1.00 0.00 C ATOM 1340 CD1 LEU A 86 5.483 -13.838 -5.939 1.00 0.00 C ATOM 1341 CD2 LEU A 86 4.947 -14.910 -8.133 1.00 0.00 C ATOM 0 H LEU A 86 0.404 -15.460 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 86 1.883 -13.425 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.914 -13.859 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.228 -15.484 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 86 4.216 -13.011 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.421 -13.500 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.149 -13.114 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.635 -14.805 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.881 -14.514 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.123 -15.899 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.212 -14.983 -8.934 1.00 0.00 H new ATOM 1353 N ASP A 87 1.974 -15.139 -9.627 1.00 0.00 N ATOM 1354 CA ASP A 87 1.991 -16.089 -10.737 1.00 0.00 C ATOM 1355 C ASP A 87 3.152 -15.750 -11.670 1.00 0.00 C ATOM 1356 O ASP A 87 3.568 -14.594 -11.743 1.00 0.00 O ATOM 1357 CB ASP A 87 0.655 -16.088 -11.493 1.00 0.00 C ATOM 1358 CG ASP A 87 0.504 -14.883 -12.413 1.00 0.00 C ATOM 1359 OD1 ASP A 87 0.055 -13.831 -11.910 1.00 0.00 O ATOM 1360 OD2 ASP A 87 0.845 -15.022 -13.607 1.00 0.00 O ATOM 0 H ASP A 87 2.131 -14.175 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 87 2.131 -17.095 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.574 -17.002 -12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.165 -16.097 -10.775 1.00 0.00 H new ATOM 1365 N GLY A 88 3.698 -16.764 -12.350 1.00 0.00 N ATOM 1366 CA GLY A 88 4.839 -16.639 -13.249 1.00 0.00 C ATOM 1367 C GLY A 88 6.080 -16.123 -12.518 1.00 0.00 C ATOM 1368 O GLY A 88 6.951 -16.899 -12.133 1.00 0.00 O ATOM 0 H GLY A 88 3.345 -17.719 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.057 -17.608 -13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.588 -15.960 -14.064 1.00 0.00 H new ATOM 1372 N GLY A 89 6.141 -14.807 -12.322 1.00 0.00 N ATOM 1373 CA GLY A 89 7.131 -14.129 -11.502 1.00 0.00 C ATOM 1374 C GLY A 89 6.672 -12.708 -11.166 1.00 0.00 C ATOM 1375 O GLY A 89 7.501 -11.817 -11.004 1.00 0.00 O ATOM 0 H GLY A 89 5.474 -14.163 -12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.295 -14.691 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.085 -14.094 -12.029 1.00 0.00 H new ATOM 1379 N LYS A 90 5.354 -12.501 -11.065 1.00 0.00 N ATOM 1380 CA LYS A 90 4.726 -11.212 -10.825 1.00 0.00 C ATOM 1381 C LYS A 90 3.702 -11.387 -9.710 1.00 0.00 C ATOM 1382 O LYS A 90 3.037 -12.421 -9.635 1.00 0.00 O ATOM 1383 CB LYS A 90 4.080 -10.679 -12.113 1.00 0.00 C ATOM 1384 CG LYS A 90 3.160 -11.707 -12.780 1.00 0.00 C ATOM 1385 CD LYS A 90 2.460 -11.142 -14.017 1.00 0.00 C ATOM 1386 CE LYS A 90 1.529 -12.250 -14.527 1.00 0.00 C ATOM 1387 NZ LYS A 90 0.845 -11.918 -15.785 1.00 0.00 N ATOM 0 H LYS A 90 4.677 -13.259 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 90 5.469 -10.476 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.508 -9.780 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.862 -10.388 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.743 -12.583 -13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.411 -12.041 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.895 -10.243 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.186 -10.861 -14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.109 -13.162 -14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.781 -12.464 -13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.235 -12.711 -16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.265 -11.065 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.551 -11.742 -16.528 1.00 0.00 H new ATOM 1401 N LEU A 91 3.603 -10.390 -8.832 1.00 0.00 N ATOM 1402 CA LEU A 91 2.724 -10.392 -7.678 1.00 0.00 C ATOM 1403 C LEU A 91 1.449 -9.642 -8.049 1.00 0.00 C ATOM 1404 O LEU A 91 1.484 -8.435 -8.285 1.00 0.00 O ATOM 1405 CB LEU A 91 3.477 -9.819 -6.473 1.00 0.00 C ATOM 1406 CG LEU A 91 2.634 -9.826 -5.187 1.00 0.00 C ATOM 1407 CD1 LEU A 91 3.544 -9.915 -3.958 1.00 0.00 C ATOM 1408 CD2 LEU A 91 1.745 -8.576 -5.090 1.00 0.00 C ATOM 0 H LEU A 91 4.152 -9.534 -8.912 1.00 0.00 H new ATOM 0 HA LEU A 91 2.421 -11.397 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.386 -10.398 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.785 -8.797 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 91 1.985 -10.701 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.935 -9.919 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.130 -10.833 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.215 -9.056 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.163 -8.614 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.371 -7.684 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.070 -8.543 -5.945 1.00 0.00 H new ATOM 1420 N VAL A 92 0.330 -10.363 -8.127 1.00 0.00 N ATOM 1421 CA VAL A 92 -0.952 -9.858 -8.583 1.00 0.00 C ATOM 1422 C VAL A 92 -1.875 -9.656 -7.378 1.00 0.00 C ATOM 1423 O VAL A 92 -2.161 -10.601 -6.640 1.00 0.00 O ATOM 1424 CB VAL A 92 -1.519 -10.762 -9.696 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -0.475 -10.937 -10.810 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -1.961 -12.153 -9.226 1.00 0.00 C ATOM 0 H VAL A 92 0.297 -11.348 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.845 -8.877 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.413 -10.250 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.882 -11.577 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.225 -9.963 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.424 -11.396 -10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.346 -12.719 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.109 -12.679 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.743 -12.051 -8.473 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.286 -8.401 -7.163 1.00 0.00 N ATOM 1437 CA HIS A 93 -3.159 -7.921 -6.099 1.00 0.00 C ATOM 1438 C HIS A 93 -4.469 -7.501 -6.760 1.00 0.00 C ATOM 1439 O HIS A 93 -4.552 -6.413 -7.328 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.436 -6.762 -5.385 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.135 -5.978 -4.288 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -2.574 -4.866 -3.684 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -4.365 -6.188 -3.714 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.438 -4.401 -2.769 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.530 -5.182 -2.770 1.00 0.00 N ATOM 0 H HIS A 93 -1.992 -7.642 -7.777 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.385 -8.674 -5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.520 -7.169 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.138 -6.047 -6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -5.064 -6.977 -3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.281 -3.540 -2.136 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.348 -5.057 -2.174 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.477 -8.374 -6.700 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.832 -8.054 -7.106 1.00 0.00 C ATOM 1456 C VAL A 94 -7.525 -7.442 -5.888 1.00 0.00 C ATOM 1457 O VAL A 94 -7.371 -7.913 -4.759 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.532 -9.303 -7.664 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -9.013 -9.046 -7.949 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.874 -9.740 -8.974 1.00 0.00 C ATOM 0 H VAL A 94 -5.366 -9.331 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.861 -7.331 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.440 -10.080 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.471 -9.954 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.516 -8.756 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.109 -8.245 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.380 -10.626 -9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.948 -8.935 -9.705 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.824 -9.971 -8.794 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.204 -6.322 -6.115 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.503 -5.348 -5.084 1.00 0.00 C ATOM 1472 C GLN A 95 -9.964 -4.938 -5.236 1.00 0.00 C ATOM 1473 O GLN A 95 -10.271 -4.141 -6.120 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.514 -4.200 -5.333 1.00 0.00 C ATOM 1475 CG GLN A 95 -7.628 -2.989 -4.412 1.00 0.00 C ATOM 1476 CD GLN A 95 -7.095 -3.302 -3.018 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -7.102 -4.450 -2.579 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -6.518 -2.322 -2.349 1.00 0.00 N ATOM 0 H GLN A 95 -8.565 -6.067 -7.034 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.390 -5.710 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.502 -4.598 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.639 -3.859 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.073 -2.153 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.670 -2.678 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.521 -1.375 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.069 -2.511 -1.453 1.00 0.00 H new ATOM 1487 N LYS A 96 -10.859 -5.532 -4.435 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.301 -5.533 -4.672 1.00 0.00 C ATOM 1489 C LYS A 96 -13.045 -4.788 -3.563 1.00 0.00 C ATOM 1490 O LYS A 96 -12.967 -5.184 -2.400 1.00 0.00 O ATOM 1491 CB LYS A 96 -12.786 -6.984 -4.829 1.00 0.00 C ATOM 1492 CG LYS A 96 -14.102 -7.052 -5.607 1.00 0.00 C ATOM 1493 CD LYS A 96 -14.639 -8.486 -5.669 1.00 0.00 C ATOM 1494 CE LYS A 96 -15.783 -8.528 -6.690 1.00 0.00 C ATOM 1495 NZ LYS A 96 -16.471 -9.832 -6.738 1.00 0.00 N ATOM 0 H LYS A 96 -10.591 -6.034 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.518 -4.997 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.026 -7.569 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.920 -7.433 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.841 -6.405 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.949 -6.675 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.846 -9.176 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.994 -8.801 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.508 -7.751 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.388 -8.296 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.232 -9.797 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.791 -10.574 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.876 -10.046 -5.804 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.750 -3.705 -3.912 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.444 -2.854 -2.945 1.00 0.00 C ATOM 1511 C TRP A 97 -15.963 -2.990 -3.031 1.00 0.00 C ATOM 1512 O TRP A 97 -16.653 -2.763 -2.041 1.00 0.00 O ATOM 1513 CB TRP A 97 -13.988 -1.399 -3.086 1.00 0.00 C ATOM 1514 CG TRP A 97 -13.973 -0.835 -4.471 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.062 -0.537 -5.209 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -12.824 -0.470 -5.294 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -14.673 -0.014 -6.421 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.300 0.023 -6.543 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.428 -0.487 -5.104 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.437 0.440 -7.568 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -10.554 -0.025 -6.102 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.051 0.397 -7.348 1.00 0.00 C ATOM 0 H TRP A 97 -13.854 -3.395 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.170 -3.198 -1.948 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -14.638 -0.777 -2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.983 -1.315 -2.673 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.085 -0.686 -4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.321 0.307 -7.141 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.023 -0.862 -4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -12.833 0.788 -8.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -9.492 0.006 -5.911 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.369 0.687 -8.133 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.500 -3.366 -4.195 1.00 0.00 N ATOM 1534 CA ASN A 98 -17.915 -3.695 -4.324 1.00 0.00 C ATOM 1535 C ASN A 98 -18.057 -4.830 -5.334 1.00 0.00 C ATOM 1536 O ASN A 98 -17.276 -5.776 -5.277 1.00 0.00 O ATOM 1537 CB ASN A 98 -18.777 -2.442 -4.572 1.00 0.00 C ATOM 1538 CG ASN A 98 -18.593 -1.743 -5.919 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -17.842 -2.179 -6.788 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -19.314 -0.645 -6.124 1.00 0.00 N ATOM 0 H ASN A 98 -15.970 -3.449 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.321 -4.072 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -19.825 -2.724 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.566 -1.721 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -19.249 -0.151 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -19.933 -0.297 -5.391 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.013 -4.762 -6.262 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.070 -5.697 -7.373 1.00 0.00 C ATOM 1549 C GLY A 99 -17.754 -5.702 -8.156 1.00 0.00 C ATOM 1550 O GLY A 99 -17.316 -6.757 -8.612 1.00 0.00 O ATOM 0 H GLY A 99 -19.758 -4.065 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.278 -6.699 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.891 -5.428 -8.037 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.136 -4.525 -8.307 1.00 0.00 N ATOM 1555 CA GLN A 100 -15.941 -4.335 -9.115 1.00 0.00 C ATOM 1556 C GLN A 100 -14.668 -4.430 -8.271 1.00 0.00 C ATOM 1557 O GLN A 100 -14.704 -4.310 -7.041 1.00 0.00 O ATOM 1558 CB GLN A 100 -16.033 -2.976 -9.826 1.00 0.00 C ATOM 1559 CG GLN A 100 -15.406 -1.849 -8.991 1.00 0.00 C ATOM 1560 CD GLN A 100 -15.987 -0.485 -9.319 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -15.448 0.263 -10.132 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -17.065 -0.137 -8.627 1.00 0.00 N ATOM 0 H GLN A 100 -17.463 -3.668 -7.861 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.884 -5.132 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.529 -3.036 -10.791 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.078 -2.741 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.558 -2.059 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.330 -1.832 -9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.478 -0.792 -7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.480 0.785 -8.760 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.540 -4.553 -8.967 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.191 -4.528 -8.440 1.00 0.00 C ATOM 1573 C GLU A 101 -11.297 -3.628 -9.293 1.00 0.00 C ATOM 1574 O GLU A 101 -11.698 -3.164 -10.357 1.00 0.00 O ATOM 1575 CB GLU A 101 -11.622 -5.964 -8.401 1.00 0.00 C ATOM 1576 CG GLU A 101 -12.140 -6.869 -9.535 1.00 0.00 C ATOM 1577 CD GLU A 101 -12.012 -6.211 -10.905 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -10.879 -6.208 -11.426 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -13.043 -5.656 -11.354 1.00 0.00 O ATOM 0 H GLU A 101 -13.552 -4.681 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.216 -4.124 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.534 -5.915 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.873 -6.418 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.584 -7.807 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.185 -7.117 -9.350 1.00 0.00 H new ATOM 1586 N THR A 102 -10.071 -3.403 -8.828 1.00 0.00 N ATOM 1587 CA THR A 102 -8.935 -3.079 -9.676 1.00 0.00 C ATOM 1588 C THR A 102 -7.937 -4.237 -9.600 1.00 0.00 C ATOM 1589 O THR A 102 -7.920 -4.977 -8.611 1.00 0.00 O ATOM 1590 CB THR A 102 -8.328 -1.723 -9.281 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.112 -1.548 -9.971 1.00 0.00 O ATOM 1592 CG2 THR A 102 -8.019 -1.557 -7.796 1.00 0.00 C ATOM 0 H THR A 102 -9.839 -3.442 -7.836 1.00 0.00 H new ATOM 0 HA THR A 102 -9.245 -2.965 -10.715 1.00 0.00 H new ATOM 0 HB THR A 102 -9.089 -0.986 -9.538 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.235 -0.895 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.595 -0.568 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.937 -1.665 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.304 -2.319 -7.486 1.00 0.00 H new ATOM 1600 N SER A 103 -7.127 -4.403 -10.648 1.00 0.00 N ATOM 1601 CA SER A 103 -6.081 -5.406 -10.732 1.00 0.00 C ATOM 1602 C SER A 103 -4.725 -4.702 -10.741 1.00 0.00 C ATOM 1603 O SER A 103 -4.354 -4.094 -11.748 1.00 0.00 O ATOM 1604 CB SER A 103 -6.312 -6.268 -11.980 1.00 0.00 C ATOM 1605 OG SER A 103 -6.676 -5.482 -13.097 1.00 0.00 O ATOM 0 H SER A 103 -7.189 -3.821 -11.484 1.00 0.00 H new ATOM 0 HA SER A 103 -6.100 -6.073 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.405 -6.828 -12.209 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.095 -6.999 -11.778 1.00 0.00 H new ATOM 0 HG SER A 103 -5.869 -5.115 -13.515 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.993 -4.780 -9.622 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.667 -4.200 -9.479 1.00 0.00 C ATOM 1613 C LEU A 104 -1.631 -5.319 -9.592 1.00 0.00 C ATOM 1614 O LEU A 104 -1.541 -6.155 -8.693 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.514 -3.431 -8.157 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.682 -2.493 -7.813 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -4.729 -3.233 -6.970 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -3.181 -1.286 -7.007 1.00 0.00 C ATOM 0 H LEU A 104 -4.318 -5.257 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.511 -3.471 -10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.395 -4.151 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.597 -2.844 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.127 -2.156 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.550 -2.556 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.111 -4.086 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.270 -3.583 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.021 -0.632 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.720 -1.632 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.446 -0.736 -7.595 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.865 -5.358 -10.684 1.00 0.00 N ATOM 1631 CA VAL A 105 0.152 -6.379 -10.914 1.00 0.00 C ATOM 1632 C VAL A 105 1.543 -5.752 -10.776 1.00 0.00 C ATOM 1633 O VAL A 105 1.875 -4.826 -11.517 1.00 0.00 O ATOM 1634 CB VAL A 105 -0.102 -7.126 -12.240 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -1.523 -7.710 -12.250 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.053 -6.284 -13.510 1.00 0.00 C ATOM 0 H VAL A 105 -0.936 -4.675 -11.438 1.00 0.00 H new ATOM 0 HA VAL A 105 0.094 -7.157 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 105 0.672 -7.893 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.694 -8.236 -13.190 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.636 -8.406 -11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.249 -6.903 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.147 -6.904 -14.384 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.653 -5.454 -13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.069 -5.894 -13.566 1.00 0.00 H new ATOM 1646 N ARG A 106 2.316 -6.212 -9.781 1.00 0.00 N ATOM 1647 CA ARG A 106 3.688 -5.800 -9.505 1.00 0.00 C ATOM 1648 C ARG A 106 4.640 -6.798 -10.156 1.00 0.00 C ATOM 1649 O ARG A 106 4.498 -7.998 -9.925 1.00 0.00 O ATOM 1650 CB ARG A 106 3.974 -5.822 -7.992 1.00 0.00 C ATOM 1651 CG ARG A 106 3.258 -4.740 -7.179 1.00 0.00 C ATOM 1652 CD ARG A 106 3.652 -4.832 -5.693 1.00 0.00 C ATOM 1653 NE ARG A 106 3.924 -3.514 -5.092 1.00 0.00 N ATOM 1654 CZ ARG A 106 3.004 -2.579 -4.805 1.00 0.00 C ATOM 1655 NH1 ARG A 106 1.726 -2.786 -5.138 1.00 0.00 N ATOM 1656 NH2 ARG A 106 3.365 -1.446 -4.190 1.00 0.00 N ATOM 0 H ARG A 106 1.980 -6.913 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 106 3.826 -4.791 -9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.690 -6.798 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.048 -5.718 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.514 -3.755 -7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.179 -4.853 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.851 -5.321 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.537 -5.461 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 106 4.896 -3.293 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.455 -3.650 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.022 -2.080 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.341 -1.291 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.664 -0.738 -3.973 1.00 0.00 H new ATOM 1670 N GLU A 107 5.644 -6.319 -10.890 1.00 0.00 N ATOM 1671 CA GLU A 107 6.747 -7.150 -11.352 1.00 0.00 C ATOM 1672 C GLU A 107 8.014 -6.300 -11.330 1.00 0.00 C ATOM 1673 O GLU A 107 7.936 -5.109 -11.625 1.00 0.00 O ATOM 1674 CB GLU A 107 6.431 -7.666 -12.761 1.00 0.00 C ATOM 1675 CG GLU A 107 7.420 -8.739 -13.233 1.00 0.00 C ATOM 1676 CD GLU A 107 7.080 -9.241 -14.634 1.00 0.00 C ATOM 1677 OE1 GLU A 107 5.869 -9.388 -14.915 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.041 -9.458 -15.401 1.00 0.00 O ATOM 0 H GLU A 107 5.712 -5.343 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 107 6.893 -8.017 -10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.421 -8.077 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.445 -6.831 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.431 -8.330 -13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.411 -9.575 -12.534 1.00 0.00 H new ATOM 1685 N MET A 108 9.165 -6.882 -10.974 1.00 0.00 N ATOM 1686 CA MET A 108 10.457 -6.232 -11.125 1.00 0.00 C ATOM 1687 C MET A 108 11.314 -7.047 -12.076 1.00 0.00 C ATOM 1688 O MET A 108 11.710 -8.164 -11.753 1.00 0.00 O ATOM 1689 CB MET A 108 11.160 -6.029 -9.773 1.00 0.00 C ATOM 1690 CG MET A 108 12.557 -5.400 -9.920 1.00 0.00 C ATOM 1691 SD MET A 108 13.928 -6.502 -10.391 1.00 0.00 S ATOM 1692 CE MET A 108 15.280 -5.304 -10.364 1.00 0.00 C ATOM 0 H MET A 108 9.219 -7.818 -10.573 1.00 0.00 H new ATOM 0 HA MET A 108 10.301 -5.237 -11.542 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.544 -5.391 -9.139 1.00 0.00 H new ATOM 0 HB3 MET A 108 11.250 -6.990 -9.267 1.00 0.00 H new ATOM 0 HG2 MET A 108 12.492 -4.606 -10.664 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.815 -4.928 -8.972 1.00 0.00 H new ATOM 0 HE1 MET A 108 16.128 -5.700 -10.923 1.00 0.00 H new ATOM 0 HE2 MET A 108 14.948 -4.371 -10.820 1.00 0.00 H new ATOM 0 HE3 MET A 108 15.580 -5.118 -9.333 1.00 0.00 H new ATOM 1702 N VAL A 109 11.712 -6.415 -13.173 1.00 0.00 N ATOM 1703 CA VAL A 109 12.849 -6.804 -13.988 1.00 0.00 C ATOM 1704 C VAL A 109 13.732 -5.560 -14.079 1.00 0.00 C ATOM 1705 O VAL A 109 13.493 -4.603 -13.334 1.00 0.00 O ATOM 1706 CB VAL A 109 12.370 -7.362 -15.341 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.638 -8.694 -15.125 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.451 -6.386 -16.089 1.00 0.00 C ATOM 0 H VAL A 109 11.233 -5.588 -13.530 1.00 0.00 H new ATOM 0 HA VAL A 109 13.434 -7.619 -13.561 1.00 0.00 H new ATOM 0 HB VAL A 109 13.256 -7.513 -15.958 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.301 -9.084 -16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.315 -9.410 -14.660 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.777 -8.535 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.143 -6.830 -17.036 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.570 -6.178 -15.482 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.987 -5.456 -16.281 1.00 0.00 H new ATOM 1718 N ASP A 110 14.748 -5.574 -14.946 1.00 0.00 N ATOM 1719 CA ASP A 110 15.611 -4.423 -15.177 1.00 0.00 C ATOM 1720 C ASP A 110 16.118 -3.877 -13.829 1.00 0.00 C ATOM 1721 O ASP A 110 16.810 -4.595 -13.107 1.00 0.00 O ATOM 1722 CB ASP A 110 14.837 -3.426 -16.058 1.00 0.00 C ATOM 1723 CG ASP A 110 15.600 -2.137 -16.311 1.00 0.00 C ATOM 1724 OD1 ASP A 110 16.518 -2.163 -17.154 1.00 0.00 O ATOM 1725 OD2 ASP A 110 15.257 -1.166 -15.599 1.00 0.00 O ATOM 0 H ASP A 110 14.992 -6.390 -15.508 1.00 0.00 H new ATOM 0 HA ASP A 110 16.519 -4.675 -15.724 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.606 -3.898 -17.013 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.886 -3.190 -15.580 1.00 0.00 H new ATOM 1730 N GLY A 111 15.717 -2.665 -13.445 1.00 0.00 N ATOM 1731 CA GLY A 111 16.026 -2.023 -12.181 1.00 0.00 C ATOM 1732 C GLY A 111 14.789 -1.312 -11.635 1.00 0.00 C ATOM 1733 O GLY A 111 14.920 -0.408 -10.810 1.00 0.00 O ATOM 0 H GLY A 111 15.137 -2.079 -14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.374 -2.766 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.836 -1.307 -12.317 1.00 0.00 H new ATOM 1737 N LYS A 112 13.589 -1.700 -12.089 1.00 0.00 N ATOM 1738 CA LYS A 112 12.349 -1.011 -11.765 1.00 0.00 C ATOM 1739 C LYS A 112 11.240 -2.026 -11.524 1.00 0.00 C ATOM 1740 O LYS A 112 11.188 -3.066 -12.178 1.00 0.00 O ATOM 1741 CB LYS A 112 11.971 -0.018 -12.876 1.00 0.00 C ATOM 1742 CG LYS A 112 12.993 1.125 -12.954 1.00 0.00 C ATOM 1743 CD LYS A 112 12.366 2.435 -13.452 1.00 0.00 C ATOM 1744 CE LYS A 112 13.388 3.570 -13.279 1.00 0.00 C ATOM 1745 NZ LYS A 112 12.779 4.915 -13.302 1.00 0.00 N ATOM 0 H LYS A 112 13.459 -2.509 -12.696 1.00 0.00 H new ATOM 0 HA LYS A 112 12.491 -0.436 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.924 -0.537 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.978 0.388 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.431 1.286 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.806 0.838 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.079 2.342 -14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.458 2.656 -12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.915 3.434 -12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.133 3.503 -14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.864 5.318 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.774 4.845 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.269 5.530 -12.621 1.00 0.00 H new ATOM 1759 N LEU A 113 10.374 -1.716 -10.558 1.00 0.00 N ATOM 1760 CA LEU A 113 9.207 -2.497 -10.205 1.00 0.00 C ATOM 1761 C LEU A 113 8.037 -1.847 -10.931 1.00 0.00 C ATOM 1762 O LEU A 113 7.526 -0.813 -10.503 1.00 0.00 O ATOM 1763 CB LEU A 113 9.076 -2.545 -8.675 1.00 0.00 C ATOM 1764 CG LEU A 113 7.974 -3.462 -8.117 1.00 0.00 C ATOM 1765 CD1 LEU A 113 8.264 -3.727 -6.633 1.00 0.00 C ATOM 1766 CD2 LEU A 113 6.571 -2.856 -8.228 1.00 0.00 C ATOM 0 H LEU A 113 10.478 -0.880 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 113 9.260 -3.541 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.031 -2.865 -8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.894 -1.532 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 113 7.986 -4.376 -8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.491 -4.376 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.236 -4.211 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.271 -2.782 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.840 -3.553 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.534 -1.920 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.340 -2.664 -9.276 1.00 0.00 H new ATOM 1778 N ILE A 114 7.630 -2.412 -12.064 1.00 0.00 N ATOM 1779 CA ILE A 114 6.458 -1.922 -12.764 1.00 0.00 C ATOM 1780 C ILE A 114 5.243 -2.383 -11.964 1.00 0.00 C ATOM 1781 O ILE A 114 5.135 -3.571 -11.653 1.00 0.00 O ATOM 1782 CB ILE A 114 6.464 -2.350 -14.248 1.00 0.00 C ATOM 1783 CG1 ILE A 114 6.354 -3.864 -14.514 1.00 0.00 C ATOM 1784 CG2 ILE A 114 7.751 -1.828 -14.907 1.00 0.00 C ATOM 1785 CD1 ILE A 114 4.914 -4.333 -14.745 1.00 0.00 C ATOM 0 H ILE A 114 8.094 -3.203 -12.510 1.00 0.00 H new ATOM 0 HA ILE A 114 6.439 -0.834 -12.819 1.00 0.00 H new ATOM 0 HB ILE A 114 5.560 -1.916 -14.675 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.956 -4.118 -15.386 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.775 -4.407 -13.667 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.768 -2.123 -15.956 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.781 -0.741 -14.836 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.617 -2.249 -14.397 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.906 -5.408 -14.926 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.313 -4.109 -13.864 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.497 -3.816 -15.609 1.00 0.00 H new ATOM 1797 N LEU A 115 4.366 -1.449 -11.574 1.00 0.00 N ATOM 1798 CA LEU A 115 3.087 -1.760 -10.961 1.00 0.00 C ATOM 1799 C LEU A 115 2.005 -1.262 -11.916 1.00 0.00 C ATOM 1800 O LEU A 115 1.783 -0.060 -12.037 1.00 0.00 O ATOM 1801 CB LEU A 115 3.031 -1.182 -9.533 1.00 0.00 C ATOM 1802 CG LEU A 115 1.778 -1.492 -8.690 1.00 0.00 C ATOM 1803 CD1 LEU A 115 0.724 -0.393 -8.817 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.137 -2.851 -8.975 1.00 0.00 C ATOM 0 H LEU A 115 4.535 -0.449 -11.680 1.00 0.00 H new ATOM 0 HA LEU A 115 2.928 -2.829 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.902 -1.546 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.129 -0.099 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 115 2.150 -1.532 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.143 -0.649 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.142 0.553 -8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.420 -0.299 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.263 -2.982 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.833 -2.898 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.858 -3.643 -8.771 1.00 0.00 H new ATOM 1816 N THR A 116 1.369 -2.182 -12.645 1.00 0.00 N ATOM 1817 CA THR A 116 0.289 -1.857 -13.573 1.00 0.00 C ATOM 1818 C THR A 116 -1.032 -1.990 -12.826 1.00 0.00 C ATOM 1819 O THR A 116 -1.275 -3.038 -12.234 1.00 0.00 O ATOM 1820 CB THR A 116 0.378 -2.770 -14.802 1.00 0.00 C ATOM 1821 OG1 THR A 116 1.501 -2.385 -15.560 1.00 0.00 O ATOM 1822 CG2 THR A 116 -0.853 -2.700 -15.705 1.00 0.00 C ATOM 0 H THR A 116 1.591 -3.177 -12.606 1.00 0.00 H new ATOM 0 HA THR A 116 0.368 -0.834 -13.940 1.00 0.00 H new ATOM 0 HB THR A 116 0.452 -3.794 -14.435 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.575 -2.960 -16.350 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.720 -3.371 -16.554 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.736 -2.999 -15.140 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.982 -1.680 -16.066 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.858 -0.936 -12.831 1.00 0.00 N ATOM 1831 CA LEU A 117 -3.103 -0.853 -12.074 1.00 0.00 C ATOM 1832 C LEU A 117 -4.258 -0.718 -13.061 1.00 0.00 C ATOM 1833 O LEU A 117 -4.720 0.380 -13.385 1.00 0.00 O ATOM 1834 CB LEU A 117 -3.063 0.278 -11.030 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.502 1.601 -11.572 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.174 2.816 -10.938 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -1.004 1.719 -11.337 1.00 0.00 C ATOM 0 H LEU A 117 -1.669 -0.097 -13.379 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.248 -1.764 -11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.072 0.449 -10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.457 -0.043 -10.183 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.710 1.587 -12.642 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.744 3.728 -11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.243 2.791 -11.148 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.015 2.798 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.647 2.669 -11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.799 1.674 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.491 0.899 -11.840 1.00 0.00 H new ATOM 1849 N THR A 118 -4.735 -1.854 -13.556 1.00 0.00 N ATOM 1850 CA THR A 118 -5.800 -1.899 -14.537 1.00 0.00 C ATOM 1851 C THR A 118 -7.147 -1.806 -13.820 1.00 0.00 C ATOM 1852 O THR A 118 -7.442 -2.604 -12.932 1.00 0.00 O ATOM 1853 CB THR A 118 -5.657 -3.188 -15.368 1.00 0.00 C ATOM 1854 OG1 THR A 118 -4.900 -4.156 -14.667 1.00 0.00 O ATOM 1855 CG2 THR A 118 -4.930 -2.900 -16.685 1.00 0.00 C ATOM 0 H THR A 118 -4.388 -2.773 -13.283 1.00 0.00 H new ATOM 0 HA THR A 118 -5.740 -1.055 -15.224 1.00 0.00 H new ATOM 0 HB THR A 118 -6.663 -3.562 -15.560 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.822 -4.967 -15.211 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.838 -3.822 -17.259 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.497 -2.169 -17.261 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.937 -2.504 -16.473 1.00 0.00 H new ATOM 1863 N HIS A 119 -7.973 -0.823 -14.198 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.396 -0.862 -13.907 1.00 0.00 C ATOM 1865 C HIS A 119 -10.125 -0.213 -15.076 1.00 0.00 C ATOM 1866 O HIS A 119 -9.604 0.737 -15.656 1.00 0.00 O ATOM 1867 CB HIS A 119 -9.710 -0.144 -12.589 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.170 -0.203 -12.222 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -11.928 -1.354 -12.159 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -11.972 0.855 -11.880 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.174 -1.001 -11.811 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.225 0.329 -11.623 1.00 0.00 N ATOM 0 H HIS A 119 -7.671 0.008 -14.707 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.727 -1.893 -13.786 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.121 -0.591 -11.788 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.402 0.899 -12.667 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -11.600 -2.302 -12.344 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.683 1.894 -11.823 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.007 -1.680 -11.699 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.048 0.860 -11.339 1.00 0.00 H new ATOM 1881 N GLY A 120 -11.320 -0.717 -15.399 1.00 0.00 N ATOM 1882 CA GLY A 120 -12.127 -0.297 -16.539 1.00 0.00 C ATOM 1883 C GLY A 120 -12.207 1.219 -16.716 1.00 0.00 C ATOM 1884 O GLY A 120 -12.228 1.703 -17.843 1.00 0.00 O ATOM 0 H GLY A 120 -11.764 -1.455 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.714 -0.738 -17.446 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.136 -0.693 -16.423 1.00 0.00 H new ATOM 1888 N THR A 121 -12.248 1.967 -15.607 1.00 0.00 N ATOM 1889 CA THR A 121 -12.300 3.423 -15.651 1.00 0.00 C ATOM 1890 C THR A 121 -11.143 4.006 -16.476 1.00 0.00 C ATOM 1891 O THR A 121 -11.345 4.948 -17.239 1.00 0.00 O ATOM 1892 CB THR A 121 -12.375 4.002 -14.225 1.00 0.00 C ATOM 1893 OG1 THR A 121 -12.912 5.304 -14.280 1.00 0.00 O ATOM 1894 CG2 THR A 121 -11.026 4.036 -13.495 1.00 0.00 C ATOM 0 H THR A 121 -12.246 1.579 -14.664 1.00 0.00 H new ATOM 0 HA THR A 121 -13.212 3.723 -16.167 1.00 0.00 H new ATOM 0 HB THR A 121 -13.017 3.333 -13.652 1.00 0.00 H new ATOM 0 HG1 THR A 121 -12.630 5.808 -13.488 1.00 0.00 H new ATOM 0 HG21 THR A 121 -11.162 4.456 -12.499 1.00 0.00 H new ATOM 0 HG22 THR A 121 -10.632 3.023 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 121 -10.324 4.653 -14.056 1.00 0.00 H new ATOM 1902 N ALA A 122 -9.930 3.454 -16.329 1.00 0.00 N ATOM 1903 CA ALA A 122 -8.738 3.965 -16.986 1.00 0.00 C ATOM 1904 C ALA A 122 -7.568 2.997 -16.793 1.00 0.00 C ATOM 1905 O ALA A 122 -7.224 2.634 -15.667 1.00 0.00 O ATOM 1906 CB ALA A 122 -8.368 5.343 -16.422 1.00 0.00 C ATOM 0 H ALA A 122 -9.757 2.636 -15.745 1.00 0.00 H new ATOM 0 HA ALA A 122 -8.947 4.062 -18.051 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -7.474 5.713 -16.923 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.191 6.038 -16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.176 5.259 -15.352 1.00 0.00 H new ATOM 1912 N VAL A 123 -6.899 2.625 -17.886 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.612 1.943 -17.831 1.00 0.00 C ATOM 1914 C VAL A 123 -4.578 2.908 -17.235 1.00 0.00 C ATOM 1915 O VAL A 123 -4.507 4.066 -17.652 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.238 1.443 -19.239 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -5.020 2.569 -20.262 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -3.993 0.552 -19.185 1.00 0.00 C ATOM 0 H VAL A 123 -7.238 2.790 -18.834 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.650 1.063 -17.189 1.00 0.00 H new ATOM 0 HB VAL A 123 -6.098 0.868 -19.582 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -4.760 2.137 -21.228 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -5.935 3.154 -20.360 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.210 3.216 -19.924 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -3.747 0.210 -20.190 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.156 1.121 -18.780 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -4.189 -0.309 -18.547 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.823 2.495 -16.208 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.843 3.355 -15.545 1.00 0.00 C ATOM 1930 C CYS A 124 -1.646 2.489 -15.118 1.00 0.00 C ATOM 1931 O CYS A 124 -1.830 1.287 -14.900 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.496 4.039 -14.331 1.00 0.00 C ATOM 1933 SG CYS A 124 -5.104 4.814 -14.698 1.00 0.00 S ATOM 0 H CYS A 124 -3.877 1.555 -15.816 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.494 4.135 -16.222 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.631 3.302 -13.540 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -2.817 4.799 -13.946 1.00 0.00 H new ATOM 0 HG CYS A 124 -4.976 6.108 -14.682 1.00 0.00 H new ATOM 1939 N THR A 125 -0.436 3.058 -15.001 1.00 0.00 N ATOM 1940 CA THR A 125 0.735 2.311 -14.522 1.00 0.00 C ATOM 1941 C THR A 125 1.613 3.169 -13.608 1.00 0.00 C ATOM 1942 O THR A 125 2.099 4.213 -14.043 1.00 0.00 O ATOM 1943 CB THR A 125 1.581 1.736 -15.674 1.00 0.00 C ATOM 1944 OG1 THR A 125 2.182 2.755 -16.441 1.00 0.00 O ATOM 1945 CG2 THR A 125 0.784 0.838 -16.620 1.00 0.00 C ATOM 0 H THR A 125 -0.244 4.033 -15.232 1.00 0.00 H new ATOM 0 HA THR A 125 0.342 1.472 -13.947 1.00 0.00 H new ATOM 0 HB THR A 125 2.345 1.133 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.362 3.531 -15.870 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.440 0.467 -17.408 1.00 0.00 H new ATOM 0 HG22 THR A 125 0.373 -0.004 -16.063 1.00 0.00 H new ATOM 0 HG23 THR A 125 -0.030 1.410 -17.065 1.00 0.00 H new ATOM 1953 N ARG A 126 1.851 2.683 -12.387 1.00 0.00 N ATOM 1954 CA ARG A 126 2.721 3.268 -11.382 1.00 0.00 C ATOM 1955 C ARG A 126 4.084 2.576 -11.491 1.00 0.00 C ATOM 1956 O ARG A 126 4.252 1.434 -11.065 1.00 0.00 O ATOM 1957 CB ARG A 126 2.096 3.057 -9.990 1.00 0.00 C ATOM 1958 CG ARG A 126 0.964 4.053 -9.681 1.00 0.00 C ATOM 1959 CD ARG A 126 0.309 3.746 -8.323 1.00 0.00 C ATOM 1960 NE ARG A 126 -1.041 4.329 -8.217 1.00 0.00 N ATOM 1961 CZ ARG A 126 -1.858 4.191 -7.157 1.00 0.00 C ATOM 1962 NH1 ARG A 126 -1.406 3.622 -6.034 1.00 0.00 N ATOM 1963 NH2 ARG A 126 -3.125 4.619 -7.224 1.00 0.00 N ATOM 0 H ARG A 126 1.413 1.821 -12.062 1.00 0.00 H new ATOM 0 HA ARG A 126 2.846 4.340 -11.534 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.707 2.041 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.873 3.152 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.361 5.068 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.212 4.009 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.250 2.666 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.936 4.136 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.381 4.878 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.442 3.293 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.025 3.517 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.473 5.051 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.742 4.513 -6.419 1.00 0.00 H new ATOM 1977 N THR A 127 5.065 3.238 -12.095 1.00 0.00 N ATOM 1978 CA THR A 127 6.408 2.714 -12.264 1.00 0.00 C ATOM 1979 C THR A 127 7.239 3.003 -11.007 1.00 0.00 C ATOM 1980 O THR A 127 7.573 4.158 -10.739 1.00 0.00 O ATOM 1981 CB THR A 127 6.984 3.360 -13.533 1.00 0.00 C ATOM 1982 OG1 THR A 127 6.465 4.671 -13.680 1.00 0.00 O ATOM 1983 CG2 THR A 127 6.545 2.579 -14.772 1.00 0.00 C ATOM 0 H THR A 127 4.943 4.172 -12.487 1.00 0.00 H new ATOM 0 HA THR A 127 6.418 1.631 -12.386 1.00 0.00 H new ATOM 0 HB THR A 127 8.070 3.367 -13.440 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.836 5.081 -14.489 1.00 0.00 H new ATOM 0 HG21 THR A 127 6.960 3.048 -15.664 1.00 0.00 H new ATOM 0 HG22 THR A 127 6.904 1.552 -14.701 1.00 0.00 H new ATOM 0 HG23 THR A 127 5.457 2.579 -14.835 1.00 0.00 H new ATOM 1991 N TYR A 128 7.572 1.966 -10.230 1.00 0.00 N ATOM 1992 CA TYR A 128 8.419 2.090 -9.051 1.00 0.00 C ATOM 1993 C TYR A 128 9.889 1.834 -9.392 1.00 0.00 C ATOM 1994 O TYR A 128 10.216 1.046 -10.277 1.00 0.00 O ATOM 1995 CB TYR A 128 7.929 1.169 -7.928 1.00 0.00 C ATOM 1996 CG TYR A 128 6.829 1.762 -7.074 1.00 0.00 C ATOM 1997 CD1 TYR A 128 7.173 2.630 -6.027 1.00 0.00 C ATOM 1998 CD2 TYR A 128 5.477 1.448 -7.307 1.00 0.00 C ATOM 1999 CE1 TYR A 128 6.183 3.152 -5.185 1.00 0.00 C ATOM 2000 CE2 TYR A 128 4.481 1.967 -6.459 1.00 0.00 C ATOM 2001 CZ TYR A 128 4.836 2.824 -5.403 1.00 0.00 C ATOM 2002 OH TYR A 128 3.877 3.314 -4.567 1.00 0.00 O ATOM 0 H TYR A 128 7.256 1.013 -10.408 1.00 0.00 H new ATOM 0 HA TYR A 128 8.348 3.116 -8.691 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.570 0.238 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.774 0.915 -7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.207 2.897 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.204 0.810 -8.135 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.456 3.806 -4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 128 3.445 1.707 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 128 2.997 2.994 -4.856 1.00 0.00 H new ATOM 2012 N GLU A 129 10.774 2.518 -8.668 1.00 0.00 N ATOM 2013 CA GLU A 129 12.209 2.596 -8.876 1.00 0.00 C ATOM 2014 C GLU A 129 12.873 2.408 -7.512 1.00 0.00 C ATOM 2015 O GLU A 129 12.547 3.136 -6.577 1.00 0.00 O ATOM 2016 CB GLU A 129 12.481 3.993 -9.450 1.00 0.00 C ATOM 2017 CG GLU A 129 13.953 4.404 -9.531 1.00 0.00 C ATOM 2018 CD GLU A 129 14.041 5.831 -10.047 1.00 0.00 C ATOM 2019 OE1 GLU A 129 13.909 5.995 -11.282 1.00 0.00 O ATOM 2020 OE2 GLU A 129 14.161 6.732 -9.189 1.00 0.00 O ATOM 0 H GLU A 129 10.479 3.071 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 129 12.597 1.840 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.053 4.043 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.952 4.725 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 129 14.419 4.330 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.496 3.730 -10.193 1.00 0.00 H new ATOM 2027 N LYS A 130 13.761 1.423 -7.360 1.00 0.00 N ATOM 2028 CA LYS A 130 14.385 1.160 -6.069 1.00 0.00 C ATOM 2029 C LYS A 130 15.451 2.219 -5.784 1.00 0.00 C ATOM 2030 O LYS A 130 16.309 2.447 -6.633 1.00 0.00 O ATOM 2031 CB LYS A 130 14.982 -0.258 -6.035 1.00 0.00 C ATOM 2032 CG LYS A 130 14.860 -0.861 -4.629 1.00 0.00 C ATOM 2033 CD LYS A 130 15.299 -2.332 -4.608 1.00 0.00 C ATOM 2034 CE LYS A 130 15.056 -2.915 -3.210 1.00 0.00 C ATOM 2035 NZ LYS A 130 15.286 -4.372 -3.143 1.00 0.00 N ATOM 0 H LYS A 130 14.060 0.801 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 130 13.627 1.216 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.466 -0.893 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.030 -0.225 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.471 -0.288 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.828 -0.783 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.742 -2.900 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.354 -2.412 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.711 -2.416 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.031 -2.700 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.206 -4.691 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.577 -4.863 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.238 -4.590 -3.501 1.00 0.00 H new ATOM 2049 N GLN A 131 15.431 2.831 -4.592 1.00 0.00 N ATOM 2050 CA GLN A 131 16.578 3.592 -4.090 1.00 0.00 C ATOM 2051 C GLN A 131 17.234 2.913 -2.885 1.00 0.00 C ATOM 2052 O GLN A 131 18.393 3.187 -2.589 1.00 0.00 O ATOM 2053 CB GLN A 131 16.242 5.071 -3.840 1.00 0.00 C ATOM 2054 CG GLN A 131 15.471 5.393 -2.551 1.00 0.00 C ATOM 2055 CD GLN A 131 14.037 5.817 -2.828 1.00 0.00 C ATOM 2056 OE1 GLN A 131 13.101 4.882 -2.748 1.00 0.00 O flip ATOM 2057 NE2 GLN A 131 13.776 6.980 -3.120 1.00 0.00 N flip ATOM 0 H GLN A 131 14.632 2.812 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 131 17.326 3.593 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 131 17.175 5.635 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 131 15.659 5.436 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.470 4.517 -1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.985 6.188 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.523 7.673 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.812 7.254 -3.311 1.00 0.00 H new ATOM 2066 N ALA A 132 16.509 2.037 -2.176 1.00 0.00 N ATOM 2067 CA ALA A 132 17.032 1.343 -1.004 1.00 0.00 C ATOM 2068 C ALA A 132 17.620 2.331 0.007 1.00 0.00 C ATOM 2069 O ALA A 132 16.885 2.856 0.841 1.00 0.00 O ATOM 2070 CB ALA A 132 18.054 0.278 -1.418 1.00 0.00 C ATOM 2071 OXT ALA A 132 18.967 2.631 -0.019 1.00 0.00 O ATOM 0 H ALA A 132 15.545 1.794 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 132 16.204 0.833 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 132 18.432 -0.228 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 132 17.576 -0.449 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 132 18.882 0.753 -1.945 1.00 0.00 H new