USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 833 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 4 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.027) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.45) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.4) USER MOD Single : A 18 SER OG : rot 180:sc= -0.036 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0804 K(o=-0.08,f=-3.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 53:sc= 1.23 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0084 X(o=-0.0084,f=-0.16) USER MOD Single : A 49 THR OG1 : rot 74:sc= 0.0443 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.023) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -8:sc= 0.0975 USER MOD Single : A 61 SER OG : rot -130:sc= 0.0146 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.26) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 85 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.120 8.197 -9.514 1.00 23.45 N ATOM 2 CA MET A 1 2.748 8.082 -10.918 1.00 74.25 C ATOM 3 C MET A 1 1.993 6.781 -11.177 1.00 62.50 C ATOM 4 O MET A 1 2.548 5.832 -11.729 1.00 65.15 O ATOM 5 CB MET A 1 3.991 8.149 -11.805 1.00 64.33 C ATOM 6 CG MET A 1 3.679 8.369 -13.277 1.00 35.40 C ATOM 7 SD MET A 1 5.073 9.055 -14.189 1.00 70.30 S ATOM 8 CE MET A 1 5.144 7.940 -15.589 1.00 3.54 C ATOM 0 H1 MET A 1 3.632 9.089 -9.363 1.00 23.45 H new ATOM 0 H2 MET A 1 2.263 8.186 -8.926 1.00 23.45 H new ATOM 0 H3 MET A 1 3.731 7.398 -9.250 1.00 23.45 H new ATOM 0 HA MET A 1 2.091 8.917 -11.162 1.00 74.25 H new ATOM 0 HB2 MET A 1 4.634 8.956 -11.454 1.00 64.33 H new ATOM 0 HB3 MET A 1 4.555 7.222 -11.696 1.00 64.33 H new ATOM 0 HG2 MET A 1 3.387 7.421 -13.728 1.00 35.40 H new ATOM 0 HG3 MET A 1 2.826 9.041 -13.367 1.00 35.40 H new ATOM 0 HE1 MET A 1 5.960 8.235 -16.248 1.00 3.54 H new ATOM 0 HE2 MET A 1 5.313 6.923 -15.236 1.00 3.54 H new ATOM 0 HE3 MET A 1 4.202 7.983 -16.136 1.00 3.54 H new ATOM 18 N GLN A 2 0.728 6.745 -10.772 1.00 40.31 N ATOM 19 CA GLN A 2 -0.100 5.559 -10.960 1.00 0.21 C ATOM 20 C GLN A 2 -1.398 5.911 -11.679 1.00 64.11 C ATOM 21 O GLN A 2 -1.837 7.060 -11.661 1.00 61.32 O ATOM 22 CB GLN A 2 -0.411 4.911 -9.609 1.00 62.34 C ATOM 23 CG GLN A 2 0.824 4.427 -8.868 1.00 43.03 C ATOM 24 CD GLN A 2 1.427 3.181 -9.488 1.00 52.14 C ATOM 25 OE1 GLN A 2 2.383 3.257 -10.259 1.00 53.45 O ATOM 26 NE2 GLN A 2 0.869 2.024 -9.152 1.00 72.45 N ATOM 0 H GLN A 2 0.254 7.522 -10.312 1.00 40.31 H new ATOM 0 HA GLN A 2 0.455 4.851 -11.576 1.00 0.21 H new ATOM 0 HB2 GLN A 2 -0.941 5.630 -8.984 1.00 62.34 H new ATOM 0 HB3 GLN A 2 -1.084 4.068 -9.766 1.00 62.34 H new ATOM 0 HG2 GLN A 2 1.571 5.221 -8.858 1.00 43.03 H new ATOM 0 HG3 GLN A 2 0.563 4.222 -7.830 1.00 43.03 H new ATOM 0 HE21 GLN A 2 0.077 2.007 -8.509 1.00 72.45 H new ATOM 0 HE22 GLN A 2 1.232 1.152 -9.537 1.00 72.45 H new ATOM 35 N GLU A 3 -2.006 4.912 -12.313 1.00 62.41 N ATOM 36 CA GLU A 3 -3.254 5.117 -13.040 1.00 63.20 C ATOM 37 C GLU A 3 -4.361 4.227 -12.482 1.00 65.12 C ATOM 38 O GLU A 3 -4.090 3.209 -11.846 1.00 61.34 O ATOM 39 CB GLU A 3 -3.054 4.829 -14.530 1.00 0.21 C ATOM 40 CG GLU A 3 -2.355 5.952 -15.278 1.00 30.10 C ATOM 41 CD GLU A 3 -0.968 6.238 -14.737 1.00 3.22 C ATOM 42 OE1 GLU A 3 -0.157 5.291 -14.654 1.00 11.23 O ATOM 43 OE2 GLU A 3 -0.692 7.408 -14.396 1.00 32.21 O ATOM 0 H GLU A 3 -1.655 3.955 -12.338 1.00 62.41 H new ATOM 0 HA GLU A 3 -3.552 6.158 -12.915 1.00 63.20 H new ATOM 0 HB2 GLU A 3 -2.473 3.914 -14.640 1.00 0.21 H new ATOM 0 HB3 GLU A 3 -4.025 4.647 -14.990 1.00 0.21 H new ATOM 0 HG2 GLU A 3 -2.282 5.690 -16.334 1.00 30.10 H new ATOM 0 HG3 GLU A 3 -2.959 6.857 -15.215 1.00 30.10 H new ATOM 50 N GLN A 4 -5.606 4.620 -12.726 1.00 74.55 N ATOM 51 CA GLN A 4 -6.754 3.859 -12.248 1.00 72.51 C ATOM 52 C GLN A 4 -8.017 4.236 -13.016 1.00 41.44 C ATOM 53 O GLN A 4 -8.272 5.414 -13.271 1.00 65.03 O ATOM 54 CB GLN A 4 -6.963 4.096 -10.752 1.00 71.25 C ATOM 55 CG GLN A 4 -7.710 2.970 -10.055 1.00 70.11 C ATOM 56 CD GLN A 4 -6.846 1.744 -9.837 1.00 43.34 C ATOM 57 OE1 GLN A 4 -7.108 0.678 -10.396 1.00 43.22 O ATOM 58 NE2 GLN A 4 -5.808 1.888 -9.022 1.00 25.11 N ATOM 0 H GLN A 4 -5.846 5.461 -13.252 1.00 74.55 H new ATOM 0 HA GLN A 4 -6.551 2.801 -12.416 1.00 72.51 H new ATOM 0 HB2 GLN A 4 -5.992 4.227 -10.274 1.00 71.25 H new ATOM 0 HB3 GLN A 4 -7.514 5.026 -10.614 1.00 71.25 H new ATOM 0 HG2 GLN A 4 -8.079 3.325 -9.093 1.00 70.11 H new ATOM 0 HG3 GLN A 4 -8.581 2.695 -10.649 1.00 70.11 H new ATOM 0 HE21 GLN A 4 -5.628 2.789 -8.580 1.00 25.11 H new ATOM 0 HE22 GLN A 4 -5.191 1.097 -8.838 1.00 25.11 H new ATOM 67 N VAL A 5 -8.804 3.230 -13.383 1.00 0.30 N ATOM 68 CA VAL A 5 -10.040 3.457 -14.122 1.00 55.43 C ATOM 69 C VAL A 5 -11.206 2.707 -13.486 1.00 25.31 C ATOM 70 O VAL A 5 -11.050 1.579 -13.019 1.00 12.35 O ATOM 71 CB VAL A 5 -9.904 3.021 -15.592 1.00 75.25 C ATOM 72 CG1 VAL A 5 -11.131 3.438 -16.389 1.00 43.24 C ATOM 73 CG2 VAL A 5 -8.638 3.601 -16.205 1.00 10.22 C ATOM 0 H VAL A 5 -8.608 2.250 -13.181 1.00 0.30 H new ATOM 0 HA VAL A 5 -10.238 4.528 -14.086 1.00 55.43 H new ATOM 0 HB VAL A 5 -9.831 1.934 -15.625 1.00 75.25 H new ATOM 0 HG11 VAL A 5 -11.016 3.121 -17.426 1.00 43.24 H new ATOM 0 HG12 VAL A 5 -12.018 2.970 -15.962 1.00 43.24 H new ATOM 0 HG13 VAL A 5 -11.239 4.522 -16.351 1.00 43.24 H new ATOM 0 HG21 VAL A 5 -8.558 3.282 -17.244 1.00 10.22 H new ATOM 0 HG22 VAL A 5 -8.678 4.689 -16.161 1.00 10.22 H new ATOM 0 HG23 VAL A 5 -7.770 3.247 -15.649 1.00 10.22 H new ATOM 83 N SER A 6 -12.374 3.340 -13.474 1.00 13.23 N ATOM 84 CA SER A 6 -13.567 2.734 -12.893 1.00 62.11 C ATOM 85 C SER A 6 -13.997 1.508 -13.693 1.00 61.13 C ATOM 86 O SER A 6 -14.602 1.628 -14.757 1.00 1.50 O ATOM 87 CB SER A 6 -14.709 3.750 -12.842 1.00 42.02 C ATOM 88 OG SER A 6 -15.841 3.212 -12.183 1.00 71.42 O ATOM 0 H SER A 6 -12.520 4.273 -13.860 1.00 13.23 H new ATOM 0 HA SER A 6 -13.326 2.419 -11.878 1.00 62.11 H new ATOM 0 HB2 SER A 6 -14.377 4.650 -12.324 1.00 42.02 H new ATOM 0 HB3 SER A 6 -14.981 4.047 -13.855 1.00 42.02 H new ATOM 0 HG SER A 6 -16.556 3.882 -12.162 1.00 71.42 H new ATOM 94 N ASN A 7 -13.680 0.328 -13.171 1.00 24.32 N ATOM 95 CA ASN A 7 -14.032 -0.922 -13.837 1.00 13.13 C ATOM 96 C ASN A 7 -14.606 -1.925 -12.840 1.00 14.10 C ATOM 97 O ASN A 7 -14.370 -1.826 -11.636 1.00 44.03 O ATOM 98 CB ASN A 7 -12.806 -1.519 -14.529 1.00 74.42 C ATOM 99 CG ASN A 7 -12.303 -0.649 -15.665 1.00 51.51 C ATOM 100 OD1 ASN A 7 -11.158 -0.195 -15.654 1.00 14.22 O ATOM 101 ND2 ASN A 7 -13.158 -0.412 -16.653 1.00 21.45 N ATOM 0 H ASN A 7 -13.180 0.210 -12.290 1.00 24.32 H new ATOM 0 HA ASN A 7 -14.793 -0.704 -14.587 1.00 13.13 H new ATOM 0 HB2 ASN A 7 -12.009 -1.654 -13.798 1.00 74.42 H new ATOM 0 HB3 ASN A 7 -13.055 -2.508 -14.915 1.00 74.42 H new ATOM 0 HD21 ASN A 7 -12.876 0.167 -17.444 1.00 21.45 H new ATOM 0 HD22 ASN A 7 -14.097 -0.809 -16.621 1.00 21.45 H new ATOM 108 N VAL A 8 -15.362 -2.892 -13.351 1.00 43.24 N ATOM 109 CA VAL A 8 -15.968 -3.915 -12.508 1.00 12.03 C ATOM 110 C VAL A 8 -15.315 -5.274 -12.734 1.00 44.43 C ATOM 111 O VAL A 8 -14.513 -5.442 -13.654 1.00 5.14 O ATOM 112 CB VAL A 8 -17.481 -4.035 -12.771 1.00 71.41 C ATOM 113 CG1 VAL A 8 -18.198 -2.756 -12.364 1.00 23.41 C ATOM 114 CG2 VAL A 8 -17.743 -4.360 -14.234 1.00 25.23 C ATOM 0 H VAL A 8 -15.569 -2.988 -14.345 1.00 43.24 H new ATOM 0 HA VAL A 8 -15.809 -3.607 -11.475 1.00 12.03 H new ATOM 0 HB VAL A 8 -17.873 -4.851 -12.165 1.00 71.41 H new ATOM 0 HG11 VAL A 8 -19.266 -2.860 -12.557 1.00 23.41 H new ATOM 0 HG12 VAL A 8 -18.038 -2.571 -11.302 1.00 23.41 H new ATOM 0 HG13 VAL A 8 -17.805 -1.919 -12.941 1.00 23.41 H new ATOM 0 HG21 VAL A 8 -18.817 -4.441 -14.402 1.00 25.23 H new ATOM 0 HG22 VAL A 8 -17.337 -3.567 -14.861 1.00 25.23 H new ATOM 0 HG23 VAL A 8 -17.264 -5.305 -14.488 1.00 25.23 H new ATOM 124 N ARG A 9 -15.663 -6.240 -11.891 1.00 62.25 N ATOM 125 CA ARG A 9 -15.109 -7.584 -11.999 1.00 32.20 C ATOM 126 C ARG A 9 -16.214 -8.634 -11.939 1.00 32.31 C ATOM 127 O ARG A 9 -17.243 -8.430 -11.294 1.00 40.14 O ATOM 128 CB ARG A 9 -14.094 -7.832 -10.881 1.00 63.45 C ATOM 129 CG ARG A 9 -12.698 -7.324 -11.203 1.00 33.21 C ATOM 130 CD ARG A 9 -12.519 -5.877 -10.772 1.00 52.51 C ATOM 131 NE ARG A 9 -11.265 -5.310 -11.264 1.00 32.05 N ATOM 132 CZ ARG A 9 -10.074 -5.617 -10.762 1.00 11.23 C ATOM 133 NH1 ARG A 9 -9.975 -6.479 -9.759 1.00 71.42 N ATOM 134 NH2 ARG A 9 -8.979 -5.060 -11.262 1.00 42.22 N ATOM 0 H ARG A 9 -16.326 -6.117 -11.126 1.00 62.25 H new ATOM 0 HA ARG A 9 -14.606 -7.666 -12.962 1.00 32.20 H new ATOM 0 HB2 ARG A 9 -14.446 -7.350 -9.969 1.00 63.45 H new ATOM 0 HB3 ARG A 9 -14.044 -8.902 -10.677 1.00 63.45 H new ATOM 0 HG2 ARG A 9 -11.958 -7.948 -10.702 1.00 33.21 H new ATOM 0 HG3 ARG A 9 -12.516 -7.411 -12.274 1.00 33.21 H new ATOM 0 HD2 ARG A 9 -13.355 -5.283 -11.141 1.00 52.51 H new ATOM 0 HD3 ARG A 9 -12.541 -5.817 -9.684 1.00 52.51 H new ATOM 0 HE ARG A 9 -11.307 -4.643 -12.034 1.00 32.05 H new ATOM 0 HH11 ARG A 9 -10.815 -6.908 -9.371 1.00 71.42 H new ATOM 0 HH12 ARG A 9 -9.059 -6.713 -9.376 1.00 71.42 H new ATOM 0 HH21 ARG A 9 -9.051 -4.395 -12.032 1.00 42.22 H new ATOM 0 HH22 ARG A 9 -8.065 -5.296 -10.876 1.00 42.22 H new ATOM 148 N ALA A 10 -15.995 -9.756 -12.615 1.00 22.40 N ATOM 149 CA ALA A 10 -16.971 -10.838 -12.638 1.00 32.34 C ATOM 150 C ALA A 10 -16.522 -12.002 -11.759 1.00 55.31 C ATOM 151 O ALA A 10 -15.395 -12.481 -11.875 1.00 62.24 O ATOM 152 CB ALA A 10 -17.202 -11.312 -14.064 1.00 73.54 C ATOM 0 H ALA A 10 -15.149 -9.940 -13.155 1.00 22.40 H new ATOM 0 HA ALA A 10 -17.909 -10.454 -12.238 1.00 32.34 H new ATOM 0 HB1 ALA A 10 -17.933 -12.120 -14.065 1.00 73.54 H new ATOM 0 HB2 ALA A 10 -17.576 -10.484 -14.667 1.00 73.54 H new ATOM 0 HB3 ALA A 10 -16.263 -11.672 -14.484 1.00 73.54 H new ATOM 158 N ARG A 11 -17.411 -12.449 -10.878 1.00 32.21 N ATOM 159 CA ARG A 11 -17.106 -13.554 -9.978 1.00 2.31 C ATOM 160 C ARG A 11 -17.864 -14.814 -10.385 1.00 53.23 C ATOM 161 O ARG A 11 -19.068 -14.928 -10.151 1.00 0.14 O ATOM 162 CB ARG A 11 -17.457 -13.178 -8.537 1.00 23.40 C ATOM 163 CG ARG A 11 -16.315 -12.513 -7.786 1.00 21.44 C ATOM 164 CD ARG A 11 -16.301 -11.010 -8.010 1.00 42.22 C ATOM 165 NE ARG A 11 -15.145 -10.373 -7.383 1.00 31.21 N ATOM 166 CZ ARG A 11 -14.920 -9.065 -7.415 1.00 41.43 C ATOM 167 NH1 ARG A 11 -15.766 -8.258 -8.041 1.00 3.14 N ATOM 168 NH2 ARG A 11 -13.845 -8.561 -6.821 1.00 52.23 N ATOM 0 H ARG A 11 -18.349 -12.063 -10.769 1.00 32.21 H new ATOM 0 HA ARG A 11 -16.037 -13.757 -10.044 1.00 2.31 H new ATOM 0 HB2 ARG A 11 -18.316 -12.506 -8.544 1.00 23.40 H new ATOM 0 HB3 ARG A 11 -17.760 -14.077 -7.999 1.00 23.40 H new ATOM 0 HG2 ARG A 11 -16.408 -12.722 -6.720 1.00 21.44 H new ATOM 0 HG3 ARG A 11 -15.366 -12.939 -8.113 1.00 21.44 H new ATOM 0 HD2 ARG A 11 -16.293 -10.803 -9.080 1.00 42.22 H new ATOM 0 HD3 ARG A 11 -17.216 -10.575 -7.609 1.00 42.22 H new ATOM 0 HE ARG A 11 -14.474 -10.966 -6.894 1.00 31.21 H new ATOM 0 HH11 ARG A 11 -16.592 -8.642 -8.500 1.00 3.14 H new ATOM 0 HH12 ARG A 11 -15.590 -7.253 -8.064 1.00 3.14 H new ATOM 0 HH21 ARG A 11 -13.191 -9.179 -6.340 1.00 52.23 H new ATOM 0 HH22 ARG A 11 -13.673 -7.556 -6.846 1.00 52.23 H new ATOM 182 N ILE A 12 -17.153 -15.754 -10.998 1.00 12.31 N ATOM 183 CA ILE A 12 -17.760 -17.005 -11.438 1.00 0.24 C ATOM 184 C ILE A 12 -17.519 -18.119 -10.425 1.00 50.11 C ATOM 185 O ILE A 12 -16.376 -18.444 -10.104 1.00 4.41 O ATOM 186 CB ILE A 12 -17.212 -17.444 -12.808 1.00 22.25 C ATOM 187 CG1 ILE A 12 -17.491 -16.371 -13.861 1.00 65.14 C ATOM 188 CG2 ILE A 12 -17.827 -18.773 -13.223 1.00 11.13 C ATOM 189 CD1 ILE A 12 -16.535 -16.412 -15.034 1.00 62.41 C ATOM 0 H ILE A 12 -16.157 -15.674 -11.201 1.00 12.31 H new ATOM 0 HA ILE A 12 -18.831 -16.823 -11.526 1.00 0.24 H new ATOM 0 HB ILE A 12 -16.133 -17.574 -12.726 1.00 22.25 H new ATOM 0 HG12 ILE A 12 -18.510 -16.491 -14.229 1.00 65.14 H new ATOM 0 HG13 ILE A 12 -17.435 -15.389 -13.391 1.00 65.14 H new ATOM 0 HG21 ILE A 12 -17.430 -19.070 -14.194 1.00 11.13 H new ATOM 0 HG22 ILE A 12 -17.582 -19.534 -12.482 1.00 11.13 H new ATOM 0 HG23 ILE A 12 -18.910 -18.667 -13.291 1.00 11.13 H new ATOM 0 HD11 ILE A 12 -16.792 -15.623 -15.741 1.00 62.41 H new ATOM 0 HD12 ILE A 12 -15.516 -16.262 -14.678 1.00 62.41 H new ATOM 0 HD13 ILE A 12 -16.608 -17.381 -15.529 1.00 62.41 H new ATOM 201 N TYR A 13 -18.603 -18.701 -9.925 1.00 41.23 N ATOM 202 CA TYR A 13 -18.510 -19.778 -8.947 1.00 24.42 C ATOM 203 C TYR A 13 -19.133 -21.061 -9.490 1.00 64.42 C ATOM 204 O TYR A 13 -20.192 -21.036 -10.116 1.00 12.10 O ATOM 205 CB TYR A 13 -19.202 -19.374 -7.644 1.00 64.10 C ATOM 206 CG TYR A 13 -18.678 -18.084 -7.056 1.00 73.34 C ATOM 207 CD1 TYR A 13 -17.353 -17.967 -6.657 1.00 20.15 C ATOM 208 CD2 TYR A 13 -19.509 -16.981 -6.900 1.00 75.40 C ATOM 209 CE1 TYR A 13 -16.870 -16.790 -6.118 1.00 53.33 C ATOM 210 CE2 TYR A 13 -19.035 -15.800 -6.364 1.00 32.30 C ATOM 211 CZ TYR A 13 -17.716 -15.709 -5.974 1.00 23.11 C ATOM 212 OH TYR A 13 -17.239 -14.534 -5.438 1.00 54.22 O ATOM 0 H TYR A 13 -19.557 -18.445 -10.181 1.00 41.23 H new ATOM 0 HA TYR A 13 -17.455 -19.963 -8.747 1.00 24.42 H new ATOM 0 HB2 TYR A 13 -20.272 -19.272 -7.827 1.00 64.10 H new ATOM 0 HB3 TYR A 13 -19.078 -20.173 -6.913 1.00 64.10 H new ATOM 0 HD1 TYR A 13 -16.688 -18.811 -6.770 1.00 20.15 H new ATOM 0 HD2 TYR A 13 -20.543 -17.049 -7.203 1.00 75.40 H new ATOM 0 HE1 TYR A 13 -15.837 -16.716 -5.811 1.00 53.33 H new ATOM 0 HE2 TYR A 13 -19.694 -14.952 -6.251 1.00 32.30 H new ATOM 0 HH TYR A 13 -17.961 -13.872 -5.407 1.00 54.22 H new ATOM 222 N LYS A 14 -18.466 -22.185 -9.245 1.00 42.51 N ATOM 223 CA LYS A 14 -18.952 -23.480 -9.705 1.00 72.14 C ATOM 224 C LYS A 14 -19.457 -24.319 -8.536 1.00 61.34 C ATOM 225 O LYS A 14 -18.712 -25.083 -7.923 1.00 33.30 O ATOM 226 CB LYS A 14 -17.842 -24.230 -10.445 1.00 32.41 C ATOM 227 CG LYS A 14 -18.357 -25.307 -11.385 1.00 55.12 C ATOM 228 CD LYS A 14 -18.838 -26.530 -10.622 1.00 23.24 C ATOM 229 CE LYS A 14 -18.893 -27.758 -11.516 1.00 64.22 C ATOM 230 NZ LYS A 14 -18.892 -29.021 -10.726 1.00 31.11 N ATOM 0 H LYS A 14 -17.587 -22.224 -8.730 1.00 42.51 H new ATOM 0 HA LYS A 14 -19.783 -23.307 -10.389 1.00 72.14 H new ATOM 0 HB2 LYS A 14 -17.250 -23.515 -11.015 1.00 32.41 H new ATOM 0 HB3 LYS A 14 -17.174 -24.686 -9.715 1.00 32.41 H new ATOM 0 HG2 LYS A 14 -19.174 -24.907 -11.985 1.00 55.12 H new ATOM 0 HG3 LYS A 14 -17.566 -25.596 -12.076 1.00 55.12 H new ATOM 0 HD2 LYS A 14 -18.172 -26.721 -9.781 1.00 23.24 H new ATOM 0 HD3 LYS A 14 -19.827 -26.336 -10.207 1.00 23.24 H new ATOM 0 HE2 LYS A 14 -19.790 -27.717 -12.134 1.00 64.22 H new ATOM 0 HE3 LYS A 14 -18.039 -27.753 -12.193 1.00 64.22 H new ATOM 0 HZ1 LYS A 14 -18.930 -29.835 -11.372 1.00 31.11 H new ATOM 0 HZ2 LYS A 14 -18.024 -29.073 -10.155 1.00 31.11 H new ATOM 0 HZ3 LYS A 14 -19.721 -29.038 -10.098 1.00 31.11 H new ATOM 244 N PRO A 15 -20.752 -24.176 -8.219 1.00 50.12 N ATOM 245 CA PRO A 15 -21.385 -24.915 -7.123 1.00 34.10 C ATOM 246 C PRO A 15 -21.524 -26.402 -7.430 1.00 4.22 C ATOM 247 O PRO A 15 -21.580 -26.803 -8.592 1.00 74.41 O ATOM 248 CB PRO A 15 -22.766 -24.262 -7.006 1.00 24.30 C ATOM 249 CG PRO A 15 -23.035 -23.702 -8.360 1.00 13.32 C ATOM 250 CD PRO A 15 -21.699 -23.283 -8.908 1.00 52.43 C ATOM 0 HA PRO A 15 -20.796 -24.868 -6.207 1.00 34.10 H new ATOM 0 HB2 PRO A 15 -23.525 -24.990 -6.720 1.00 24.30 H new ATOM 0 HB3 PRO A 15 -22.772 -23.481 -6.246 1.00 24.30 H new ATOM 0 HG2 PRO A 15 -23.505 -24.446 -9.004 1.00 13.32 H new ATOM 0 HG3 PRO A 15 -23.717 -22.854 -8.303 1.00 13.32 H new ATOM 0 HD2 PRO A 15 -21.652 -23.406 -9.990 1.00 52.43 H new ATOM 0 HD3 PRO A 15 -21.489 -22.235 -8.697 1.00 52.43 H new ATOM 258 N ALA A 16 -21.577 -27.215 -6.381 1.00 34.24 N ATOM 259 CA ALA A 16 -21.712 -28.658 -6.538 1.00 24.12 C ATOM 260 C ALA A 16 -23.065 -29.143 -6.029 1.00 42.05 C ATOM 261 O ALA A 16 -23.685 -28.505 -5.179 1.00 4.44 O ATOM 262 CB ALA A 16 -20.584 -29.376 -5.810 1.00 12.34 C ATOM 0 H ALA A 16 -21.528 -26.899 -5.412 1.00 34.24 H new ATOM 0 HA ALA A 16 -21.650 -28.889 -7.601 1.00 24.12 H new ATOM 0 HB1 ALA A 16 -20.697 -30.453 -5.936 1.00 12.34 H new ATOM 0 HB2 ALA A 16 -19.626 -29.061 -6.223 1.00 12.34 H new ATOM 0 HB3 ALA A 16 -20.620 -29.129 -4.749 1.00 12.34 H new ATOM 268 N LYS A 17 -23.520 -30.274 -6.557 1.00 24.03 N ATOM 269 CA LYS A 17 -24.800 -30.845 -6.158 1.00 4.04 C ATOM 270 C LYS A 17 -24.817 -31.149 -4.663 1.00 23.22 C ATOM 271 O LYS A 17 -23.795 -31.515 -4.083 1.00 32.45 O ATOM 272 CB LYS A 17 -25.081 -32.123 -6.951 1.00 62.23 C ATOM 273 CG LYS A 17 -23.925 -33.108 -6.951 1.00 52.11 C ATOM 274 CD LYS A 17 -24.381 -34.505 -7.335 1.00 20.21 C ATOM 275 CE LYS A 17 -24.514 -34.652 -8.843 1.00 20.14 C ATOM 276 NZ LYS A 17 -25.875 -34.282 -9.319 1.00 14.24 N ATOM 0 H LYS A 17 -23.020 -30.814 -7.263 1.00 24.03 H new ATOM 0 HA LYS A 17 -25.579 -30.113 -6.372 1.00 4.04 H new ATOM 0 HB2 LYS A 17 -25.963 -32.611 -6.536 1.00 62.23 H new ATOM 0 HB3 LYS A 17 -25.319 -31.856 -7.981 1.00 62.23 H new ATOM 0 HG2 LYS A 17 -23.158 -32.770 -7.648 1.00 52.11 H new ATOM 0 HG3 LYS A 17 -23.467 -33.133 -5.962 1.00 52.11 H new ATOM 0 HD2 LYS A 17 -23.668 -35.238 -6.958 1.00 20.21 H new ATOM 0 HD3 LYS A 17 -25.339 -34.719 -6.861 1.00 20.21 H new ATOM 0 HE2 LYS A 17 -23.773 -34.022 -9.336 1.00 20.14 H new ATOM 0 HE3 LYS A 17 -24.297 -35.682 -9.128 1.00 20.14 H new ATOM 0 HZ1 LYS A 17 -26.286 -35.077 -9.849 1.00 14.24 H new ATOM 0 HZ2 LYS A 17 -26.480 -34.061 -8.503 1.00 14.24 H new ATOM 0 HZ3 LYS A 17 -25.812 -33.449 -9.939 1.00 14.24 H new ATOM 290 N SER A 18 -25.984 -30.995 -4.045 1.00 63.43 N ATOM 291 CA SER A 18 -26.133 -31.251 -2.618 1.00 34.45 C ATOM 292 C SER A 18 -27.152 -32.359 -2.368 1.00 54.31 C ATOM 293 O SER A 18 -28.064 -32.573 -3.168 1.00 24.41 O ATOM 294 CB SER A 18 -26.562 -29.975 -1.892 1.00 11.42 C ATOM 295 OG SER A 18 -27.065 -30.267 -0.600 1.00 32.24 O ATOM 0 H SER A 18 -26.840 -30.694 -4.511 1.00 63.43 H new ATOM 0 HA SER A 18 -25.168 -31.575 -2.229 1.00 34.45 H new ATOM 0 HB2 SER A 18 -25.713 -29.297 -1.810 1.00 11.42 H new ATOM 0 HB3 SER A 18 -27.326 -29.461 -2.475 1.00 11.42 H new ATOM 0 HG SER A 18 -27.331 -29.434 -0.156 1.00 32.24 H new ATOM 301 N THR A 19 -26.993 -33.060 -1.250 1.00 31.31 N ATOM 302 CA THR A 19 -27.897 -34.146 -0.894 1.00 1.24 C ATOM 303 C THR A 19 -29.348 -33.678 -0.898 1.00 44.24 C ATOM 304 O THR A 19 -30.231 -34.368 -1.408 1.00 43.43 O ATOM 305 CB THR A 19 -27.561 -34.725 0.494 1.00 51.54 C ATOM 306 OG1 THR A 19 -27.646 -33.696 1.487 1.00 74.10 O ATOM 307 CG2 THR A 19 -26.166 -35.331 0.504 1.00 4.35 C ATOM 0 H THR A 19 -26.246 -32.895 -0.575 1.00 31.31 H new ATOM 0 HA THR A 19 -27.767 -34.924 -1.646 1.00 1.24 H new ATOM 0 HB THR A 19 -28.283 -35.510 0.721 1.00 51.54 H new ATOM 0 HG1 THR A 19 -27.433 -34.072 2.367 1.00 74.10 H new ATOM 0 HG21 THR A 19 -25.951 -35.733 1.494 1.00 4.35 H new ATOM 0 HG22 THR A 19 -26.112 -36.132 -0.233 1.00 4.35 H new ATOM 0 HG23 THR A 19 -25.434 -34.562 0.258 1.00 4.35 H new ATOM 315 N MET A 20 -29.587 -32.502 -0.328 1.00 54.24 N ATOM 316 CA MET A 20 -30.932 -31.941 -0.269 1.00 32.51 C ATOM 317 C MET A 20 -31.111 -30.846 -1.316 1.00 14.32 C ATOM 318 O MET A 20 -30.618 -29.730 -1.149 1.00 71.45 O ATOM 319 CB MET A 20 -31.213 -31.380 1.126 1.00 71.24 C ATOM 320 CG MET A 20 -32.694 -31.269 1.449 1.00 33.24 C ATOM 321 SD MET A 20 -32.999 -30.895 3.187 1.00 42.43 S ATOM 322 CE MET A 20 -34.085 -32.246 3.639 1.00 52.25 C ATOM 0 H MET A 20 -28.867 -31.919 0.100 1.00 54.24 H new ATOM 0 HA MET A 20 -31.642 -32.741 -0.481 1.00 32.51 H new ATOM 0 HB2 MET A 20 -30.734 -32.018 1.869 1.00 71.24 H new ATOM 0 HB3 MET A 20 -30.756 -30.394 1.211 1.00 71.24 H new ATOM 0 HG2 MET A 20 -33.140 -30.490 0.830 1.00 33.24 H new ATOM 0 HG3 MET A 20 -33.190 -32.205 1.190 1.00 33.24 H new ATOM 0 HE1 MET A 20 -34.362 -32.154 4.689 1.00 52.25 H new ATOM 0 HE2 MET A 20 -34.983 -32.213 3.022 1.00 52.25 H new ATOM 0 HE3 MET A 20 -33.571 -33.194 3.481 1.00 52.25 H new ATOM 332 N GLN A 21 -31.818 -31.173 -2.393 1.00 2.14 N ATOM 333 CA GLN A 21 -32.060 -30.216 -3.467 1.00 25.33 C ATOM 334 C GLN A 21 -33.243 -29.313 -3.134 1.00 64.43 C ATOM 335 O GLN A 21 -33.071 -28.127 -2.854 1.00 74.24 O ATOM 336 CB GLN A 21 -32.318 -30.950 -4.784 1.00 5.24 C ATOM 337 CG GLN A 21 -31.049 -31.274 -5.558 1.00 10.22 C ATOM 338 CD GLN A 21 -30.450 -32.609 -5.163 1.00 63.31 C ATOM 339 OE1 GLN A 21 -30.918 -33.261 -4.229 1.00 11.34 O ATOM 340 NE2 GLN A 21 -29.407 -33.025 -5.874 1.00 55.34 N ATOM 0 H GLN A 21 -32.233 -32.092 -2.545 1.00 2.14 H new ATOM 0 HA GLN A 21 -31.171 -29.595 -3.574 1.00 25.33 H new ATOM 0 HB2 GLN A 21 -32.853 -31.876 -4.575 1.00 5.24 H new ATOM 0 HB3 GLN A 21 -32.969 -30.339 -5.409 1.00 5.24 H new ATOM 0 HG2 GLN A 21 -31.271 -31.281 -6.625 1.00 10.22 H new ATOM 0 HG3 GLN A 21 -30.314 -30.486 -5.390 1.00 10.22 H new ATOM 0 HE21 GLN A 21 -29.051 -32.453 -6.640 1.00 55.34 H new ATOM 0 HE22 GLN A 21 -28.962 -33.916 -5.654 1.00 55.34 H new ATOM 349 N SER A 22 -34.443 -29.882 -3.168 1.00 12.12 N ATOM 350 CA SER A 22 -35.656 -29.128 -2.875 1.00 1.34 C ATOM 351 C SER A 22 -35.791 -27.931 -3.811 1.00 44.21 C ATOM 352 O SER A 22 -36.290 -26.876 -3.421 1.00 0.25 O ATOM 353 CB SER A 22 -35.647 -28.653 -1.421 1.00 15.45 C ATOM 354 OG SER A 22 -35.216 -29.685 -0.550 1.00 32.32 O ATOM 0 H SER A 22 -34.602 -30.864 -3.396 1.00 12.12 H new ATOM 0 HA SER A 22 -36.510 -29.787 -3.030 1.00 1.34 H new ATOM 0 HB2 SER A 22 -34.989 -27.790 -1.321 1.00 15.45 H new ATOM 0 HB3 SER A 22 -36.647 -28.326 -1.136 1.00 15.45 H new ATOM 0 HG SER A 22 -35.217 -29.356 0.373 1.00 32.32 H new ATOM 360 N GLY A 23 -35.341 -28.103 -5.051 1.00 14.12 N ATOM 361 CA GLY A 23 -35.419 -27.030 -6.024 1.00 32.11 C ATOM 362 C GLY A 23 -35.482 -27.543 -7.448 1.00 62.25 C ATOM 363 O GLY A 23 -36.384 -27.184 -8.207 1.00 71.01 O ATOM 0 H GLY A 23 -34.924 -28.967 -5.398 1.00 14.12 H new ATOM 0 HA2 GLY A 23 -36.301 -26.423 -5.821 1.00 32.11 H new ATOM 0 HA3 GLY A 23 -34.551 -26.380 -5.913 1.00 32.11 H new ATOM 367 N HIS A 24 -34.521 -28.385 -7.817 1.00 15.45 N ATOM 368 CA HIS A 24 -34.470 -28.948 -9.160 1.00 41.12 C ATOM 369 C HIS A 24 -34.428 -27.842 -10.211 1.00 44.02 C ATOM 370 O HIS A 24 -35.204 -27.850 -11.166 1.00 22.41 O ATOM 371 CB HIS A 24 -35.679 -29.853 -9.404 1.00 53.43 C ATOM 372 CG HIS A 24 -35.541 -31.213 -8.794 1.00 42.20 C ATOM 373 ND1 HIS A 24 -35.419 -31.421 -7.436 1.00 75.22 N ATOM 374 CD2 HIS A 24 -35.506 -32.439 -9.366 1.00 30.41 C ATOM 375 CE1 HIS A 24 -35.315 -32.717 -7.199 1.00 4.40 C ATOM 376 NE2 HIS A 24 -35.365 -33.357 -8.353 1.00 74.14 N ATOM 0 H HIS A 24 -33.767 -28.692 -7.203 1.00 15.45 H new ATOM 0 HA HIS A 24 -33.559 -29.541 -9.244 1.00 41.12 H new ATOM 0 HB2 HIS A 24 -36.570 -29.372 -9.001 1.00 53.43 H new ATOM 0 HB3 HIS A 24 -35.832 -29.959 -10.478 1.00 53.43 H new ATOM 0 HD2 HIS A 24 -35.576 -32.656 -10.422 1.00 30.41 H new ATOM 0 HE1 HIS A 24 -35.207 -33.175 -6.227 1.00 4.40 H new ATOM 0 HE2 HIS A 24 -35.308 -34.368 -8.473 1.00 74.14 H new ATOM 384 N SER A 25 -33.516 -26.892 -10.027 1.00 71.04 N ATOM 385 CA SER A 25 -33.376 -25.777 -10.957 1.00 14.15 C ATOM 386 C SER A 25 -32.158 -25.969 -11.855 1.00 0.54 C ATOM 387 O SER A 25 -31.133 -25.309 -11.681 1.00 50.44 O ATOM 388 CB SER A 25 -33.255 -24.459 -10.190 1.00 74.13 C ATOM 389 OG SER A 25 -34.320 -24.306 -9.267 1.00 73.35 O ATOM 0 H SER A 25 -32.864 -26.872 -9.243 1.00 71.04 H new ATOM 0 HA SER A 25 -34.267 -25.744 -11.584 1.00 14.15 H new ATOM 0 HB2 SER A 25 -32.303 -24.429 -9.660 1.00 74.13 H new ATOM 0 HB3 SER A 25 -33.255 -23.625 -10.892 1.00 74.13 H new ATOM 0 HG SER A 25 -34.219 -23.457 -8.788 1.00 73.35 H new ATOM 395 N LYS A 26 -32.277 -26.879 -12.817 1.00 11.54 N ATOM 396 CA LYS A 26 -31.188 -27.159 -13.744 1.00 75.01 C ATOM 397 C LYS A 26 -30.916 -25.956 -14.642 1.00 63.32 C ATOM 398 O LYS A 26 -29.851 -25.853 -15.253 1.00 60.44 O ATOM 399 CB LYS A 26 -31.522 -28.382 -14.601 1.00 35.34 C ATOM 400 CG LYS A 26 -32.828 -28.252 -15.365 1.00 50.21 C ATOM 401 CD LYS A 26 -32.593 -27.801 -16.796 1.00 74.42 C ATOM 402 CE LYS A 26 -32.401 -28.987 -17.730 1.00 2.42 C ATOM 403 NZ LYS A 26 -32.723 -28.639 -19.141 1.00 63.33 N ATOM 0 H LYS A 26 -33.118 -27.435 -12.974 1.00 11.54 H new ATOM 0 HA LYS A 26 -30.291 -27.366 -13.160 1.00 75.01 H new ATOM 0 HB2 LYS A 26 -30.711 -28.550 -15.310 1.00 35.34 H new ATOM 0 HB3 LYS A 26 -31.572 -29.262 -13.959 1.00 35.34 H new ATOM 0 HG2 LYS A 26 -33.348 -29.210 -15.365 1.00 50.21 H new ATOM 0 HG3 LYS A 26 -33.477 -27.537 -14.859 1.00 50.21 H new ATOM 0 HD2 LYS A 26 -33.440 -27.204 -17.134 1.00 74.42 H new ATOM 0 HD3 LYS A 26 -31.713 -27.159 -16.836 1.00 74.42 H new ATOM 0 HE2 LYS A 26 -31.370 -29.335 -17.668 1.00 2.42 H new ATOM 0 HE3 LYS A 26 -33.036 -29.812 -17.405 1.00 2.42 H new ATOM 0 HZ1 LYS A 26 -32.580 -29.473 -19.746 1.00 63.33 H new ATOM 0 HZ2 LYS A 26 -33.714 -28.331 -19.205 1.00 63.33 H new ATOM 0 HZ3 LYS A 26 -32.100 -27.869 -19.460 1.00 63.33 H new ATOM 417 N LEU A 27 -31.883 -25.048 -14.717 1.00 5.24 N ATOM 418 CA LEU A 27 -31.746 -23.851 -15.539 1.00 34.50 C ATOM 419 C LEU A 27 -30.448 -23.116 -15.220 1.00 63.50 C ATOM 420 O LEU A 27 -29.775 -22.605 -16.115 1.00 52.33 O ATOM 421 CB LEU A 27 -32.939 -22.920 -15.321 1.00 14.15 C ATOM 422 CG LEU A 27 -34.218 -23.278 -16.079 1.00 33.42 C ATOM 423 CD1 LEU A 27 -34.998 -24.350 -15.333 1.00 53.43 C ATOM 424 CD2 LEU A 27 -35.078 -22.040 -16.291 1.00 23.13 C ATOM 0 H LEU A 27 -32.770 -25.118 -14.219 1.00 5.24 H new ATOM 0 HA LEU A 27 -31.719 -24.159 -16.584 1.00 34.50 H new ATOM 0 HB2 LEU A 27 -33.167 -22.897 -14.255 1.00 14.15 H new ATOM 0 HB3 LEU A 27 -32.643 -21.910 -15.605 1.00 14.15 H new ATOM 0 HG LEU A 27 -33.940 -23.673 -17.056 1.00 33.42 H new ATOM 0 HD11 LEU A 27 -35.905 -24.592 -15.887 1.00 53.43 H new ATOM 0 HD12 LEU A 27 -34.383 -25.245 -15.234 1.00 53.43 H new ATOM 0 HD13 LEU A 27 -35.265 -23.982 -14.342 1.00 53.43 H new ATOM 0 HD21 LEU A 27 -35.984 -22.314 -16.832 1.00 23.13 H new ATOM 0 HD22 LEU A 27 -35.348 -21.614 -15.324 1.00 23.13 H new ATOM 0 HD23 LEU A 27 -34.519 -21.304 -16.869 1.00 23.13 H new ATOM 436 N LYS A 28 -30.100 -23.071 -13.939 1.00 42.53 N ATOM 437 CA LYS A 28 -28.881 -22.401 -13.500 1.00 20.40 C ATOM 438 C LYS A 28 -27.919 -23.394 -12.854 1.00 44.14 C ATOM 439 O LYS A 28 -28.262 -24.060 -11.879 1.00 72.31 O ATOM 440 CB LYS A 28 -29.215 -21.282 -12.512 1.00 71.11 C ATOM 441 CG LYS A 28 -30.173 -21.708 -11.412 1.00 64.14 C ATOM 442 CD LYS A 28 -30.516 -20.548 -10.493 1.00 32.32 C ATOM 443 CE LYS A 28 -31.909 -20.701 -9.900 1.00 70.14 C ATOM 444 NZ LYS A 28 -32.100 -19.838 -8.701 1.00 2.40 N ATOM 0 H LYS A 28 -30.645 -23.491 -13.186 1.00 42.53 H new ATOM 0 HA LYS A 28 -28.398 -21.969 -14.376 1.00 20.40 H new ATOM 0 HB2 LYS A 28 -28.292 -20.921 -12.059 1.00 71.11 H new ATOM 0 HB3 LYS A 28 -29.650 -20.445 -13.058 1.00 71.11 H new ATOM 0 HG2 LYS A 28 -31.086 -22.104 -11.856 1.00 64.14 H new ATOM 0 HG3 LYS A 28 -29.726 -22.514 -10.831 1.00 64.14 H new ATOM 0 HD2 LYS A 28 -29.782 -20.489 -9.690 1.00 32.32 H new ATOM 0 HD3 LYS A 28 -30.456 -19.612 -11.049 1.00 32.32 H new ATOM 0 HE2 LYS A 28 -32.654 -20.446 -10.653 1.00 70.14 H new ATOM 0 HE3 LYS A 28 -32.075 -21.743 -9.627 1.00 70.14 H new ATOM 0 HZ1 LYS A 28 -33.061 -19.971 -8.327 1.00 2.40 H new ATOM 0 HZ2 LYS A 28 -31.406 -20.098 -7.972 1.00 2.40 H new ATOM 0 HZ3 LYS A 28 -31.967 -18.841 -8.966 1.00 2.40 H new ATOM 458 N ALA A 29 -26.712 -23.485 -13.404 1.00 41.24 N ATOM 459 CA ALA A 29 -25.699 -24.392 -12.879 1.00 75.22 C ATOM 460 C ALA A 29 -24.476 -23.625 -12.390 1.00 42.21 C ATOM 461 O ALA A 29 -23.786 -24.061 -11.467 1.00 61.13 O ATOM 462 CB ALA A 29 -25.300 -25.407 -13.940 1.00 21.12 C ATOM 0 H ALA A 29 -26.412 -22.941 -14.213 1.00 41.24 H new ATOM 0 HA ALA A 29 -26.126 -24.922 -12.028 1.00 75.22 H new ATOM 0 HB1 ALA A 29 -24.543 -26.078 -13.535 1.00 21.12 H new ATOM 0 HB2 ALA A 29 -26.175 -25.985 -14.238 1.00 21.12 H new ATOM 0 HB3 ALA A 29 -24.896 -24.886 -14.808 1.00 21.12 H new ATOM 468 N TRP A 30 -24.211 -22.483 -13.013 1.00 53.22 N ATOM 469 CA TRP A 30 -23.069 -21.656 -12.641 1.00 1.15 C ATOM 470 C TRP A 30 -23.528 -20.348 -12.006 1.00 3.14 C ATOM 471 O TRP A 30 -24.611 -19.846 -12.308 1.00 3.14 O ATOM 472 CB TRP A 30 -22.202 -21.365 -13.867 1.00 22.42 C ATOM 473 CG TRP A 30 -21.341 -22.523 -14.274 1.00 44.20 C ATOM 474 CD1 TRP A 30 -21.735 -23.638 -14.956 1.00 64.43 C ATOM 475 CD2 TRP A 30 -19.940 -22.679 -14.021 1.00 20.32 C ATOM 476 NE1 TRP A 30 -20.663 -24.478 -15.144 1.00 15.15 N ATOM 477 CE2 TRP A 30 -19.550 -23.912 -14.579 1.00 74.32 C ATOM 478 CE3 TRP A 30 -18.977 -21.897 -13.379 1.00 0.53 C ATOM 479 CZ2 TRP A 30 -18.241 -24.380 -14.513 1.00 15.42 C ATOM 480 CZ3 TRP A 30 -17.677 -22.362 -13.313 1.00 53.40 C ATOM 481 CH2 TRP A 30 -17.318 -23.593 -13.878 1.00 52.20 C ATOM 0 H TRP A 30 -24.771 -22.108 -13.778 1.00 53.22 H new ATOM 0 HA TRP A 30 -22.478 -22.206 -11.909 1.00 1.15 H new ATOM 0 HB2 TRP A 30 -22.846 -21.090 -14.702 1.00 22.42 H new ATOM 0 HB3 TRP A 30 -21.566 -20.505 -13.658 1.00 22.42 H new ATOM 0 HD1 TRP A 30 -22.741 -23.832 -15.298 1.00 64.43 H new ATOM 0 HE1 TRP A 30 -20.691 -25.377 -15.626 1.00 15.15 H new ATOM 0 HE3 TRP A 30 -19.243 -20.946 -12.942 1.00 0.53 H new ATOM 0 HZ2 TRP A 30 -17.963 -25.329 -14.947 1.00 15.42 H new ATOM 0 HZ3 TRP A 30 -16.925 -21.766 -12.817 1.00 53.40 H new ATOM 0 HH2 TRP A 30 -16.293 -23.927 -13.811 1.00 52.20 H new ATOM 492 N LYS A 31 -22.697 -19.799 -11.126 1.00 24.14 N ATOM 493 CA LYS A 31 -23.016 -18.548 -10.449 1.00 42.42 C ATOM 494 C LYS A 31 -22.148 -17.408 -10.973 1.00 22.54 C ATOM 495 O LYS A 31 -20.979 -17.608 -11.306 1.00 21.43 O ATOM 496 CB LYS A 31 -22.822 -18.698 -8.938 1.00 41.24 C ATOM 497 CG LYS A 31 -23.824 -17.906 -8.115 1.00 0.32 C ATOM 498 CD LYS A 31 -24.031 -18.525 -6.743 1.00 44.21 C ATOM 499 CE LYS A 31 -25.079 -19.626 -6.780 1.00 50.31 C ATOM 500 NZ LYS A 31 -25.305 -20.222 -5.434 1.00 52.31 N ATOM 0 H LYS A 31 -21.797 -20.202 -10.865 1.00 24.14 H new ATOM 0 HA LYS A 31 -24.060 -18.310 -10.654 1.00 42.42 H new ATOM 0 HB2 LYS A 31 -22.899 -19.752 -8.673 1.00 41.24 H new ATOM 0 HB3 LYS A 31 -21.814 -18.377 -8.676 1.00 41.24 H new ATOM 0 HG2 LYS A 31 -23.474 -16.880 -8.003 1.00 0.32 H new ATOM 0 HG3 LYS A 31 -24.777 -17.862 -8.643 1.00 0.32 H new ATOM 0 HD2 LYS A 31 -23.087 -18.932 -6.380 1.00 44.21 H new ATOM 0 HD3 LYS A 31 -24.338 -17.753 -6.037 1.00 44.21 H new ATOM 0 HE2 LYS A 31 -26.017 -19.222 -7.160 1.00 50.31 H new ATOM 0 HE3 LYS A 31 -24.763 -20.405 -7.474 1.00 50.31 H new ATOM 0 HZ1 LYS A 31 -26.026 -20.968 -5.501 1.00 52.31 H new ATOM 0 HZ2 LYS A 31 -24.416 -20.630 -5.081 1.00 52.31 H new ATOM 0 HZ3 LYS A 31 -25.631 -19.484 -4.778 1.00 52.31 H new ATOM 514 N LEU A 32 -22.726 -16.215 -11.043 1.00 50.42 N ATOM 515 CA LEU A 32 -22.004 -15.043 -11.525 1.00 45.53 C ATOM 516 C LEU A 32 -22.342 -13.813 -10.689 1.00 40.20 C ATOM 517 O LEU A 32 -23.512 -13.484 -10.498 1.00 51.42 O ATOM 518 CB LEU A 32 -22.338 -14.782 -12.995 1.00 54.34 C ATOM 519 CG LEU A 32 -21.375 -13.866 -13.751 1.00 22.54 C ATOM 520 CD1 LEU A 32 -21.522 -12.428 -13.278 1.00 31.42 C ATOM 521 CD2 LEU A 32 -19.940 -14.343 -13.577 1.00 14.54 C ATOM 0 H LEU A 32 -23.692 -16.033 -10.772 1.00 50.42 H new ATOM 0 HA LEU A 32 -20.936 -15.241 -11.431 1.00 45.53 H new ATOM 0 HB2 LEU A 32 -22.378 -15.740 -13.513 1.00 54.34 H new ATOM 0 HB3 LEU A 32 -23.337 -14.349 -13.048 1.00 54.34 H new ATOM 0 HG LEU A 32 -21.624 -13.904 -14.811 1.00 22.54 H new ATOM 0 HD11 LEU A 32 -20.829 -11.792 -13.828 1.00 31.42 H new ATOM 0 HD12 LEU A 32 -22.543 -12.089 -13.454 1.00 31.42 H new ATOM 0 HD13 LEU A 32 -21.300 -12.371 -12.212 1.00 31.42 H new ATOM 0 HD21 LEU A 32 -19.268 -13.680 -14.121 1.00 14.54 H new ATOM 0 HD22 LEU A 32 -19.680 -14.335 -12.519 1.00 14.54 H new ATOM 0 HD23 LEU A 32 -19.844 -15.357 -13.966 1.00 14.54 H new ATOM 533 N GLU A 33 -21.309 -13.136 -10.195 1.00 23.41 N ATOM 534 CA GLU A 33 -21.497 -11.942 -9.381 1.00 53.44 C ATOM 535 C GLU A 33 -20.608 -10.803 -9.872 1.00 53.51 C ATOM 536 O GLU A 33 -19.394 -10.818 -9.671 1.00 10.11 O ATOM 537 CB GLU A 33 -21.193 -12.246 -7.912 1.00 43.45 C ATOM 538 CG GLU A 33 -21.431 -11.065 -6.986 1.00 12.05 C ATOM 539 CD GLU A 33 -22.771 -10.397 -7.224 1.00 34.42 C ATOM 540 OE1 GLU A 33 -22.868 -9.582 -8.165 1.00 51.11 O ATOM 541 OE2 GLU A 33 -23.723 -10.689 -6.469 1.00 43.22 O ATOM 0 H GLU A 33 -20.334 -13.395 -10.345 1.00 23.41 H new ATOM 0 HA GLU A 33 -22.538 -11.631 -9.472 1.00 53.44 H new ATOM 0 HB2 GLU A 33 -21.812 -13.083 -7.587 1.00 43.45 H new ATOM 0 HB3 GLU A 33 -20.154 -12.564 -7.823 1.00 43.45 H new ATOM 0 HG2 GLU A 33 -21.377 -11.403 -5.951 1.00 12.05 H new ATOM 0 HG3 GLU A 33 -20.635 -10.333 -7.125 1.00 12.05 H new ATOM 548 N PHE A 34 -21.221 -9.816 -10.516 1.00 75.24 N ATOM 549 CA PHE A 34 -20.487 -8.669 -11.037 1.00 20.33 C ATOM 550 C PHE A 34 -20.465 -7.530 -10.022 1.00 64.21 C ATOM 551 O PHE A 34 -21.476 -7.233 -9.387 1.00 0.34 O ATOM 552 CB PHE A 34 -21.112 -8.188 -12.347 1.00 70.44 C ATOM 553 CG PHE A 34 -22.556 -7.795 -12.213 1.00 61.24 C ATOM 554 CD1 PHE A 34 -22.905 -6.515 -11.812 1.00 22.32 C ATOM 555 CD2 PHE A 34 -23.564 -8.705 -12.489 1.00 61.02 C ATOM 556 CE1 PHE A 34 -24.233 -6.152 -11.687 1.00 2.34 C ATOM 557 CE2 PHE A 34 -24.894 -8.347 -12.367 1.00 3.35 C ATOM 558 CZ PHE A 34 -25.228 -7.068 -11.966 1.00 32.21 C ATOM 0 H PHE A 34 -22.226 -9.787 -10.690 1.00 75.24 H new ATOM 0 HA PHE A 34 -19.460 -8.983 -11.227 1.00 20.33 H new ATOM 0 HB2 PHE A 34 -20.545 -7.335 -12.719 1.00 70.44 H new ATOM 0 HB3 PHE A 34 -21.026 -8.978 -13.093 1.00 70.44 H new ATOM 0 HD1 PHE A 34 -22.131 -5.794 -11.595 1.00 22.32 H new ATOM 0 HD2 PHE A 34 -23.308 -9.706 -12.803 1.00 61.02 H new ATOM 0 HE1 PHE A 34 -24.492 -5.152 -11.371 1.00 2.34 H new ATOM 0 HE2 PHE A 34 -25.670 -9.066 -12.585 1.00 3.35 H new ATOM 0 HZ PHE A 34 -26.266 -6.785 -11.871 1.00 32.21 H new ATOM 568 N GLU A 35 -19.304 -6.898 -9.876 1.00 35.21 N ATOM 569 CA GLU A 35 -19.151 -5.793 -8.937 1.00 62.10 C ATOM 570 C GLU A 35 -20.135 -4.671 -9.252 1.00 51.45 C ATOM 571 O GLU A 35 -20.336 -4.293 -10.407 1.00 2.32 O ATOM 572 CB GLU A 35 -17.718 -5.258 -8.976 1.00 55.34 C ATOM 573 CG GLU A 35 -17.470 -4.110 -8.011 1.00 34.31 C ATOM 574 CD GLU A 35 -17.027 -4.587 -6.642 1.00 14.42 C ATOM 575 OE1 GLU A 35 -16.311 -5.607 -6.570 1.00 74.34 O ATOM 576 OE2 GLU A 35 -17.396 -3.938 -5.640 1.00 14.31 O ATOM 0 H GLU A 35 -18.458 -7.132 -10.395 1.00 35.21 H new ATOM 0 HA GLU A 35 -19.364 -6.167 -7.936 1.00 62.10 H new ATOM 0 HB2 GLU A 35 -17.029 -6.071 -8.745 1.00 55.34 H new ATOM 0 HB3 GLU A 35 -17.491 -4.926 -9.989 1.00 55.34 H new ATOM 0 HG2 GLU A 35 -16.709 -3.449 -8.426 1.00 34.31 H new ATOM 0 HG3 GLU A 35 -18.382 -3.522 -7.910 1.00 34.31 H new ATOM 583 N PRO A 36 -20.764 -4.123 -8.202 1.00 71.20 N ATOM 584 CA PRO A 36 -21.737 -3.036 -8.341 1.00 51.01 C ATOM 585 C PRO A 36 -21.084 -1.723 -8.758 1.00 31.21 C ATOM 586 O PRO A 36 -20.031 -1.350 -8.241 1.00 41.13 O ATOM 587 CB PRO A 36 -22.335 -2.913 -6.937 1.00 22.02 C ATOM 588 CG PRO A 36 -21.279 -3.441 -6.028 1.00 21.21 C ATOM 589 CD PRO A 36 -20.573 -4.523 -6.798 1.00 35.55 C ATOM 0 HA PRO A 36 -22.474 -3.246 -9.116 1.00 51.01 H new ATOM 0 HB2 PRO A 36 -22.580 -1.878 -6.700 1.00 22.02 H new ATOM 0 HB3 PRO A 36 -23.257 -3.487 -6.848 1.00 22.02 H new ATOM 0 HG2 PRO A 36 -20.585 -2.653 -5.737 1.00 21.21 H new ATOM 0 HG3 PRO A 36 -21.715 -3.836 -5.111 1.00 21.21 H new ATOM 0 HD2 PRO A 36 -19.516 -4.578 -6.536 1.00 35.55 H new ATOM 0 HD3 PRO A 36 -21.003 -5.504 -6.598 1.00 35.55 H new ATOM 597 N SER A 37 -21.716 -1.024 -9.697 1.00 23.54 N ATOM 598 CA SER A 37 -21.194 0.246 -10.186 1.00 34.01 C ATOM 599 C SER A 37 -22.205 0.932 -11.099 1.00 12.51 C ATOM 600 O SER A 37 -23.280 0.396 -11.369 1.00 14.04 O ATOM 601 CB SER A 37 -19.880 0.026 -10.937 1.00 25.02 C ATOM 602 OG SER A 37 -18.771 0.100 -10.057 1.00 11.45 O ATOM 0 H SER A 37 -22.590 -1.317 -10.134 1.00 23.54 H new ATOM 0 HA SER A 37 -21.010 0.890 -9.326 1.00 34.01 H new ATOM 0 HB2 SER A 37 -19.896 -0.948 -11.426 1.00 25.02 H new ATOM 0 HB3 SER A 37 -19.776 0.775 -11.722 1.00 25.02 H new ATOM 0 HG SER A 37 -18.907 -0.516 -9.307 1.00 11.45 H new ATOM 608 N CYS A 38 -21.852 2.123 -11.571 1.00 53.53 N ATOM 609 CA CYS A 38 -22.729 2.886 -12.454 1.00 4.10 C ATOM 610 C CYS A 38 -22.933 2.158 -13.779 1.00 34.04 C ATOM 611 O CYS A 38 -22.246 1.179 -14.075 1.00 74.21 O ATOM 612 CB CYS A 38 -22.146 4.277 -12.707 1.00 5.11 C ATOM 613 SG CYS A 38 -20.653 4.278 -13.727 1.00 14.23 S ATOM 0 H CYS A 38 -20.966 2.581 -11.358 1.00 53.53 H new ATOM 0 HA CYS A 38 -23.697 2.989 -11.964 1.00 4.10 H new ATOM 0 HB2 CYS A 38 -22.903 4.894 -13.190 1.00 5.11 H new ATOM 0 HB3 CYS A 38 -21.918 4.744 -11.749 1.00 5.11 H new ATOM 0 HG CYS A 38 -20.237 5.499 -13.886 1.00 14.23 H new ATOM 619 N THR A 39 -23.883 2.641 -14.573 1.00 10.51 N ATOM 620 CA THR A 39 -24.181 2.036 -15.864 1.00 42.24 C ATOM 621 C THR A 39 -25.158 2.893 -16.662 1.00 33.32 C ATOM 622 O THR A 39 -25.806 3.783 -16.113 1.00 14.12 O ATOM 623 CB THR A 39 -24.770 0.623 -15.700 1.00 43.24 C ATOM 624 OG1 THR A 39 -25.020 0.044 -16.985 1.00 71.44 O ATOM 625 CG2 THR A 39 -26.061 0.665 -14.897 1.00 40.05 C ATOM 0 H THR A 39 -24.460 3.451 -14.344 1.00 10.51 H new ATOM 0 HA THR A 39 -23.237 1.967 -16.405 1.00 42.24 H new ATOM 0 HB THR A 39 -24.046 0.012 -15.162 1.00 43.24 H new ATOM 0 HG1 THR A 39 -25.393 -0.855 -16.872 1.00 71.44 H new ATOM 0 HG21 THR A 39 -26.459 -0.345 -14.794 1.00 40.05 H new ATOM 0 HG22 THR A 39 -25.861 1.079 -13.909 1.00 40.05 H new ATOM 0 HG23 THR A 39 -26.790 1.291 -15.412 1.00 40.05 H new ATOM 633 N GLN A 40 -25.259 2.617 -17.957 1.00 63.33 N ATOM 634 CA GLN A 40 -26.158 3.364 -18.830 1.00 1.11 C ATOM 635 C GLN A 40 -27.600 2.902 -18.647 1.00 53.42 C ATOM 636 O GLN A 40 -27.882 2.015 -17.841 1.00 11.44 O ATOM 637 CB GLN A 40 -25.739 3.200 -20.291 1.00 25.43 C ATOM 638 CG GLN A 40 -24.327 3.685 -20.577 1.00 10.23 C ATOM 639 CD GLN A 40 -24.008 3.712 -22.059 1.00 22.23 C ATOM 640 OE1 GLN A 40 -24.491 2.878 -22.825 1.00 52.42 O ATOM 641 NE2 GLN A 40 -23.189 4.673 -22.471 1.00 23.32 N ATOM 0 H GLN A 40 -24.730 1.882 -18.426 1.00 63.33 H new ATOM 0 HA GLN A 40 -26.095 4.418 -18.559 1.00 1.11 H new ATOM 0 HB2 GLN A 40 -25.816 2.148 -20.566 1.00 25.43 H new ATOM 0 HB3 GLN A 40 -26.437 3.747 -20.924 1.00 25.43 H new ATOM 0 HG2 GLN A 40 -24.200 4.686 -20.164 1.00 10.23 H new ATOM 0 HG3 GLN A 40 -23.614 3.037 -20.068 1.00 10.23 H new ATOM 0 HE21 GLN A 40 -22.812 5.343 -21.801 1.00 23.32 H new ATOM 0 HE22 GLN A 40 -22.937 4.741 -23.457 1.00 23.32 H new ATOM 650 N TYR A 41 -28.509 3.509 -19.401 1.00 54.14 N ATOM 651 CA TYR A 41 -29.924 3.163 -19.321 1.00 11.44 C ATOM 652 C TYR A 41 -30.236 1.942 -20.180 1.00 24.10 C ATOM 653 O TYR A 41 -29.677 1.771 -21.265 1.00 4.54 O ATOM 654 CB TYR A 41 -30.786 4.346 -19.763 1.00 71.30 C ATOM 655 CG TYR A 41 -30.642 4.685 -21.229 1.00 31.01 C ATOM 656 CD1 TYR A 41 -31.410 4.039 -22.191 1.00 3.14 C ATOM 657 CD2 TYR A 41 -29.739 5.651 -21.654 1.00 5.12 C ATOM 658 CE1 TYR A 41 -31.282 4.346 -23.531 1.00 45.14 C ATOM 659 CE2 TYR A 41 -29.604 5.964 -22.992 1.00 43.34 C ATOM 660 CZ TYR A 41 -30.377 5.310 -23.927 1.00 62.44 C ATOM 661 OH TYR A 41 -30.246 5.617 -25.262 1.00 43.43 O ATOM 0 H TYR A 41 -28.292 4.243 -20.075 1.00 54.14 H new ATOM 0 HA TYR A 41 -30.155 2.922 -18.283 1.00 11.44 H new ATOM 0 HB2 TYR A 41 -31.832 4.122 -19.551 1.00 71.30 H new ATOM 0 HB3 TYR A 41 -30.521 5.220 -19.169 1.00 71.30 H new ATOM 0 HD1 TYR A 41 -32.119 3.284 -21.885 1.00 3.14 H new ATOM 0 HD2 TYR A 41 -29.132 6.167 -20.925 1.00 5.12 H new ATOM 0 HE1 TYR A 41 -31.887 3.835 -24.265 1.00 45.14 H new ATOM 0 HE2 TYR A 41 -28.896 6.718 -23.304 1.00 43.34 H new ATOM 0 HH TYR A 41 -29.568 6.316 -25.372 1.00 43.43 H new ATOM 671 N THR A 42 -31.133 1.094 -19.689 1.00 21.11 N ATOM 672 CA THR A 42 -31.520 -0.112 -20.411 1.00 32.15 C ATOM 673 C THR A 42 -32.952 -0.010 -20.925 1.00 60.12 C ATOM 674 O THR A 42 -33.740 0.798 -20.435 1.00 24.24 O ATOM 675 CB THR A 42 -31.394 -1.364 -19.522 1.00 12.35 C ATOM 676 OG1 THR A 42 -32.362 -1.314 -18.467 1.00 5.45 O ATOM 677 CG2 THR A 42 -29.997 -1.469 -18.931 1.00 2.23 C ATOM 0 H THR A 42 -31.606 1.220 -18.794 1.00 21.11 H new ATOM 0 HA THR A 42 -30.839 -0.206 -21.257 1.00 32.15 H new ATOM 0 HB THR A 42 -31.576 -2.243 -20.141 1.00 12.35 H new ATOM 0 HG1 THR A 42 -32.277 -2.114 -17.907 1.00 5.45 H new ATOM 0 HG21 THR A 42 -29.932 -2.360 -18.307 1.00 2.23 H new ATOM 0 HG22 THR A 42 -29.265 -1.535 -19.736 1.00 2.23 H new ATOM 0 HG23 THR A 42 -29.791 -0.587 -18.325 1.00 2.23 H new ATOM 685 N GLU A 43 -33.281 -0.834 -21.915 1.00 20.31 N ATOM 686 CA GLU A 43 -34.618 -0.835 -22.494 1.00 54.14 C ATOM 687 C GLU A 43 -35.286 -2.197 -22.322 1.00 12.11 C ATOM 688 O GLU A 43 -34.630 -3.212 -22.091 1.00 24.25 O ATOM 689 CB GLU A 43 -34.555 -0.470 -23.979 1.00 13.40 C ATOM 690 CG GLU A 43 -34.622 1.025 -24.242 1.00 41.12 C ATOM 691 CD GLU A 43 -34.246 1.385 -25.666 1.00 21.31 C ATOM 692 OE1 GLU A 43 -33.195 0.906 -26.142 1.00 11.13 O ATOM 693 OE2 GLU A 43 -35.003 2.144 -26.305 1.00 74.21 O ATOM 0 H GLU A 43 -32.640 -1.509 -22.332 1.00 20.31 H new ATOM 0 HA GLU A 43 -35.214 -0.089 -21.968 1.00 54.14 H new ATOM 0 HB2 GLU A 43 -33.631 -0.864 -24.402 1.00 13.40 H new ATOM 0 HB3 GLU A 43 -35.378 -0.959 -24.500 1.00 13.40 H new ATOM 0 HG2 GLU A 43 -35.631 1.381 -24.036 1.00 41.12 H new ATOM 0 HG3 GLU A 43 -33.954 1.542 -23.552 1.00 41.12 H new ATOM 700 N PRO A 44 -36.622 -2.219 -22.435 1.00 71.11 N ATOM 701 CA PRO A 44 -37.408 -3.449 -22.296 1.00 3.01 C ATOM 702 C PRO A 44 -37.195 -4.408 -23.462 1.00 4.43 C ATOM 703 O PRO A 44 -36.831 -3.993 -24.562 1.00 4.10 O ATOM 704 CB PRO A 44 -38.853 -2.945 -22.275 1.00 23.55 C ATOM 705 CG PRO A 44 -38.813 -1.649 -23.008 1.00 15.25 C ATOM 706 CD PRO A 44 -37.469 -1.046 -22.710 1.00 10.01 C ATOM 0 HA PRO A 44 -37.126 -4.015 -21.408 1.00 3.01 H new ATOM 0 HB2 PRO A 44 -39.526 -3.653 -22.759 1.00 23.55 H new ATOM 0 HB3 PRO A 44 -39.211 -2.812 -21.254 1.00 23.55 H new ATOM 0 HG2 PRO A 44 -38.943 -1.802 -24.079 1.00 15.25 H new ATOM 0 HG3 PRO A 44 -39.617 -0.990 -22.680 1.00 15.25 H new ATOM 0 HD2 PRO A 44 -37.092 -0.467 -23.553 1.00 10.01 H new ATOM 0 HD3 PRO A 44 -37.512 -0.372 -21.855 1.00 10.01 H new ATOM 714 N LEU A 45 -37.423 -5.693 -23.213 1.00 70.33 N ATOM 715 CA LEU A 45 -37.257 -6.713 -24.243 1.00 13.11 C ATOM 716 C LEU A 45 -38.156 -6.428 -25.441 1.00 63.23 C ATOM 717 O LEU A 45 -39.186 -5.767 -25.314 1.00 11.12 O ATOM 718 CB LEU A 45 -37.571 -8.098 -23.673 1.00 43.43 C ATOM 719 CG LEU A 45 -39.053 -8.463 -23.574 1.00 43.42 C ATOM 720 CD1 LEU A 45 -39.218 -9.919 -23.172 1.00 5.02 C ATOM 721 CD2 LEU A 45 -39.762 -7.550 -22.584 1.00 4.12 C ATOM 0 H LEU A 45 -37.723 -6.053 -22.307 1.00 70.33 H new ATOM 0 HA LEU A 45 -36.220 -6.691 -24.577 1.00 13.11 H new ATOM 0 HB2 LEU A 45 -37.074 -8.845 -24.292 1.00 43.43 H new ATOM 0 HB3 LEU A 45 -37.133 -8.167 -22.677 1.00 43.43 H new ATOM 0 HG LEU A 45 -39.508 -8.325 -24.555 1.00 43.42 H new ATOM 0 HD11 LEU A 45 -40.279 -10.160 -23.107 1.00 5.02 H new ATOM 0 HD12 LEU A 45 -38.746 -10.558 -23.918 1.00 5.02 H new ATOM 0 HD13 LEU A 45 -38.748 -10.084 -22.203 1.00 5.02 H new ATOM 0 HD21 LEU A 45 -40.815 -7.824 -22.526 1.00 4.12 H new ATOM 0 HD22 LEU A 45 -39.305 -7.656 -21.600 1.00 4.12 H new ATOM 0 HD23 LEU A 45 -39.674 -6.515 -22.916 1.00 4.12 H new ATOM 733 N MET A 46 -37.760 -6.933 -26.605 1.00 41.14 N ATOM 734 CA MET A 46 -38.532 -6.735 -27.827 1.00 1.24 C ATOM 735 C MET A 46 -38.876 -8.073 -28.474 1.00 23.11 C ATOM 736 O MET A 46 -38.020 -8.719 -29.077 1.00 34.10 O ATOM 737 CB MET A 46 -37.753 -5.863 -28.813 1.00 5.54 C ATOM 738 CG MET A 46 -38.636 -5.151 -29.824 1.00 23.20 C ATOM 739 SD MET A 46 -38.955 -6.148 -31.292 1.00 12.12 S ATOM 740 CE MET A 46 -37.584 -5.660 -32.337 1.00 51.31 C ATOM 0 H MET A 46 -36.909 -7.482 -26.728 1.00 41.14 H new ATOM 0 HA MET A 46 -39.461 -6.229 -27.563 1.00 1.24 H new ATOM 0 HB2 MET A 46 -37.181 -5.121 -28.256 1.00 5.54 H new ATOM 0 HB3 MET A 46 -37.034 -6.485 -29.346 1.00 5.54 H new ATOM 0 HG2 MET A 46 -39.584 -4.891 -29.353 1.00 23.20 H new ATOM 0 HG3 MET A 46 -38.161 -4.216 -30.121 1.00 23.20 H new ATOM 0 HE1 MET A 46 -37.642 -6.193 -33.286 1.00 51.31 H new ATOM 0 HE2 MET A 46 -37.631 -4.587 -32.521 1.00 51.31 H new ATOM 0 HE3 MET A 46 -36.644 -5.903 -31.841 1.00 51.31 H new ATOM 750 N ASN A 47 -40.135 -8.481 -28.345 1.00 65.14 N ATOM 751 CA ASN A 47 -40.591 -9.742 -28.919 1.00 2.24 C ATOM 752 C ASN A 47 -39.728 -10.903 -28.434 1.00 35.54 C ATOM 753 O ASN A 47 -39.459 -11.845 -29.180 1.00 41.54 O ATOM 754 CB ASN A 47 -40.560 -9.673 -30.446 1.00 32.30 C ATOM 755 CG ASN A 47 -41.599 -10.575 -31.086 1.00 54.34 C ATOM 756 OD1 ASN A 47 -42.783 -10.507 -30.757 1.00 51.04 O ATOM 757 ND2 ASN A 47 -41.157 -11.425 -32.006 1.00 73.24 N ATOM 0 H ASN A 47 -40.856 -7.958 -27.849 1.00 65.14 H new ATOM 0 HA ASN A 47 -41.617 -9.912 -28.591 1.00 2.24 H new ATOM 0 HB2 ASN A 47 -40.730 -8.644 -30.764 1.00 32.30 H new ATOM 0 HB3 ASN A 47 -39.569 -9.957 -30.800 1.00 32.30 H new ATOM 0 HD21 ASN A 47 -41.809 -12.057 -32.472 1.00 73.24 H new ATOM 0 HD22 ASN A 47 -40.166 -11.446 -32.247 1.00 73.24 H new ATOM 764 N TRP A 48 -39.298 -10.831 -27.179 1.00 72.34 N ATOM 765 CA TRP A 48 -38.467 -11.876 -26.593 1.00 63.25 C ATOM 766 C TRP A 48 -37.175 -12.051 -27.386 1.00 12.35 C ATOM 767 O TRP A 48 -36.731 -13.173 -27.631 1.00 33.43 O ATOM 768 CB TRP A 48 -39.233 -13.200 -26.546 1.00 54.32 C ATOM 769 CG TRP A 48 -38.689 -14.165 -25.538 1.00 24.12 C ATOM 770 CD1 TRP A 48 -38.114 -13.859 -24.337 1.00 75.21 C ATOM 771 CD2 TRP A 48 -38.666 -15.593 -25.644 1.00 4.50 C ATOM 772 NE1 TRP A 48 -37.736 -15.011 -23.690 1.00 44.22 N ATOM 773 CE2 TRP A 48 -38.064 -16.088 -24.470 1.00 42.52 C ATOM 774 CE3 TRP A 48 -39.097 -16.501 -26.614 1.00 42.20 C ATOM 775 CZ2 TRP A 48 -37.883 -17.450 -24.245 1.00 1.32 C ATOM 776 CZ3 TRP A 48 -38.915 -17.852 -26.389 1.00 32.53 C ATOM 777 CH2 TRP A 48 -38.314 -18.316 -25.212 1.00 70.24 C ATOM 0 H TRP A 48 -39.512 -10.059 -26.547 1.00 72.34 H new ATOM 0 HA TRP A 48 -38.212 -11.576 -25.577 1.00 63.25 H new ATOM 0 HB2 TRP A 48 -40.279 -12.998 -26.317 1.00 54.32 H new ATOM 0 HB3 TRP A 48 -39.206 -13.662 -27.533 1.00 54.32 H new ATOM 0 HD1 TRP A 48 -37.977 -12.859 -23.953 1.00 75.21 H new ATOM 0 HE1 TRP A 48 -37.284 -15.057 -22.777 1.00 44.22 H new ATOM 0 HE3 TRP A 48 -39.564 -16.153 -27.524 1.00 42.20 H new ATOM 0 HZ2 TRP A 48 -37.419 -17.810 -23.339 1.00 1.32 H new ATOM 0 HZ3 TRP A 48 -39.242 -18.563 -27.134 1.00 32.53 H new ATOM 0 HH2 TRP A 48 -38.188 -19.379 -25.065 1.00 70.24 H new ATOM 788 N THR A 49 -36.574 -10.934 -27.783 1.00 52.42 N ATOM 789 CA THR A 49 -35.334 -10.963 -28.548 1.00 31.23 C ATOM 790 C THR A 49 -34.406 -9.827 -28.135 1.00 3.11 C ATOM 791 O THR A 49 -34.846 -8.696 -27.930 1.00 63.20 O ATOM 792 CB THR A 49 -35.604 -10.867 -30.062 1.00 31.04 C ATOM 793 OG1 THR A 49 -36.861 -11.478 -30.374 1.00 64.33 O ATOM 794 CG2 THR A 49 -34.495 -11.542 -30.854 1.00 14.20 C ATOM 0 H THR A 49 -36.926 -9.997 -27.587 1.00 52.42 H new ATOM 0 HA THR A 49 -34.853 -11.917 -28.333 1.00 31.23 H new ATOM 0 HB THR A 49 -35.634 -9.813 -30.338 1.00 31.04 H new ATOM 0 HG1 THR A 49 -37.591 -10.898 -30.072 1.00 64.33 H new ATOM 0 HG21 THR A 49 -34.708 -11.461 -31.920 1.00 14.20 H new ATOM 0 HG22 THR A 49 -33.544 -11.055 -30.636 1.00 14.20 H new ATOM 0 HG23 THR A 49 -34.437 -12.594 -30.574 1.00 14.20 H new ATOM 802 N GLY A 50 -33.118 -10.134 -28.016 1.00 51.31 N ATOM 803 CA GLY A 50 -32.148 -9.126 -27.629 1.00 1.14 C ATOM 804 C GLY A 50 -31.627 -9.335 -26.220 1.00 52.31 C ATOM 805 O GLY A 50 -30.495 -9.780 -26.029 1.00 73.20 O ATOM 0 H GLY A 50 -32.729 -11.062 -28.181 1.00 51.31 H new ATOM 0 HA2 GLY A 50 -31.312 -9.143 -28.329 1.00 1.14 H new ATOM 0 HA3 GLY A 50 -32.605 -8.139 -27.702 1.00 1.14 H new ATOM 809 N SER A 51 -32.453 -9.009 -25.231 1.00 21.24 N ATOM 810 CA SER A 51 -32.067 -9.158 -23.833 1.00 10.45 C ATOM 811 C SER A 51 -33.086 -10.004 -23.075 1.00 11.03 C ATOM 812 O SER A 51 -34.074 -10.464 -23.645 1.00 75.54 O ATOM 813 CB SER A 51 -31.933 -7.785 -23.170 1.00 62.52 C ATOM 814 OG SER A 51 -33.050 -6.965 -23.465 1.00 72.44 O ATOM 0 H SER A 51 -33.393 -8.640 -25.372 1.00 21.24 H new ATOM 0 HA SER A 51 -31.103 -9.666 -23.800 1.00 10.45 H new ATOM 0 HB2 SER A 51 -31.842 -7.906 -22.091 1.00 62.52 H new ATOM 0 HB3 SER A 51 -31.020 -7.299 -23.514 1.00 62.52 H new ATOM 0 HG SER A 51 -32.941 -6.094 -23.029 1.00 72.44 H new ATOM 820 N HIS A 52 -32.837 -10.204 -21.785 1.00 30.14 N ATOM 821 CA HIS A 52 -33.732 -10.993 -20.947 1.00 71.10 C ATOM 822 C HIS A 52 -34.922 -10.158 -20.484 1.00 62.02 C ATOM 823 O HIS A 52 -35.045 -8.986 -20.840 1.00 43.51 O ATOM 824 CB HIS A 52 -32.979 -11.543 -19.734 1.00 43.14 C ATOM 825 CG HIS A 52 -32.019 -12.641 -20.074 1.00 1.34 C ATOM 826 ND1 HIS A 52 -30.695 -12.629 -19.689 1.00 1.22 N ATOM 827 CD2 HIS A 52 -32.198 -13.792 -20.764 1.00 53.25 C ATOM 828 CE1 HIS A 52 -30.100 -13.723 -20.130 1.00 34.44 C ATOM 829 NE2 HIS A 52 -30.992 -14.446 -20.785 1.00 5.23 N ATOM 0 H HIS A 52 -32.023 -9.830 -21.297 1.00 30.14 H new ATOM 0 HA HIS A 52 -34.105 -11.826 -21.543 1.00 71.10 H new ATOM 0 HB2 HIS A 52 -32.434 -10.730 -19.256 1.00 43.14 H new ATOM 0 HB3 HIS A 52 -33.700 -11.914 -19.006 1.00 43.14 H new ATOM 0 HD2 HIS A 52 -33.119 -14.132 -21.214 1.00 53.25 H new ATOM 0 HE1 HIS A 52 -29.062 -13.982 -19.981 1.00 34.44 H new ATOM 0 HE2 HIS A 52 -30.813 -15.344 -21.233 1.00 5.23 H new ATOM 837 N ASP A 53 -35.796 -10.769 -19.693 1.00 2.12 N ATOM 838 CA ASP A 53 -36.977 -10.081 -19.183 1.00 1.21 C ATOM 839 C ASP A 53 -36.579 -8.898 -18.306 1.00 21.32 C ATOM 840 O ASP A 53 -35.411 -8.740 -17.948 1.00 51.21 O ATOM 841 CB ASP A 53 -37.853 -11.050 -18.386 1.00 64.24 C ATOM 842 CG ASP A 53 -38.679 -11.952 -19.282 1.00 10.13 C ATOM 843 OD1 ASP A 53 -38.130 -12.957 -19.780 1.00 71.33 O ATOM 844 OD2 ASP A 53 -39.874 -11.652 -19.486 1.00 32.50 O ATOM 0 H ASP A 53 -35.710 -11.739 -19.391 1.00 2.12 H new ATOM 0 HA ASP A 53 -37.545 -9.705 -20.034 1.00 1.21 H new ATOM 0 HB2 ASP A 53 -37.221 -11.662 -17.742 1.00 64.24 H new ATOM 0 HB3 ASP A 53 -38.517 -10.483 -17.734 1.00 64.24 H new ATOM 849 N THR A 54 -37.558 -8.066 -17.963 1.00 33.53 N ATOM 850 CA THR A 54 -37.312 -6.896 -17.130 1.00 24.45 C ATOM 851 C THR A 54 -37.182 -7.284 -15.661 1.00 23.00 C ATOM 852 O THR A 54 -38.170 -7.314 -14.927 1.00 24.25 O ATOM 853 CB THR A 54 -38.436 -5.854 -17.277 1.00 24.31 C ATOM 854 OG1 THR A 54 -39.700 -6.514 -17.416 1.00 12.42 O ATOM 855 CG2 THR A 54 -38.191 -4.960 -18.483 1.00 12.23 C ATOM 0 H THR A 54 -38.530 -8.182 -18.250 1.00 33.53 H new ATOM 0 HA THR A 54 -36.374 -6.457 -17.471 1.00 24.45 H new ATOM 0 HB THR A 54 -38.446 -5.234 -16.381 1.00 24.31 H new ATOM 0 HG1 THR A 54 -40.410 -5.845 -17.507 1.00 12.42 H new ATOM 0 HG21 THR A 54 -38.998 -4.232 -18.566 1.00 12.23 H new ATOM 0 HG22 THR A 54 -37.242 -4.438 -18.362 1.00 12.23 H new ATOM 0 HG23 THR A 54 -38.157 -5.569 -19.386 1.00 12.23 H new ATOM 863 N LYS A 55 -35.958 -7.580 -15.237 1.00 45.55 N ATOM 864 CA LYS A 55 -35.697 -7.963 -13.856 1.00 53.10 C ATOM 865 C LYS A 55 -34.295 -7.542 -13.429 1.00 25.33 C ATOM 866 O LYS A 55 -33.459 -7.203 -14.265 1.00 4.12 O ATOM 867 CB LYS A 55 -35.863 -9.475 -13.684 1.00 42.14 C ATOM 868 CG LYS A 55 -37.304 -9.910 -13.484 1.00 1.43 C ATOM 869 CD LYS A 55 -37.399 -11.392 -13.162 1.00 4.04 C ATOM 870 CE LYS A 55 -37.408 -12.238 -14.426 1.00 45.32 C ATOM 871 NZ LYS A 55 -38.730 -12.202 -15.109 1.00 13.41 N ATOM 0 H LYS A 55 -35.130 -7.562 -15.832 1.00 45.55 H new ATOM 0 HA LYS A 55 -36.419 -7.450 -13.221 1.00 53.10 H new ATOM 0 HB2 LYS A 55 -35.459 -9.979 -14.562 1.00 42.14 H new ATOM 0 HB3 LYS A 55 -35.272 -9.802 -12.829 1.00 42.14 H new ATOM 0 HG2 LYS A 55 -37.751 -9.332 -12.675 1.00 1.43 H new ATOM 0 HG3 LYS A 55 -37.878 -9.695 -14.385 1.00 1.43 H new ATOM 0 HD2 LYS A 55 -36.557 -11.684 -12.534 1.00 4.04 H new ATOM 0 HD3 LYS A 55 -38.306 -11.583 -12.588 1.00 4.04 H new ATOM 0 HE2 LYS A 55 -36.637 -11.880 -15.108 1.00 45.32 H new ATOM 0 HE3 LYS A 55 -37.157 -13.269 -14.175 1.00 45.32 H new ATOM 0 HZ1 LYS A 55 -38.738 -12.893 -15.886 1.00 13.41 H new ATOM 0 HZ2 LYS A 55 -39.479 -12.438 -14.428 1.00 13.41 H new ATOM 0 HZ3 LYS A 55 -38.897 -11.249 -15.491 1.00 13.41 H new ATOM 885 N GLN A 56 -34.044 -7.570 -12.124 1.00 33.52 N ATOM 886 CA GLN A 56 -32.742 -7.193 -11.588 1.00 2.40 C ATOM 887 C GLN A 56 -32.533 -7.785 -10.197 1.00 40.14 C ATOM 888 O GLN A 56 -33.374 -7.625 -9.313 1.00 2.20 O ATOM 889 CB GLN A 56 -32.612 -5.670 -11.532 1.00 50.52 C ATOM 890 CG GLN A 56 -33.755 -4.988 -10.797 1.00 10.14 C ATOM 891 CD GLN A 56 -33.553 -3.492 -10.663 1.00 10.45 C ATOM 892 OE1 GLN A 56 -32.546 -3.036 -10.119 1.00 22.12 O ATOM 893 NE2 GLN A 56 -34.510 -2.718 -11.159 1.00 74.22 N ATOM 0 H GLN A 56 -34.725 -7.850 -11.419 1.00 33.52 H new ATOM 0 HA GLN A 56 -31.975 -7.592 -12.251 1.00 2.40 H new ATOM 0 HB2 GLN A 56 -31.672 -5.412 -11.044 1.00 50.52 H new ATOM 0 HB3 GLN A 56 -32.561 -5.280 -12.549 1.00 50.52 H new ATOM 0 HG2 GLN A 56 -34.688 -5.179 -11.327 1.00 10.14 H new ATOM 0 HG3 GLN A 56 -33.857 -5.427 -9.805 1.00 10.14 H new ATOM 0 HE21 GLN A 56 -35.327 -3.138 -11.602 1.00 74.22 H new ATOM 0 HE22 GLN A 56 -34.428 -1.703 -11.098 1.00 74.22 H new ATOM 902 N GLN A 57 -31.408 -8.467 -10.014 1.00 34.21 N ATOM 903 CA GLN A 57 -31.090 -9.083 -8.731 1.00 20.12 C ATOM 904 C GLN A 57 -29.633 -8.838 -8.355 1.00 14.22 C ATOM 905 O GLN A 57 -28.811 -8.496 -9.205 1.00 61.41 O ATOM 906 CB GLN A 57 -31.371 -10.586 -8.780 1.00 25.13 C ATOM 907 CG GLN A 57 -32.835 -10.940 -8.574 1.00 4.41 C ATOM 908 CD GLN A 57 -33.168 -12.343 -9.042 1.00 50.41 C ATOM 909 OE1 GLN A 57 -33.305 -13.262 -8.234 1.00 24.24 O ATOM 910 NE2 GLN A 57 -33.301 -12.514 -10.352 1.00 22.00 N ATOM 0 H GLN A 57 -30.702 -8.607 -10.737 1.00 34.21 H new ATOM 0 HA GLN A 57 -31.723 -8.626 -7.970 1.00 20.12 H new ATOM 0 HB2 GLN A 57 -31.044 -10.977 -9.743 1.00 25.13 H new ATOM 0 HB3 GLN A 57 -30.775 -11.083 -8.015 1.00 25.13 H new ATOM 0 HG2 GLN A 57 -33.082 -10.846 -7.517 1.00 4.41 H new ATOM 0 HG3 GLN A 57 -33.457 -10.225 -9.112 1.00 4.41 H new ATOM 0 HE21 GLN A 57 -33.179 -11.723 -10.985 1.00 22.00 H new ATOM 0 HE22 GLN A 57 -33.526 -13.436 -10.726 1.00 22.00 H new ATOM 919 N VAL A 58 -29.319 -9.012 -7.075 1.00 73.33 N ATOM 920 CA VAL A 58 -27.960 -8.810 -6.587 1.00 35.22 C ATOM 921 C VAL A 58 -26.991 -9.790 -7.238 1.00 24.51 C ATOM 922 O VAL A 58 -25.870 -9.426 -7.595 1.00 54.52 O ATOM 923 CB VAL A 58 -27.884 -8.970 -5.057 1.00 31.43 C ATOM 924 CG1 VAL A 58 -26.501 -8.597 -4.549 1.00 1.14 C ATOM 925 CG2 VAL A 58 -28.956 -8.130 -4.379 1.00 25.11 C ATOM 0 H VAL A 58 -29.987 -9.292 -6.357 1.00 73.33 H new ATOM 0 HA VAL A 58 -27.676 -7.792 -6.853 1.00 35.22 H new ATOM 0 HB VAL A 58 -28.065 -10.016 -4.809 1.00 31.43 H new ATOM 0 HG11 VAL A 58 -26.467 -8.716 -3.466 1.00 1.14 H new ATOM 0 HG12 VAL A 58 -25.757 -9.247 -5.009 1.00 1.14 H new ATOM 0 HG13 VAL A 58 -26.286 -7.560 -4.807 1.00 1.14 H new ATOM 0 HG21 VAL A 58 -28.887 -8.255 -3.298 1.00 25.11 H new ATOM 0 HG22 VAL A 58 -28.810 -7.080 -4.632 1.00 25.11 H new ATOM 0 HG23 VAL A 58 -29.940 -8.452 -4.720 1.00 25.11 H new ATOM 935 N CYS A 59 -27.429 -11.034 -7.390 1.00 23.21 N ATOM 936 CA CYS A 59 -26.600 -12.068 -7.999 1.00 25.22 C ATOM 937 C CYS A 59 -27.201 -12.542 -9.318 1.00 34.11 C ATOM 938 O CYS A 59 -28.422 -12.563 -9.484 1.00 30.01 O ATOM 939 CB CYS A 59 -26.440 -13.252 -7.044 1.00 25.04 C ATOM 940 SG CYS A 59 -25.039 -14.329 -7.430 1.00 73.31 S ATOM 0 H CYS A 59 -28.354 -11.352 -7.100 1.00 23.21 H new ATOM 0 HA CYS A 59 -25.619 -11.638 -8.201 1.00 25.22 H new ATOM 0 HB2 CYS A 59 -26.324 -12.873 -6.029 1.00 25.04 H new ATOM 0 HB3 CYS A 59 -27.355 -13.844 -7.060 1.00 25.04 H new ATOM 0 HG CYS A 59 -24.519 -13.974 -8.567 1.00 73.31 H new ATOM 946 N LEU A 60 -26.338 -12.920 -10.255 1.00 11.40 N ATOM 947 CA LEU A 60 -26.784 -13.391 -11.561 1.00 41.02 C ATOM 948 C LEU A 60 -26.351 -14.834 -11.796 1.00 4.24 C ATOM 949 O LEU A 60 -25.169 -15.164 -11.690 1.00 40.33 O ATOM 950 CB LEU A 60 -26.227 -12.493 -12.667 1.00 31.44 C ATOM 951 CG LEU A 60 -26.249 -13.077 -14.080 1.00 1.15 C ATOM 952 CD1 LEU A 60 -27.670 -13.432 -14.489 1.00 63.11 C ATOM 953 CD2 LEU A 60 -25.635 -12.098 -15.071 1.00 31.52 C ATOM 0 H LEU A 60 -25.325 -12.909 -10.134 1.00 11.40 H new ATOM 0 HA LEU A 60 -27.873 -13.350 -11.582 1.00 41.02 H new ATOM 0 HB2 LEU A 60 -26.794 -11.562 -12.671 1.00 31.44 H new ATOM 0 HB3 LEU A 60 -25.197 -12.238 -12.417 1.00 31.44 H new ATOM 0 HG LEU A 60 -25.653 -13.990 -14.085 1.00 1.15 H new ATOM 0 HD11 LEU A 60 -27.666 -13.846 -15.497 1.00 63.11 H new ATOM 0 HD12 LEU A 60 -28.075 -14.169 -13.796 1.00 63.11 H new ATOM 0 HD13 LEU A 60 -28.290 -12.535 -14.468 1.00 63.11 H new ATOM 0 HD21 LEU A 60 -25.659 -12.530 -16.071 1.00 31.52 H new ATOM 0 HD22 LEU A 60 -26.204 -11.168 -15.064 1.00 31.52 H new ATOM 0 HD23 LEU A 60 -24.602 -11.894 -14.789 1.00 31.52 H new ATOM 965 N SER A 61 -27.315 -15.692 -12.116 1.00 35.22 N ATOM 966 CA SER A 61 -27.033 -17.101 -12.364 1.00 55.25 C ATOM 967 C SER A 61 -26.945 -17.381 -13.861 1.00 32.10 C ATOM 968 O SER A 61 -27.416 -16.592 -14.681 1.00 5.03 O ATOM 969 CB SER A 61 -28.116 -17.978 -11.732 1.00 65.14 C ATOM 970 OG SER A 61 -29.399 -17.397 -11.890 1.00 20.50 O ATOM 0 H SER A 61 -28.298 -15.436 -12.210 1.00 35.22 H new ATOM 0 HA SER A 61 -26.071 -17.340 -11.910 1.00 55.25 H new ATOM 0 HB2 SER A 61 -28.102 -18.966 -12.191 1.00 65.14 H new ATOM 0 HB3 SER A 61 -27.904 -18.116 -10.672 1.00 65.14 H new ATOM 0 HG SER A 61 -29.859 -17.380 -11.025 1.00 20.50 H new ATOM 976 N PHE A 62 -26.339 -18.512 -14.210 1.00 75.24 N ATOM 977 CA PHE A 62 -26.188 -18.898 -15.609 1.00 52.40 C ATOM 978 C PHE A 62 -26.293 -20.411 -15.769 1.00 45.12 C ATOM 979 O PHE A 62 -26.157 -21.161 -14.802 1.00 22.02 O ATOM 980 CB PHE A 62 -24.844 -18.408 -16.152 1.00 15.30 C ATOM 981 CG PHE A 62 -24.851 -16.958 -16.547 1.00 45.20 C ATOM 982 CD1 PHE A 62 -25.628 -16.518 -17.606 1.00 64.33 C ATOM 983 CD2 PHE A 62 -24.077 -16.036 -15.859 1.00 53.43 C ATOM 984 CE1 PHE A 62 -25.636 -15.185 -17.971 1.00 45.04 C ATOM 985 CE2 PHE A 62 -24.082 -14.702 -16.220 1.00 40.34 C ATOM 986 CZ PHE A 62 -24.861 -14.277 -17.278 1.00 42.44 C ATOM 0 H PHE A 62 -25.945 -19.177 -13.544 1.00 75.24 H new ATOM 0 HA PHE A 62 -26.993 -18.433 -16.178 1.00 52.40 H new ATOM 0 HB2 PHE A 62 -24.076 -18.567 -15.395 1.00 15.30 H new ATOM 0 HB3 PHE A 62 -24.569 -19.011 -17.017 1.00 15.30 H new ATOM 0 HD1 PHE A 62 -26.235 -17.225 -18.153 1.00 64.33 H new ATOM 0 HD2 PHE A 62 -23.464 -16.364 -15.032 1.00 53.43 H new ATOM 0 HE1 PHE A 62 -26.248 -14.854 -18.797 1.00 45.04 H new ATOM 0 HE2 PHE A 62 -23.477 -13.992 -15.675 1.00 40.34 H new ATOM 0 HZ PHE A 62 -24.864 -13.235 -17.563 1.00 42.44 H new ATOM 996 N THR A 63 -26.536 -20.855 -16.999 1.00 11.11 N ATOM 997 CA THR A 63 -26.660 -22.278 -17.287 1.00 74.15 C ATOM 998 C THR A 63 -25.292 -22.939 -17.397 1.00 41.42 C ATOM 999 O THR A 63 -25.053 -23.998 -16.817 1.00 60.42 O ATOM 1000 CB THR A 63 -27.440 -22.520 -18.593 1.00 74.11 C ATOM 1001 OG1 THR A 63 -28.303 -21.408 -18.862 1.00 33.23 O ATOM 1002 CG2 THR A 63 -28.263 -23.796 -18.504 1.00 20.22 C ATOM 0 H THR A 63 -26.651 -20.249 -17.811 1.00 11.11 H new ATOM 0 HA THR A 63 -27.208 -22.721 -16.456 1.00 74.15 H new ATOM 0 HB THR A 63 -26.721 -22.626 -19.405 1.00 74.11 H new ATOM 0 HG1 THR A 63 -28.794 -21.569 -19.695 1.00 33.23 H new ATOM 0 HG21 THR A 63 -28.805 -23.945 -19.438 1.00 20.22 H new ATOM 0 HG22 THR A 63 -27.601 -24.644 -18.329 1.00 20.22 H new ATOM 0 HG23 THR A 63 -28.974 -23.714 -17.682 1.00 20.22 H new ATOM 1010 N THR A 64 -24.392 -22.306 -18.144 1.00 64.12 N ATOM 1011 CA THR A 64 -23.046 -22.834 -18.331 1.00 14.14 C ATOM 1012 C THR A 64 -21.999 -21.739 -18.162 1.00 45.21 C ATOM 1013 O THR A 64 -22.311 -20.551 -18.243 1.00 44.33 O ATOM 1014 CB THR A 64 -22.882 -23.476 -19.721 1.00 1.25 C ATOM 1015 OG1 THR A 64 -23.604 -22.719 -20.699 1.00 61.11 O ATOM 1016 CG2 THR A 64 -23.380 -24.913 -19.715 1.00 24.42 C ATOM 0 H THR A 64 -24.571 -21.427 -18.629 1.00 64.12 H new ATOM 0 HA THR A 64 -22.897 -23.597 -17.568 1.00 14.14 H new ATOM 0 HB THR A 64 -21.822 -23.477 -19.974 1.00 1.25 H new ATOM 0 HG1 THR A 64 -23.493 -23.133 -21.580 1.00 61.11 H new ATOM 0 HG21 THR A 64 -23.254 -25.346 -20.707 1.00 24.42 H new ATOM 0 HG22 THR A 64 -22.808 -25.493 -18.991 1.00 24.42 H new ATOM 0 HG23 THR A 64 -24.435 -24.931 -19.442 1.00 24.42 H new ATOM 1024 N ARG A 65 -20.756 -22.147 -17.928 1.00 2.42 N ATOM 1025 CA ARG A 65 -19.662 -21.200 -17.747 1.00 12.00 C ATOM 1026 C ARG A 65 -19.495 -20.320 -18.983 1.00 13.11 C ATOM 1027 O ARG A 65 -19.233 -19.123 -18.873 1.00 52.32 O ATOM 1028 CB ARG A 65 -18.358 -21.944 -17.457 1.00 4.10 C ATOM 1029 CG ARG A 65 -18.086 -23.094 -18.413 1.00 74.02 C ATOM 1030 CD ARG A 65 -16.687 -23.659 -18.223 1.00 54.10 C ATOM 1031 NE ARG A 65 -16.652 -24.700 -17.200 1.00 72.31 N ATOM 1032 CZ ARG A 65 -15.529 -25.207 -16.707 1.00 25.14 C ATOM 1033 NH1 ARG A 65 -14.353 -24.772 -17.140 1.00 72.24 N ATOM 1034 NH2 ARG A 65 -15.578 -26.153 -15.777 1.00 22.40 N ATOM 0 H ARG A 65 -20.481 -23.127 -17.859 1.00 2.42 H new ATOM 0 HA ARG A 65 -19.904 -20.561 -16.897 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -17.529 -21.238 -17.506 1.00 4.10 H new ATOM 0 HB3 ARG A 65 -18.389 -22.330 -16.438 1.00 4.10 H new ATOM 0 HG2 ARG A 65 -18.822 -23.882 -18.254 1.00 74.02 H new ATOM 0 HG3 ARG A 65 -18.204 -22.750 -19.440 1.00 74.02 H new ATOM 0 HD2 ARG A 65 -16.329 -24.067 -19.168 1.00 54.10 H new ATOM 0 HD3 ARG A 65 -16.006 -22.855 -17.945 1.00 54.10 H new ATOM 0 HE ARG A 65 -17.539 -25.057 -16.845 1.00 72.31 H new ATOM 0 HH11 ARG A 65 -14.310 -24.045 -17.854 1.00 72.24 H new ATOM 0 HH12 ARG A 65 -13.492 -25.164 -16.759 1.00 72.24 H new ATOM 0 HH21 ARG A 65 -16.480 -26.491 -15.440 1.00 22.40 H new ATOM 0 HH22 ARG A 65 -14.714 -26.542 -15.399 1.00 22.40 H new ATOM 1048 N GLU A 66 -19.648 -20.924 -20.157 1.00 63.13 N ATOM 1049 CA GLU A 66 -19.512 -20.195 -21.413 1.00 11.13 C ATOM 1050 C GLU A 66 -20.384 -18.943 -21.412 1.00 44.31 C ATOM 1051 O GLU A 66 -20.039 -17.932 -22.027 1.00 60.21 O ATOM 1052 CB GLU A 66 -19.891 -21.093 -22.593 1.00 72.51 C ATOM 1053 CG GLU A 66 -19.206 -20.711 -23.894 1.00 53.50 C ATOM 1054 CD GLU A 66 -19.915 -19.580 -24.615 1.00 63.23 C ATOM 1055 OE1 GLU A 66 -21.142 -19.685 -24.820 1.00 52.33 O ATOM 1056 OE2 GLU A 66 -19.242 -18.592 -24.976 1.00 2.12 O ATOM 0 H GLU A 66 -19.866 -21.915 -20.265 1.00 63.13 H new ATOM 0 HA GLU A 66 -18.470 -19.891 -21.517 1.00 11.13 H new ATOM 0 HB2 GLU A 66 -19.639 -22.125 -22.349 1.00 72.51 H new ATOM 0 HB3 GLU A 66 -20.971 -21.054 -22.736 1.00 72.51 H new ATOM 0 HG2 GLU A 66 -18.177 -20.416 -23.686 1.00 53.50 H new ATOM 0 HG3 GLU A 66 -19.162 -21.583 -24.547 1.00 53.50 H new ATOM 1063 N LEU A 67 -21.514 -19.016 -20.718 1.00 24.34 N ATOM 1064 CA LEU A 67 -22.436 -17.889 -20.637 1.00 60.31 C ATOM 1065 C LEU A 67 -21.896 -16.809 -19.705 1.00 0.21 C ATOM 1066 O LEU A 67 -22.045 -15.617 -19.968 1.00 1.33 O ATOM 1067 CB LEU A 67 -23.807 -18.360 -20.150 1.00 34.24 C ATOM 1068 CG LEU A 67 -24.848 -18.635 -21.236 1.00 21.34 C ATOM 1069 CD1 LEU A 67 -26.015 -19.427 -20.667 1.00 73.43 C ATOM 1070 CD2 LEU A 67 -25.334 -17.331 -21.851 1.00 24.24 C ATOM 0 H LEU A 67 -21.814 -19.844 -20.203 1.00 24.34 H new ATOM 0 HA LEU A 67 -22.538 -17.463 -21.635 1.00 60.31 H new ATOM 0 HB2 LEU A 67 -23.670 -19.271 -19.567 1.00 34.24 H new ATOM 0 HB3 LEU A 67 -24.208 -17.606 -19.473 1.00 34.24 H new ATOM 0 HG LEU A 67 -24.380 -19.230 -22.020 1.00 21.34 H new ATOM 0 HD11 LEU A 67 -26.746 -19.614 -21.454 1.00 73.43 H new ATOM 0 HD12 LEU A 67 -25.653 -20.378 -20.275 1.00 73.43 H new ATOM 0 HD13 LEU A 67 -26.484 -18.858 -19.864 1.00 73.43 H new ATOM 0 HD21 LEU A 67 -26.074 -17.546 -22.622 1.00 24.24 H new ATOM 0 HD22 LEU A 67 -25.785 -16.710 -21.077 1.00 24.24 H new ATOM 0 HD23 LEU A 67 -24.491 -16.802 -22.295 1.00 24.24 H new ATOM 1082 N ALA A 68 -21.266 -17.236 -18.615 1.00 33.52 N ATOM 1083 CA ALA A 68 -20.700 -16.306 -17.646 1.00 21.44 C ATOM 1084 C ALA A 68 -19.531 -15.533 -18.246 1.00 25.23 C ATOM 1085 O ALA A 68 -19.592 -14.312 -18.390 1.00 33.15 O ATOM 1086 CB ALA A 68 -20.256 -17.053 -16.396 1.00 51.31 C ATOM 0 H ALA A 68 -21.135 -18.220 -18.381 1.00 33.52 H new ATOM 0 HA ALA A 68 -21.473 -15.588 -17.372 1.00 21.44 H new ATOM 0 HB1 ALA A 68 -19.835 -16.347 -15.680 1.00 51.31 H new ATOM 0 HB2 ALA A 68 -21.114 -17.555 -15.949 1.00 51.31 H new ATOM 0 HB3 ALA A 68 -19.501 -17.792 -16.663 1.00 51.31 H new ATOM 1092 N ILE A 69 -18.467 -16.251 -18.592 1.00 74.33 N ATOM 1093 CA ILE A 69 -17.285 -15.630 -19.177 1.00 21.51 C ATOM 1094 C ILE A 69 -17.656 -14.756 -20.370 1.00 64.31 C ATOM 1095 O ILE A 69 -17.041 -13.718 -20.606 1.00 45.34 O ATOM 1096 CB ILE A 69 -16.260 -16.688 -19.628 1.00 30.05 C ATOM 1097 CG1 ILE A 69 -15.790 -17.517 -18.432 1.00 0.23 C ATOM 1098 CG2 ILE A 69 -15.078 -16.020 -20.314 1.00 10.51 C ATOM 1099 CD1 ILE A 69 -16.386 -18.907 -18.387 1.00 5.22 C ATOM 0 H ILE A 69 -18.400 -17.262 -18.477 1.00 74.33 H new ATOM 0 HA ILE A 69 -16.837 -15.009 -18.401 1.00 21.51 H new ATOM 0 HB ILE A 69 -16.740 -17.357 -20.343 1.00 30.05 H new ATOM 0 HG12 ILE A 69 -14.703 -17.597 -18.461 1.00 0.23 H new ATOM 0 HG13 ILE A 69 -16.046 -16.991 -17.513 1.00 0.23 H new ATOM 0 HG21 ILE A 69 -14.362 -16.780 -20.627 1.00 10.51 H new ATOM 0 HG22 ILE A 69 -15.428 -15.469 -21.187 1.00 10.51 H new ATOM 0 HG23 ILE A 69 -14.596 -15.332 -19.620 1.00 10.51 H new ATOM 0 HD11 ILE A 69 -16.008 -19.437 -17.513 1.00 5.22 H new ATOM 0 HD12 ILE A 69 -17.472 -18.835 -18.326 1.00 5.22 H new ATOM 0 HD13 ILE A 69 -16.108 -19.451 -19.289 1.00 5.22 H new ATOM 1111 N ALA A 70 -18.668 -15.184 -21.119 1.00 1.15 N ATOM 1112 CA ALA A 70 -19.124 -14.439 -22.285 1.00 25.31 C ATOM 1113 C ALA A 70 -19.632 -13.057 -21.890 1.00 4.54 C ATOM 1114 O ALA A 70 -19.421 -12.079 -22.607 1.00 62.15 O ATOM 1115 CB ALA A 70 -20.211 -15.213 -23.015 1.00 22.21 C ATOM 0 H ALA A 70 -19.187 -16.043 -20.938 1.00 1.15 H new ATOM 0 HA ALA A 70 -18.274 -14.308 -22.955 1.00 25.31 H new ATOM 0 HB1 ALA A 70 -20.542 -14.644 -23.884 1.00 22.21 H new ATOM 0 HB2 ALA A 70 -19.816 -16.175 -23.340 1.00 22.21 H new ATOM 0 HB3 ALA A 70 -21.055 -15.375 -22.345 1.00 22.21 H new ATOM 1121 N TYR A 71 -20.299 -12.982 -20.744 1.00 34.21 N ATOM 1122 CA TYR A 71 -20.840 -11.719 -20.255 1.00 32.44 C ATOM 1123 C TYR A 71 -19.719 -10.762 -19.865 1.00 5.32 C ATOM 1124 O TYR A 71 -19.702 -9.605 -20.283 1.00 42.24 O ATOM 1125 CB TYR A 71 -21.756 -11.964 -19.054 1.00 74.43 C ATOM 1126 CG TYR A 71 -22.725 -10.833 -18.791 1.00 43.52 C ATOM 1127 CD1 TYR A 71 -23.482 -10.287 -19.821 1.00 20.20 C ATOM 1128 CD2 TYR A 71 -22.880 -10.308 -17.515 1.00 21.41 C ATOM 1129 CE1 TYR A 71 -24.367 -9.253 -19.585 1.00 65.24 C ATOM 1130 CE2 TYR A 71 -23.764 -9.275 -17.270 1.00 43.30 C ATOM 1131 CZ TYR A 71 -24.505 -8.751 -18.309 1.00 1.44 C ATOM 1132 OH TYR A 71 -25.385 -7.721 -18.069 1.00 40.14 O ATOM 0 H TYR A 71 -20.478 -13.781 -20.136 1.00 34.21 H new ATOM 0 HA TYR A 71 -21.419 -11.265 -21.059 1.00 32.44 H new ATOM 0 HB2 TYR A 71 -22.319 -12.883 -19.218 1.00 74.43 H new ATOM 0 HB3 TYR A 71 -21.143 -12.120 -18.166 1.00 74.43 H new ATOM 0 HD1 TYR A 71 -23.376 -10.678 -20.822 1.00 20.20 H new ATOM 0 HD2 TYR A 71 -22.299 -10.714 -16.700 1.00 21.41 H new ATOM 0 HE1 TYR A 71 -24.948 -8.840 -20.396 1.00 65.24 H new ATOM 0 HE2 TYR A 71 -23.874 -8.880 -16.271 1.00 43.30 H new ATOM 0 HH TYR A 71 -25.362 -7.486 -17.118 1.00 40.14 H new ATOM 1142 N ALA A 72 -18.782 -11.254 -19.061 1.00 43.31 N ATOM 1143 CA ALA A 72 -17.654 -10.444 -18.616 1.00 14.43 C ATOM 1144 C ALA A 72 -16.803 -9.991 -19.797 1.00 63.23 C ATOM 1145 O ALA A 72 -16.599 -8.795 -20.006 1.00 60.51 O ATOM 1146 CB ALA A 72 -16.807 -11.222 -17.620 1.00 5.42 C ATOM 0 H ALA A 72 -18.782 -12.210 -18.704 1.00 43.31 H new ATOM 0 HA ALA A 72 -18.049 -9.555 -18.125 1.00 14.43 H new ATOM 0 HB1 ALA A 72 -15.968 -10.606 -17.296 1.00 5.42 H new ATOM 0 HB2 ALA A 72 -17.415 -11.490 -16.756 1.00 5.42 H new ATOM 0 HB3 ALA A 72 -16.430 -12.128 -18.093 1.00 5.42 H new ATOM 1152 N VAL A 73 -16.308 -10.955 -20.568 1.00 70.04 N ATOM 1153 CA VAL A 73 -15.479 -10.655 -21.730 1.00 32.10 C ATOM 1154 C VAL A 73 -16.156 -9.636 -22.640 1.00 14.24 C ATOM 1155 O VAL A 73 -15.491 -8.855 -23.319 1.00 24.23 O ATOM 1156 CB VAL A 73 -15.170 -11.926 -22.542 1.00 54.31 C ATOM 1157 CG1 VAL A 73 -14.342 -11.586 -23.771 1.00 43.25 C ATOM 1158 CG2 VAL A 73 -14.455 -12.951 -21.674 1.00 43.34 C ATOM 0 H VAL A 73 -16.467 -11.950 -20.409 1.00 70.04 H new ATOM 0 HA VAL A 73 -14.545 -10.238 -21.353 1.00 32.10 H new ATOM 0 HB VAL A 73 -16.112 -12.361 -22.877 1.00 54.31 H new ATOM 0 HG11 VAL A 73 -14.133 -12.497 -24.332 1.00 43.25 H new ATOM 0 HG12 VAL A 73 -14.895 -10.890 -24.401 1.00 43.25 H new ATOM 0 HG13 VAL A 73 -13.403 -11.127 -23.462 1.00 43.25 H new ATOM 0 HG21 VAL A 73 -14.244 -13.843 -22.264 1.00 43.34 H new ATOM 0 HG22 VAL A 73 -13.519 -12.528 -21.308 1.00 43.34 H new ATOM 0 HG23 VAL A 73 -15.089 -13.217 -20.828 1.00 43.34 H new ATOM 1168 N ALA A 74 -17.486 -9.648 -22.647 1.00 22.50 N ATOM 1169 CA ALA A 74 -18.253 -8.724 -23.471 1.00 70.14 C ATOM 1170 C ALA A 74 -17.805 -7.284 -23.246 1.00 4.24 C ATOM 1171 O ALA A 74 -17.885 -6.450 -24.148 1.00 42.40 O ATOM 1172 CB ALA A 74 -19.740 -8.866 -23.179 1.00 22.32 C ATOM 0 H ALA A 74 -18.053 -10.288 -22.091 1.00 22.50 H new ATOM 0 HA ALA A 74 -18.072 -8.974 -24.516 1.00 70.14 H new ATOM 0 HB1 ALA A 74 -20.301 -8.169 -23.802 1.00 22.32 H new ATOM 0 HB2 ALA A 74 -20.058 -9.885 -23.397 1.00 22.32 H new ATOM 0 HB3 ALA A 74 -19.927 -8.645 -22.128 1.00 22.32 H new ATOM 1178 N HIS A 75 -17.332 -6.999 -22.037 1.00 2.41 N ATOM 1179 CA HIS A 75 -16.870 -5.659 -21.692 1.00 65.24 C ATOM 1180 C HIS A 75 -15.437 -5.696 -21.169 1.00 52.20 C ATOM 1181 O HIS A 75 -15.022 -4.826 -20.402 1.00 44.24 O ATOM 1182 CB HIS A 75 -17.791 -5.031 -20.647 1.00 73.34 C ATOM 1183 CG HIS A 75 -17.626 -3.548 -20.516 1.00 4.30 C ATOM 1184 ND1 HIS A 75 -17.895 -2.667 -21.542 1.00 2.33 N ATOM 1185 CD2 HIS A 75 -17.218 -2.792 -19.471 1.00 14.33 C ATOM 1186 CE1 HIS A 75 -17.658 -1.433 -21.134 1.00 3.24 C ATOM 1187 NE2 HIS A 75 -17.246 -1.481 -19.880 1.00 31.23 N ATOM 0 H HIS A 75 -17.259 -7.678 -21.280 1.00 2.41 H new ATOM 0 HA HIS A 75 -16.892 -5.051 -22.596 1.00 65.24 H new ATOM 0 HB2 HIS A 75 -18.826 -5.251 -20.908 1.00 73.34 H new ATOM 0 HB3 HIS A 75 -17.600 -5.496 -19.680 1.00 73.34 H new ATOM 0 HD2 HIS A 75 -16.925 -3.152 -18.496 1.00 14.33 H new ATOM 0 HE1 HIS A 75 -17.780 -0.537 -21.725 1.00 3.24 H new ATOM 0 HE2 HIS A 75 -16.990 -0.676 -19.308 1.00 31.23 H new ATOM 1195 N LYS A 76 -14.686 -6.709 -21.586 1.00 4.32 N ATOM 1196 CA LYS A 76 -13.299 -6.861 -21.159 1.00 60.32 C ATOM 1197 C LYS A 76 -13.188 -6.795 -19.639 1.00 64.43 C ATOM 1198 O LYS A 76 -12.314 -6.115 -19.101 1.00 61.53 O ATOM 1199 CB LYS A 76 -12.428 -5.774 -21.793 1.00 12.13 C ATOM 1200 CG LYS A 76 -12.132 -6.012 -23.263 1.00 51.02 C ATOM 1201 CD LYS A 76 -13.312 -5.624 -24.139 1.00 44.34 C ATOM 1202 CE LYS A 76 -12.935 -5.622 -25.613 1.00 23.31 C ATOM 1203 NZ LYS A 76 -12.763 -7.003 -26.143 1.00 73.53 N ATOM 0 H LYS A 76 -15.014 -7.438 -22.220 1.00 4.32 H new ATOM 0 HA LYS A 76 -12.947 -7.838 -21.489 1.00 60.32 H new ATOM 0 HB2 LYS A 76 -12.926 -4.811 -21.683 1.00 12.13 H new ATOM 0 HB3 LYS A 76 -11.487 -5.710 -21.247 1.00 12.13 H new ATOM 0 HG2 LYS A 76 -11.255 -5.436 -23.556 1.00 51.02 H new ATOM 0 HG3 LYS A 76 -11.890 -7.063 -23.421 1.00 51.02 H new ATOM 0 HD2 LYS A 76 -14.134 -6.321 -23.974 1.00 44.34 H new ATOM 0 HD3 LYS A 76 -13.670 -4.635 -23.852 1.00 44.34 H new ATOM 0 HE2 LYS A 76 -13.707 -5.107 -26.185 1.00 23.31 H new ATOM 0 HE3 LYS A 76 -12.010 -5.062 -25.751 1.00 23.31 H new ATOM 0 HZ1 LYS A 76 -12.507 -6.959 -27.150 1.00 73.53 H new ATOM 0 HZ2 LYS A 76 -12.009 -7.486 -25.614 1.00 73.53 H new ATOM 0 HZ3 LYS A 76 -13.653 -7.530 -26.035 1.00 73.53 H new ATOM 1217 N ILE A 77 -14.076 -7.508 -18.954 1.00 63.22 N ATOM 1218 CA ILE A 77 -14.074 -7.532 -17.497 1.00 13.34 C ATOM 1219 C ILE A 77 -13.303 -8.737 -16.968 1.00 43.50 C ATOM 1220 O ILE A 77 -13.386 -9.832 -17.523 1.00 44.01 O ATOM 1221 CB ILE A 77 -15.507 -7.566 -16.933 1.00 10.15 C ATOM 1222 CG1 ILE A 77 -16.297 -6.348 -17.415 1.00 25.22 C ATOM 1223 CG2 ILE A 77 -15.476 -7.616 -15.413 1.00 0.34 C ATOM 1224 CD1 ILE A 77 -17.792 -6.493 -17.245 1.00 75.05 C ATOM 0 H ILE A 77 -14.805 -8.076 -19.385 1.00 63.22 H new ATOM 0 HA ILE A 77 -13.584 -6.616 -17.167 1.00 13.34 H new ATOM 0 HB ILE A 77 -16.004 -8.465 -17.297 1.00 10.15 H new ATOM 0 HG12 ILE A 77 -15.961 -5.467 -16.868 1.00 25.22 H new ATOM 0 HG13 ILE A 77 -16.074 -6.174 -18.468 1.00 25.22 H new ATOM 0 HG21 ILE A 77 -16.496 -7.640 -15.029 1.00 0.34 H new ATOM 0 HG22 ILE A 77 -14.945 -8.511 -15.089 1.00 0.34 H new ATOM 0 HG23 ILE A 77 -14.964 -6.733 -15.030 1.00 0.34 H new ATOM 0 HD11 ILE A 77 -18.288 -5.593 -17.607 1.00 75.05 H new ATOM 0 HD12 ILE A 77 -18.141 -7.354 -17.815 1.00 75.05 H new ATOM 0 HD13 ILE A 77 -18.026 -6.637 -16.190 1.00 75.05 H new ATOM 1236 N ASP A 78 -12.555 -8.527 -15.890 1.00 41.04 N ATOM 1237 CA ASP A 78 -11.770 -9.596 -15.284 1.00 61.23 C ATOM 1238 C ASP A 78 -12.677 -10.606 -14.586 1.00 40.42 C ATOM 1239 O ASP A 78 -13.198 -10.342 -13.503 1.00 31.33 O ATOM 1240 CB ASP A 78 -10.766 -9.018 -14.285 1.00 54.32 C ATOM 1241 CG ASP A 78 -9.555 -8.412 -14.967 1.00 34.22 C ATOM 1242 OD1 ASP A 78 -8.615 -9.169 -15.289 1.00 4.03 O ATOM 1243 OD2 ASP A 78 -9.548 -7.183 -15.179 1.00 41.34 O ATOM 0 H ASP A 78 -12.476 -7.626 -15.418 1.00 41.04 H new ATOM 0 HA ASP A 78 -11.226 -10.109 -16.077 1.00 61.23 H new ATOM 0 HB2 ASP A 78 -11.258 -8.256 -13.680 1.00 54.32 H new ATOM 0 HB3 ASP A 78 -10.440 -9.805 -13.605 1.00 54.32 H new ATOM 1248 N TYR A 79 -12.860 -11.761 -15.215 1.00 62.33 N ATOM 1249 CA TYR A 79 -13.705 -12.809 -14.657 1.00 32.31 C ATOM 1250 C TYR A 79 -12.864 -13.886 -13.978 1.00 64.01 C ATOM 1251 O TYR A 79 -11.839 -14.316 -14.508 1.00 24.14 O ATOM 1252 CB TYR A 79 -14.568 -13.437 -15.753 1.00 22.33 C ATOM 1253 CG TYR A 79 -13.764 -14.053 -16.877 1.00 32.10 C ATOM 1254 CD1 TYR A 79 -13.301 -15.361 -16.791 1.00 12.41 C ATOM 1255 CD2 TYR A 79 -13.467 -13.327 -18.024 1.00 22.22 C ATOM 1256 CE1 TYR A 79 -12.567 -15.927 -17.814 1.00 3.45 C ATOM 1257 CE2 TYR A 79 -12.734 -13.886 -19.053 1.00 25.24 C ATOM 1258 CZ TYR A 79 -12.285 -15.186 -18.943 1.00 32.41 C ATOM 1259 OH TYR A 79 -11.554 -15.746 -19.965 1.00 35.02 O ATOM 0 H TYR A 79 -12.434 -11.995 -16.112 1.00 62.33 H new ATOM 0 HA TYR A 79 -14.354 -12.354 -13.908 1.00 32.31 H new ATOM 0 HB2 TYR A 79 -15.203 -14.203 -15.309 1.00 22.33 H new ATOM 0 HB3 TYR A 79 -15.229 -12.675 -16.165 1.00 22.33 H new ATOM 0 HD1 TYR A 79 -13.519 -15.944 -15.909 1.00 12.41 H new ATOM 0 HD2 TYR A 79 -13.815 -12.308 -18.113 1.00 22.22 H new ATOM 0 HE1 TYR A 79 -12.215 -16.945 -17.731 1.00 3.45 H new ATOM 0 HE2 TYR A 79 -12.514 -13.309 -19.939 1.00 25.24 H new ATOM 0 HH TYR A 79 -11.445 -15.091 -20.686 1.00 35.02 H new ATOM 1269 N THR A 80 -13.304 -14.317 -12.800 1.00 42.01 N ATOM 1270 CA THR A 80 -12.592 -15.342 -12.047 1.00 23.12 C ATOM 1271 C THR A 80 -13.435 -16.604 -11.904 1.00 61.02 C ATOM 1272 O THR A 80 -14.558 -16.560 -11.402 1.00 22.11 O ATOM 1273 CB THR A 80 -12.201 -14.839 -10.644 1.00 42.11 C ATOM 1274 OG1 THR A 80 -11.548 -15.883 -9.914 1.00 1.32 O ATOM 1275 CG2 THR A 80 -13.427 -14.367 -9.877 1.00 41.34 C ATOM 0 H THR A 80 -14.150 -13.972 -12.347 1.00 42.01 H new ATOM 0 HA THR A 80 -11.686 -15.574 -12.608 1.00 23.12 H new ATOM 0 HB THR A 80 -11.519 -13.997 -10.761 1.00 42.11 H new ATOM 0 HG1 THR A 80 -11.301 -15.555 -9.024 1.00 1.32 H new ATOM 0 HG21 THR A 80 -13.126 -14.017 -8.890 1.00 41.34 H new ATOM 0 HG22 THR A 80 -13.905 -13.552 -10.421 1.00 41.34 H new ATOM 0 HG23 THR A 80 -14.130 -15.193 -9.770 1.00 41.34 H new ATOM 1283 N VAL A 81 -12.886 -17.730 -12.350 1.00 50.30 N ATOM 1284 CA VAL A 81 -13.587 -19.006 -12.271 1.00 43.43 C ATOM 1285 C VAL A 81 -13.159 -19.793 -11.036 1.00 40.03 C ATOM 1286 O VAL A 81 -11.987 -20.136 -10.882 1.00 5.15 O ATOM 1287 CB VAL A 81 -13.335 -19.863 -13.525 1.00 32.51 C ATOM 1288 CG1 VAL A 81 -14.020 -19.251 -14.737 1.00 62.13 C ATOM 1289 CG2 VAL A 81 -11.842 -20.023 -13.770 1.00 41.02 C ATOM 0 H VAL A 81 -11.958 -17.784 -12.770 1.00 50.30 H new ATOM 0 HA VAL A 81 -14.651 -18.779 -12.203 1.00 43.43 H new ATOM 0 HB VAL A 81 -13.761 -20.853 -13.359 1.00 32.51 H new ATOM 0 HG11 VAL A 81 -13.831 -19.871 -15.614 1.00 62.13 H new ATOM 0 HG12 VAL A 81 -15.094 -19.194 -14.558 1.00 62.13 H new ATOM 0 HG13 VAL A 81 -13.627 -18.249 -14.909 1.00 62.13 H new ATOM 0 HG21 VAL A 81 -11.683 -20.631 -14.660 1.00 41.02 H new ATOM 0 HG22 VAL A 81 -11.390 -19.042 -13.915 1.00 41.02 H new ATOM 0 HG23 VAL A 81 -11.382 -20.510 -12.910 1.00 41.02 H new ATOM 1299 N LEU A 82 -14.117 -20.075 -10.161 1.00 11.32 N ATOM 1300 CA LEU A 82 -13.840 -20.822 -8.938 1.00 5.10 C ATOM 1301 C LEU A 82 -14.442 -22.221 -9.008 1.00 10.23 C ATOM 1302 O LEU A 82 -15.662 -22.380 -9.058 1.00 44.12 O ATOM 1303 CB LEU A 82 -14.394 -20.075 -7.724 1.00 43.34 C ATOM 1304 CG LEU A 82 -14.260 -20.789 -6.379 1.00 0.30 C ATOM 1305 CD1 LEU A 82 -12.797 -21.054 -6.059 1.00 11.04 C ATOM 1306 CD2 LEU A 82 -14.909 -19.970 -5.273 1.00 55.03 C ATOM 0 H LEU A 82 -15.092 -19.798 -10.275 1.00 11.32 H new ATOM 0 HA LEU A 82 -12.759 -20.916 -8.835 1.00 5.10 H new ATOM 0 HB2 LEU A 82 -13.889 -19.112 -7.653 1.00 43.34 H new ATOM 0 HB3 LEU A 82 -15.450 -19.869 -7.900 1.00 43.34 H new ATOM 0 HG LEU A 82 -14.776 -21.747 -6.445 1.00 0.30 H new ATOM 0 HD11 LEU A 82 -12.721 -21.563 -5.098 1.00 11.04 H new ATOM 0 HD12 LEU A 82 -12.362 -21.681 -6.837 1.00 11.04 H new ATOM 0 HD13 LEU A 82 -12.258 -20.108 -6.012 1.00 11.04 H new ATOM 0 HD21 LEU A 82 -14.804 -20.494 -4.323 1.00 55.03 H new ATOM 0 HD22 LEU A 82 -14.422 -18.997 -5.207 1.00 55.03 H new ATOM 0 HD23 LEU A 82 -15.967 -19.831 -5.496 1.00 55.03 H new ATOM 1318 N GLN A 83 -13.579 -23.232 -9.007 1.00 52.05 N ATOM 1319 CA GLN A 83 -14.027 -24.618 -9.068 1.00 65.11 C ATOM 1320 C GLN A 83 -13.388 -25.447 -7.958 1.00 40.04 C ATOM 1321 O GLN A 83 -12.208 -25.281 -7.648 1.00 22.20 O ATOM 1322 CB GLN A 83 -13.690 -25.226 -10.431 1.00 41.22 C ATOM 1323 CG GLN A 83 -12.240 -25.031 -10.842 1.00 65.52 C ATOM 1324 CD GLN A 83 -11.783 -26.049 -11.870 1.00 15.13 C ATOM 1325 OE1 GLN A 83 -10.950 -26.907 -11.582 1.00 24.31 O ATOM 1326 NE2 GLN A 83 -12.329 -25.957 -13.077 1.00 2.12 N ATOM 0 H GLN A 83 -12.566 -23.117 -8.965 1.00 52.05 H new ATOM 0 HA GLN A 83 -15.108 -24.629 -8.929 1.00 65.11 H new ATOM 0 HB2 GLN A 83 -13.912 -26.293 -10.409 1.00 41.22 H new ATOM 0 HB3 GLN A 83 -14.336 -24.781 -11.188 1.00 41.22 H new ATOM 0 HG2 GLN A 83 -12.113 -24.028 -11.248 1.00 65.52 H new ATOM 0 HG3 GLN A 83 -11.604 -25.100 -9.960 1.00 65.52 H new ATOM 0 HE21 GLN A 83 -13.016 -25.229 -13.272 1.00 2.12 H new ATOM 0 HE22 GLN A 83 -12.061 -26.614 -13.809 1.00 2.12 H new ATOM 1335 N ASP A 84 -14.175 -26.337 -7.364 1.00 1.34 N ATOM 1336 CA ASP A 84 -13.686 -27.192 -6.288 1.00 54.15 C ATOM 1337 C ASP A 84 -13.262 -28.554 -6.827 1.00 21.15 C ATOM 1338 O ASP A 84 -13.796 -29.030 -7.828 1.00 71.21 O ATOM 1339 CB ASP A 84 -14.764 -27.366 -5.216 1.00 44.21 C ATOM 1340 CG ASP A 84 -14.209 -27.932 -3.924 1.00 45.14 C ATOM 1341 OD1 ASP A 84 -13.013 -27.707 -3.642 1.00 71.33 O ATOM 1342 OD2 ASP A 84 -14.971 -28.600 -3.195 1.00 60.41 O ATOM 0 H ASP A 84 -15.154 -26.485 -7.609 1.00 1.34 H new ATOM 0 HA ASP A 84 -12.816 -26.711 -5.842 1.00 54.15 H new ATOM 0 HB2 ASP A 84 -15.232 -26.402 -5.016 1.00 44.21 H new ATOM 0 HB3 ASP A 84 -15.544 -28.027 -5.593 1.00 44.21 H new ATOM 1347 N ASN A 85 -12.298 -29.176 -6.156 1.00 65.01 N ATOM 1348 CA ASN A 85 -11.800 -30.483 -6.569 1.00 12.34 C ATOM 1349 C ASN A 85 -11.349 -30.458 -8.026 1.00 22.23 C ATOM 1350 O ASN A 85 -11.971 -31.053 -8.905 1.00 33.43 O ATOM 1351 CB ASN A 85 -12.882 -31.547 -6.377 1.00 33.12 C ATOM 1352 CG ASN A 85 -13.050 -31.945 -4.923 1.00 34.50 C ATOM 1353 OD1 ASN A 85 -12.234 -31.593 -4.073 1.00 3.33 O ATOM 1354 ND2 ASN A 85 -14.115 -32.684 -4.632 1.00 14.04 N ATOM 0 H ASN A 85 -11.846 -28.796 -5.324 1.00 65.01 H new ATOM 0 HA ASN A 85 -10.941 -30.731 -5.946 1.00 12.34 H new ATOM 0 HB2 ASN A 85 -13.830 -31.170 -6.760 1.00 33.12 H new ATOM 0 HB3 ASN A 85 -12.629 -32.429 -6.965 1.00 33.12 H new ATOM 0 HD21 ASN A 85 -14.282 -32.982 -3.671 1.00 14.04 H new ATOM 0 HD22 ASN A 85 -14.766 -32.953 -5.370 1.00 14.04 H new ATOM 1361 N PRO A 86 -10.237 -29.754 -8.289 1.00 15.10 N ATOM 1362 CA PRO A 86 -9.677 -29.635 -9.638 1.00 53.23 C ATOM 1363 C PRO A 86 -9.080 -30.947 -10.135 1.00 3.03 C ATOM 1364 O PRO A 86 -7.963 -31.311 -9.766 1.00 74.00 O ATOM 1365 CB PRO A 86 -8.582 -28.577 -9.476 1.00 33.23 C ATOM 1366 CG PRO A 86 -8.193 -28.652 -8.039 1.00 24.43 C ATOM 1367 CD PRO A 86 -9.444 -29.019 -7.290 1.00 21.11 C ATOM 0 HA PRO A 86 -10.438 -29.372 -10.373 1.00 53.23 H new ATOM 0 HB2 PRO A 86 -7.733 -28.783 -10.127 1.00 33.23 H new ATOM 0 HB3 PRO A 86 -8.949 -27.584 -9.736 1.00 33.23 H new ATOM 0 HG2 PRO A 86 -7.413 -29.397 -7.884 1.00 24.43 H new ATOM 0 HG3 PRO A 86 -7.796 -27.698 -7.692 1.00 24.43 H new ATOM 0 HD2 PRO A 86 -9.224 -29.636 -6.419 1.00 21.11 H new ATOM 0 HD3 PRO A 86 -9.971 -28.135 -6.930 1.00 21.11 H new ATOM 1375 N ARG A 87 -9.830 -31.653 -10.974 1.00 33.20 N ATOM 1376 CA ARG A 87 -9.375 -32.925 -11.521 1.00 62.24 C ATOM 1377 C ARG A 87 -9.179 -32.829 -13.031 1.00 3.21 C ATOM 1378 O ARG A 87 -9.815 -32.014 -13.701 1.00 4.24 O ATOM 1379 CB ARG A 87 -10.379 -34.033 -11.196 1.00 51.14 C ATOM 1380 CG ARG A 87 -11.680 -33.922 -11.974 1.00 73.42 C ATOM 1381 CD ARG A 87 -11.634 -34.739 -13.256 1.00 35.41 C ATOM 1382 NE ARG A 87 -12.142 -33.988 -14.402 1.00 0.31 N ATOM 1383 CZ ARG A 87 -13.434 -33.801 -14.644 1.00 22.41 C ATOM 1384 NH1 ARG A 87 -14.346 -34.307 -13.826 1.00 13.14 N ATOM 1385 NH2 ARG A 87 -13.816 -33.106 -15.708 1.00 55.10 N ATOM 0 H ARG A 87 -10.756 -31.365 -11.290 1.00 33.20 H new ATOM 0 HA ARG A 87 -8.416 -33.166 -11.062 1.00 62.24 H new ATOM 0 HB2 ARG A 87 -9.921 -35.000 -11.406 1.00 51.14 H new ATOM 0 HB3 ARG A 87 -10.600 -34.010 -10.129 1.00 51.14 H new ATOM 0 HG2 ARG A 87 -12.507 -34.265 -11.352 1.00 73.42 H new ATOM 0 HG3 ARG A 87 -11.873 -32.877 -12.214 1.00 73.42 H new ATOM 0 HD2 ARG A 87 -10.607 -35.049 -13.452 1.00 35.41 H new ATOM 0 HD3 ARG A 87 -12.222 -35.648 -13.128 1.00 35.41 H new ATOM 0 HE ARG A 87 -11.467 -33.585 -15.052 1.00 0.31 H new ATOM 0 HH11 ARG A 87 -14.056 -34.842 -13.007 1.00 13.14 H new ATOM 0 HH12 ARG A 87 -15.338 -34.161 -14.015 1.00 13.14 H new ATOM 0 HH21 ARG A 87 -13.117 -32.715 -16.340 1.00 55.10 H new ATOM 0 HH22 ARG A 87 -14.809 -32.962 -15.894 1.00 55.10 H new ATOM 1399 N THR A 88 -8.293 -33.666 -13.562 1.00 24.54 N ATOM 1400 CA THR A 88 -8.011 -33.675 -14.992 1.00 44.44 C ATOM 1401 C THR A 88 -8.392 -35.010 -15.620 1.00 55.12 C ATOM 1402 O THR A 88 -8.625 -35.993 -14.916 1.00 73.11 O ATOM 1403 CB THR A 88 -6.522 -33.395 -15.272 1.00 63.12 C ATOM 1404 OG1 THR A 88 -5.717 -34.462 -14.756 1.00 74.10 O ATOM 1405 CG2 THR A 88 -6.091 -32.078 -14.645 1.00 23.34 C ATOM 0 H THR A 88 -7.758 -34.347 -13.023 1.00 24.54 H new ATOM 0 HA THR A 88 -8.613 -32.883 -15.438 1.00 44.44 H new ATOM 0 HB THR A 88 -6.385 -33.326 -16.351 1.00 63.12 H new ATOM 0 HG1 THR A 88 -4.772 -34.277 -14.940 1.00 74.10 H new ATOM 0 HG21 THR A 88 -5.036 -31.902 -14.856 1.00 23.34 H new ATOM 0 HG22 THR A 88 -6.685 -31.265 -15.062 1.00 23.34 H new ATOM 0 HG23 THR A 88 -6.243 -32.122 -13.566 1.00 23.34 H new ATOM 1413 N ILE A 89 -8.455 -35.038 -16.947 1.00 71.20 N ATOM 1414 CA ILE A 89 -8.807 -36.254 -17.669 1.00 23.01 C ATOM 1415 C ILE A 89 -7.601 -36.823 -18.409 1.00 43.32 C ATOM 1416 O ILE A 89 -6.808 -36.081 -18.990 1.00 74.13 O ATOM 1417 CB ILE A 89 -9.942 -36.001 -18.679 1.00 73.01 C ATOM 1418 CG1 ILE A 89 -11.110 -35.286 -17.998 1.00 11.52 C ATOM 1419 CG2 ILE A 89 -10.405 -37.313 -19.296 1.00 11.03 C ATOM 1420 CD1 ILE A 89 -12.246 -34.949 -18.939 1.00 2.14 C ATOM 0 H ILE A 89 -8.267 -34.232 -17.544 1.00 71.20 H new ATOM 0 HA ILE A 89 -9.147 -36.975 -16.925 1.00 23.01 H new ATOM 0 HB ILE A 89 -9.563 -35.361 -19.476 1.00 73.01 H new ATOM 0 HG12 ILE A 89 -11.491 -35.915 -17.193 1.00 11.52 H new ATOM 0 HG13 ILE A 89 -10.745 -34.367 -17.539 1.00 11.52 H new ATOM 0 HG21 ILE A 89 -11.207 -37.117 -20.007 1.00 11.03 H new ATOM 0 HG22 ILE A 89 -9.570 -37.787 -19.812 1.00 11.03 H new ATOM 0 HG23 ILE A 89 -10.770 -37.976 -18.511 1.00 11.03 H new ATOM 0 HD11 ILE A 89 -13.038 -34.444 -18.387 1.00 2.14 H new ATOM 0 HD12 ILE A 89 -11.881 -34.294 -19.730 1.00 2.14 H new ATOM 0 HD13 ILE A 89 -12.638 -35.866 -19.379 1.00 2.14 H new ATOM 1432 N VAL A 90 -7.469 -38.146 -18.385 1.00 45.34 N ATOM 1433 CA VAL A 90 -6.361 -38.815 -19.057 1.00 72.00 C ATOM 1434 C VAL A 90 -6.865 -39.748 -20.152 1.00 52.41 C ATOM 1435 O VAL A 90 -6.844 -40.971 -20.018 1.00 4.12 O ATOM 1436 CB VAL A 90 -5.508 -39.624 -18.062 1.00 71.11 C ATOM 1437 CG1 VAL A 90 -4.657 -38.694 -17.209 1.00 10.01 C ATOM 1438 CG2 VAL A 90 -6.395 -40.499 -17.189 1.00 64.12 C ATOM 0 H VAL A 90 -8.115 -38.775 -17.908 1.00 45.34 H new ATOM 0 HA VAL A 90 -5.744 -38.035 -19.504 1.00 72.00 H new ATOM 0 HB VAL A 90 -4.839 -40.273 -18.627 1.00 71.11 H new ATOM 0 HG11 VAL A 90 -4.061 -39.283 -16.512 1.00 10.01 H new ATOM 0 HG12 VAL A 90 -3.995 -38.114 -17.852 1.00 10.01 H new ATOM 0 HG13 VAL A 90 -5.305 -38.018 -16.651 1.00 10.01 H new ATOM 0 HG21 VAL A 90 -5.776 -41.064 -16.492 1.00 64.12 H new ATOM 0 HG22 VAL A 90 -7.089 -39.871 -16.631 1.00 64.12 H new ATOM 0 HG23 VAL A 90 -6.956 -41.190 -17.818 1.00 64.12 H new ATOM 1448 N PRO A 91 -7.330 -39.159 -21.264 1.00 1.54 N ATOM 1449 CA PRO A 91 -7.848 -39.918 -22.406 1.00 0.14 C ATOM 1450 C PRO A 91 -6.749 -40.672 -23.148 1.00 15.44 C ATOM 1451 O PRO A 91 -5.667 -40.135 -23.387 1.00 30.25 O ATOM 1452 CB PRO A 91 -8.455 -38.838 -23.304 1.00 14.03 C ATOM 1453 CG PRO A 91 -7.714 -37.594 -22.955 1.00 72.25 C ATOM 1454 CD PRO A 91 -7.385 -37.704 -21.491 1.00 61.55 C ATOM 0 HA PRO A 91 -8.559 -40.684 -22.097 1.00 0.14 H new ATOM 0 HB2 PRO A 91 -8.336 -39.087 -24.358 1.00 14.03 H new ATOM 0 HB3 PRO A 91 -9.524 -38.726 -23.122 1.00 14.03 H new ATOM 0 HG2 PRO A 91 -6.807 -37.499 -23.553 1.00 72.25 H new ATOM 0 HG3 PRO A 91 -8.320 -36.710 -23.153 1.00 72.25 H new ATOM 0 HD2 PRO A 91 -6.435 -37.224 -21.255 1.00 61.55 H new ATOM 0 HD3 PRO A 91 -8.145 -37.229 -20.871 1.00 61.55 H new ATOM 1462 N LYS A 92 -7.033 -41.918 -23.509 1.00 32.12 N ATOM 1463 CA LYS A 92 -6.070 -42.746 -24.225 1.00 3.05 C ATOM 1464 C LYS A 92 -6.148 -42.496 -25.728 1.00 34.23 C ATOM 1465 O LYS A 92 -6.944 -43.122 -26.429 1.00 1.43 O ATOM 1466 CB LYS A 92 -6.320 -44.226 -23.929 1.00 22.31 C ATOM 1467 CG LYS A 92 -6.209 -44.581 -22.456 1.00 54.51 C ATOM 1468 CD LYS A 92 -4.783 -44.938 -22.074 1.00 23.00 C ATOM 1469 CE LYS A 92 -4.035 -43.736 -21.519 1.00 11.23 C ATOM 1470 NZ LYS A 92 -4.254 -43.574 -20.055 1.00 5.04 N ATOM 0 H LYS A 92 -7.923 -42.377 -23.317 1.00 32.12 H new ATOM 0 HA LYS A 92 -5.071 -42.477 -23.882 1.00 3.05 H new ATOM 0 HB2 LYS A 92 -7.314 -44.496 -24.285 1.00 22.31 H new ATOM 0 HB3 LYS A 92 -5.606 -44.826 -24.493 1.00 22.31 H new ATOM 0 HG2 LYS A 92 -6.549 -43.740 -21.852 1.00 54.51 H new ATOM 0 HG3 LYS A 92 -6.867 -45.420 -22.233 1.00 54.51 H new ATOM 0 HD2 LYS A 92 -4.793 -45.736 -21.331 1.00 23.00 H new ATOM 0 HD3 LYS A 92 -4.257 -45.323 -22.948 1.00 23.00 H new ATOM 0 HE2 LYS A 92 -2.969 -43.849 -21.716 1.00 11.23 H new ATOM 0 HE3 LYS A 92 -4.361 -42.834 -22.037 1.00 11.23 H new ATOM 0 HZ1 LYS A 92 -3.728 -42.744 -19.715 1.00 5.04 H new ATOM 0 HZ2 LYS A 92 -5.268 -43.441 -19.868 1.00 5.04 H new ATOM 0 HZ3 LYS A 92 -3.919 -44.424 -19.558 1.00 5.04 H new ATOM 1484 N SER A 93 -5.319 -41.579 -26.215 1.00 64.10 N ATOM 1485 CA SER A 93 -5.297 -41.246 -27.634 1.00 45.42 C ATOM 1486 C SER A 93 -4.450 -42.247 -28.414 1.00 53.12 C ATOM 1487 O SER A 93 -3.224 -42.255 -28.309 1.00 4.13 O ATOM 1488 CB SER A 93 -4.752 -39.831 -27.839 1.00 3.52 C ATOM 1489 OG SER A 93 -4.953 -39.395 -29.172 1.00 71.41 O ATOM 0 H SER A 93 -4.654 -41.053 -25.648 1.00 64.10 H new ATOM 0 HA SER A 93 -6.320 -41.292 -28.009 1.00 45.42 H new ATOM 0 HB2 SER A 93 -5.245 -39.145 -27.150 1.00 3.52 H new ATOM 0 HB3 SER A 93 -3.688 -39.810 -27.603 1.00 3.52 H new ATOM 0 HG SER A 93 -4.598 -38.488 -29.277 1.00 71.41 H new ATOM 1495 N TYR A 94 -5.114 -43.090 -29.197 1.00 50.12 N ATOM 1496 CA TYR A 94 -4.424 -44.098 -29.994 1.00 51.30 C ATOM 1497 C TYR A 94 -5.250 -44.484 -31.217 1.00 72.42 C ATOM 1498 O TYR A 94 -6.341 -45.041 -31.093 1.00 52.43 O ATOM 1499 CB TYR A 94 -4.135 -45.338 -29.147 1.00 14.43 C ATOM 1500 CG TYR A 94 -2.903 -46.098 -29.586 1.00 14.50 C ATOM 1501 CD1 TYR A 94 -1.677 -45.457 -29.711 1.00 2.24 C ATOM 1502 CD2 TYR A 94 -2.966 -47.456 -29.873 1.00 52.55 C ATOM 1503 CE1 TYR A 94 -0.549 -46.146 -30.112 1.00 20.44 C ATOM 1504 CE2 TYR A 94 -1.843 -48.153 -30.273 1.00 73.03 C ATOM 1505 CZ TYR A 94 -0.637 -47.495 -30.391 1.00 42.13 C ATOM 1506 OH TYR A 94 0.485 -48.186 -30.790 1.00 54.15 O ATOM 0 H TYR A 94 -6.129 -43.096 -29.297 1.00 50.12 H new ATOM 0 HA TYR A 94 -3.481 -43.672 -30.335 1.00 51.30 H new ATOM 0 HB2 TYR A 94 -4.014 -45.037 -28.106 1.00 14.43 H new ATOM 0 HB3 TYR A 94 -4.997 -46.004 -29.188 1.00 14.43 H new ATOM 0 HD1 TYR A 94 -1.605 -44.402 -29.491 1.00 2.24 H new ATOM 0 HD2 TYR A 94 -3.909 -47.975 -29.782 1.00 52.55 H new ATOM 0 HE1 TYR A 94 0.396 -45.632 -30.207 1.00 20.44 H new ATOM 0 HE2 TYR A 94 -1.909 -49.208 -30.492 1.00 73.03 H new ATOM 0 HH TYR A 94 0.253 -49.125 -30.946 1.00 54.15 H new ATOM 1516 N ALA A 95 -4.721 -44.187 -32.399 1.00 12.52 N ATOM 1517 CA ALA A 95 -5.407 -44.504 -33.645 1.00 64.33 C ATOM 1518 C ALA A 95 -5.053 -45.909 -34.123 1.00 71.42 C ATOM 1519 O ALA A 95 -4.454 -46.081 -35.185 1.00 32.11 O ATOM 1520 CB ALA A 95 -5.061 -43.479 -34.715 1.00 13.20 C ATOM 0 H ALA A 95 -3.819 -43.727 -32.520 1.00 12.52 H new ATOM 0 HA ALA A 95 -6.480 -44.470 -33.459 1.00 64.33 H new ATOM 0 HB1 ALA A 95 -5.581 -43.729 -35.640 1.00 13.20 H new ATOM 0 HB2 ALA A 95 -5.369 -42.488 -34.382 1.00 13.20 H new ATOM 0 HB3 ALA A 95 -3.985 -43.485 -34.890 1.00 13.20 H new ATOM 1526 N ASP A 96 -5.428 -46.909 -33.334 1.00 14.55 N ATOM 1527 CA ASP A 96 -5.150 -48.299 -33.676 1.00 34.12 C ATOM 1528 C ASP A 96 -6.150 -48.815 -34.707 1.00 53.11 C ATOM 1529 O ASP A 96 -7.127 -49.477 -34.361 1.00 3.13 O ATOM 1530 CB ASP A 96 -5.194 -49.174 -32.422 1.00 71.23 C ATOM 1531 CG ASP A 96 -4.358 -50.431 -32.564 1.00 72.52 C ATOM 1532 OD1 ASP A 96 -3.842 -50.678 -33.674 1.00 12.02 O ATOM 1533 OD2 ASP A 96 -4.222 -51.169 -31.566 1.00 72.23 O ATOM 0 H ASP A 96 -5.926 -46.783 -32.453 1.00 14.55 H new ATOM 0 HA ASP A 96 -4.151 -48.348 -34.109 1.00 34.12 H new ATOM 0 HB2 ASP A 96 -4.837 -48.598 -31.568 1.00 71.23 H new ATOM 0 HB3 ASP A 96 -6.227 -49.450 -32.211 1.00 71.23 H new ATOM 1538 N ASN A 97 -5.898 -48.503 -35.974 1.00 71.53 N ATOM 1539 CA ASN A 97 -6.778 -48.934 -37.056 1.00 0.53 C ATOM 1540 C ASN A 97 -5.969 -49.406 -38.259 1.00 4.21 C ATOM 1541 O ASN A 97 -4.948 -48.811 -38.607 1.00 4.34 O ATOM 1542 CB ASN A 97 -7.708 -47.792 -37.469 1.00 75.12 C ATOM 1543 CG ASN A 97 -9.013 -48.294 -38.058 1.00 44.24 C ATOM 1544 OD1 ASN A 97 -9.902 -48.742 -37.334 1.00 74.25 O ATOM 1545 ND2 ASN A 97 -9.132 -48.222 -39.379 1.00 4.51 N ATOM 0 H ASN A 97 -5.093 -47.954 -36.277 1.00 71.53 H new ATOM 0 HA ASN A 97 -7.377 -49.769 -36.693 1.00 0.53 H new ATOM 0 HB2 ASN A 97 -7.920 -47.168 -36.601 1.00 75.12 H new ATOM 0 HB3 ASN A 97 -7.202 -47.161 -38.199 1.00 75.12 H new ATOM 0 HD21 ASN A 97 -9.986 -48.546 -39.832 1.00 4.51 H new ATOM 0 HD22 ASN A 97 -8.369 -47.843 -39.940 1.00 4.51 H new ATOM 1552 N PHE A 98 -6.431 -50.479 -38.893 1.00 1.44 N ATOM 1553 CA PHE A 98 -5.750 -51.032 -40.058 1.00 72.21 C ATOM 1554 C PHE A 98 -6.758 -51.521 -41.094 1.00 45.25 C ATOM 1555 O PHE A 98 -7.898 -51.847 -40.765 1.00 73.11 O ATOM 1556 CB PHE A 98 -4.832 -52.183 -39.641 1.00 10.55 C ATOM 1557 CG PHE A 98 -5.515 -53.218 -38.794 1.00 71.25 C ATOM 1558 CD1 PHE A 98 -6.328 -54.179 -39.374 1.00 72.02 C ATOM 1559 CD2 PHE A 98 -5.346 -53.232 -37.419 1.00 4.51 C ATOM 1560 CE1 PHE A 98 -6.959 -55.133 -38.598 1.00 13.33 C ATOM 1561 CE2 PHE A 98 -5.974 -54.183 -36.638 1.00 24.03 C ATOM 1562 CZ PHE A 98 -6.780 -55.135 -37.228 1.00 34.20 C ATOM 0 H PHE A 98 -7.275 -50.983 -38.619 1.00 1.44 H new ATOM 0 HA PHE A 98 -5.148 -50.241 -40.506 1.00 72.21 H new ATOM 0 HB2 PHE A 98 -4.434 -52.662 -40.536 1.00 10.55 H new ATOM 0 HB3 PHE A 98 -3.982 -51.778 -39.091 1.00 10.55 H new ATOM 0 HD1 PHE A 98 -6.470 -54.182 -40.445 1.00 72.02 H new ATOM 0 HD2 PHE A 98 -4.715 -52.490 -36.952 1.00 4.51 H new ATOM 0 HE1 PHE A 98 -7.591 -55.876 -39.062 1.00 13.33 H new ATOM 0 HE2 PHE A 98 -5.834 -54.181 -35.567 1.00 24.03 H new ATOM 0 HZ PHE A 98 -7.270 -55.881 -36.620 1.00 34.20 H new ATOM 1572 N THR A 99 -6.327 -51.569 -42.351 1.00 53.14 N ATOM 1573 CA THR A 99 -7.190 -52.016 -43.438 1.00 71.35 C ATOM 1574 C THR A 99 -6.519 -53.113 -44.257 1.00 35.23 C ATOM 1575 O THR A 99 -5.359 -53.453 -44.027 1.00 34.35 O ATOM 1576 CB THR A 99 -7.565 -50.851 -44.373 1.00 52.44 C ATOM 1577 OG1 THR A 99 -6.384 -50.300 -44.968 1.00 72.34 O ATOM 1578 CG2 THR A 99 -8.309 -49.763 -43.612 1.00 61.32 C ATOM 0 H THR A 99 -5.386 -51.304 -42.641 1.00 53.14 H new ATOM 0 HA THR A 99 -8.097 -52.411 -42.979 1.00 71.35 H new ATOM 0 HB THR A 99 -8.219 -51.238 -45.154 1.00 52.44 H new ATOM 0 HG1 THR A 99 -6.631 -49.561 -45.562 1.00 72.34 H new ATOM 0 HG21 THR A 99 -8.563 -48.951 -44.293 1.00 61.32 H new ATOM 0 HG22 THR A 99 -9.222 -50.177 -43.185 1.00 61.32 H new ATOM 0 HG23 THR A 99 -7.675 -49.380 -42.812 1.00 61.32 H new ATOM 1586 N LYS A 100 -7.258 -53.666 -45.213 1.00 50.13 N ATOM 1587 CA LYS A 100 -6.735 -54.725 -46.068 1.00 54.14 C ATOM 1588 C LYS A 100 -7.220 -54.553 -47.504 1.00 22.01 C ATOM 1589 O LYS A 100 -8.261 -53.950 -47.766 1.00 5.25 O ATOM 1590 CB LYS A 100 -7.160 -56.095 -45.535 1.00 71.04 C ATOM 1591 CG LYS A 100 -8.658 -56.226 -45.321 1.00 25.13 C ATOM 1592 CD LYS A 100 -9.296 -57.120 -46.372 1.00 43.20 C ATOM 1593 CE LYS A 100 -9.283 -58.579 -45.945 1.00 20.31 C ATOM 1594 NZ LYS A 100 -10.389 -59.351 -46.576 1.00 35.21 N ATOM 0 H LYS A 100 -8.221 -53.398 -45.415 1.00 50.13 H new ATOM 0 HA LYS A 100 -5.647 -54.661 -46.060 1.00 54.14 H new ATOM 0 HB2 LYS A 100 -6.832 -56.865 -46.234 1.00 71.04 H new ATOM 0 HB3 LYS A 100 -6.649 -56.283 -44.591 1.00 71.04 H new ATOM 0 HG2 LYS A 100 -8.850 -56.635 -44.329 1.00 25.13 H new ATOM 0 HG3 LYS A 100 -9.119 -55.239 -45.354 1.00 25.13 H new ATOM 0 HD2 LYS A 100 -10.323 -56.800 -46.548 1.00 43.20 H new ATOM 0 HD3 LYS A 100 -8.762 -57.011 -47.316 1.00 43.20 H new ATOM 0 HE2 LYS A 100 -8.327 -59.028 -46.214 1.00 20.31 H new ATOM 0 HE3 LYS A 100 -9.370 -58.641 -44.860 1.00 20.31 H new ATOM 0 HZ1 LYS A 100 -10.346 -60.341 -46.260 1.00 35.21 H new ATOM 0 HZ2 LYS A 100 -11.303 -58.938 -46.299 1.00 35.21 H new ATOM 0 HZ3 LYS A 100 -10.292 -59.314 -47.611 1.00 35.21 H new ATOM 1608 N PRO A 101 -6.449 -55.097 -48.459 1.00 20.25 N ATOM 1609 CA PRO A 101 -6.781 -55.019 -49.884 1.00 2.01 C ATOM 1610 C PRO A 101 -7.996 -55.868 -50.244 1.00 4.54 C ATOM 1611 O PRO A 101 -8.184 -56.959 -49.706 1.00 2.40 O ATOM 1612 CB PRO A 101 -5.526 -55.562 -50.571 1.00 31.31 C ATOM 1613 CG PRO A 101 -4.893 -56.450 -49.556 1.00 44.30 C ATOM 1614 CD PRO A 101 -5.195 -55.830 -48.219 1.00 45.13 C ATOM 0 HA PRO A 101 -7.044 -54.005 -50.186 1.00 2.01 H new ATOM 0 HB2 PRO A 101 -5.778 -56.113 -51.477 1.00 31.31 H new ATOM 0 HB3 PRO A 101 -4.855 -54.755 -50.865 1.00 31.31 H new ATOM 0 HG2 PRO A 101 -5.295 -57.461 -49.617 1.00 44.30 H new ATOM 0 HG3 PRO A 101 -3.818 -56.524 -49.718 1.00 44.30 H new ATOM 0 HD2 PRO A 101 -5.314 -56.586 -47.443 1.00 45.13 H new ATOM 0 HD3 PRO A 101 -4.396 -55.164 -47.895 1.00 45.13 H new ATOM 1622 N ARG A 102 -8.818 -55.360 -51.156 1.00 50.44 N ATOM 1623 CA ARG A 102 -10.014 -56.071 -51.587 1.00 32.52 C ATOM 1624 C ARG A 102 -9.701 -57.010 -52.750 1.00 14.42 C ATOM 1625 O ARG A 102 -8.557 -57.103 -53.194 1.00 1.45 O ATOM 1626 CB ARG A 102 -11.104 -55.079 -51.999 1.00 1.30 C ATOM 1627 CG ARG A 102 -10.844 -54.410 -53.338 1.00 70.32 C ATOM 1628 CD ARG A 102 -11.685 -53.154 -53.506 1.00 64.03 C ATOM 1629 NE ARG A 102 -12.991 -53.445 -54.091 1.00 60.13 N ATOM 1630 CZ ARG A 102 -13.931 -52.526 -54.284 1.00 21.11 C ATOM 1631 NH1 ARG A 102 -13.710 -51.265 -53.941 1.00 1.41 N ATOM 1632 NH2 ARG A 102 -15.095 -52.869 -54.822 1.00 42.41 N ATOM 0 H ARG A 102 -8.677 -54.458 -51.611 1.00 50.44 H new ATOM 0 HA ARG A 102 -10.372 -56.667 -50.748 1.00 32.52 H new ATOM 0 HB2 ARG A 102 -12.060 -55.600 -52.043 1.00 1.30 H new ATOM 0 HB3 ARG A 102 -11.194 -54.311 -51.230 1.00 1.30 H new ATOM 0 HG2 ARG A 102 -9.787 -54.155 -53.420 1.00 70.32 H new ATOM 0 HG3 ARG A 102 -11.067 -55.109 -54.144 1.00 70.32 H new ATOM 0 HD2 ARG A 102 -11.821 -52.676 -52.536 1.00 64.03 H new ATOM 0 HD3 ARG A 102 -11.154 -52.444 -54.140 1.00 64.03 H new ATOM 0 HE ARG A 102 -13.193 -54.406 -54.366 1.00 60.13 H new ATOM 0 HH11 ARG A 102 -12.817 -50.998 -53.528 1.00 1.41 H new ATOM 0 HH12 ARG A 102 -14.433 -50.562 -54.090 1.00 1.41 H new ATOM 0 HH21 ARG A 102 -15.268 -53.839 -55.087 1.00 42.41 H new ATOM 0 HH22 ARG A 102 -15.816 -52.163 -54.970 1.00 42.41 H new ATOM 1646 N ASP A 103 -10.724 -57.701 -53.237 1.00 74.30 N ATOM 1647 CA ASP A 103 -10.559 -58.632 -54.348 1.00 0.11 C ATOM 1648 C ASP A 103 -11.487 -58.270 -55.504 1.00 10.44 C ATOM 1649 O ASP A 103 -12.411 -57.472 -55.343 1.00 64.12 O ATOM 1650 CB ASP A 103 -10.833 -60.063 -53.887 1.00 24.52 C ATOM 1651 CG ASP A 103 -10.083 -60.416 -52.617 1.00 31.21 C ATOM 1652 OD1 ASP A 103 -8.928 -60.880 -52.718 1.00 61.34 O ATOM 1653 OD2 ASP A 103 -10.652 -60.228 -51.521 1.00 62.34 O ATOM 0 H ASP A 103 -11.677 -57.635 -52.880 1.00 74.30 H new ATOM 0 HA ASP A 103 -9.529 -58.562 -54.698 1.00 0.11 H new ATOM 0 HB2 ASP A 103 -11.903 -60.189 -53.721 1.00 24.52 H new ATOM 0 HB3 ASP A 103 -10.549 -60.757 -54.678 1.00 24.52 H new ATOM 1658 N MET A 104 -11.234 -58.860 -56.667 1.00 20.53 N ATOM 1659 CA MET A 104 -12.048 -58.600 -57.849 1.00 1.32 C ATOM 1660 C MET A 104 -13.490 -59.043 -57.624 1.00 45.44 C ATOM 1661 O MET A 104 -14.405 -58.582 -58.308 1.00 11.12 O ATOM 1662 CB MET A 104 -11.464 -59.321 -59.065 1.00 4.30 C ATOM 1663 CG MET A 104 -11.849 -58.685 -60.391 1.00 21.34 C ATOM 1664 SD MET A 104 -11.331 -59.670 -61.810 1.00 14.35 S ATOM 1665 CE MET A 104 -9.826 -58.821 -62.280 1.00 52.23 C ATOM 0 H MET A 104 -10.472 -59.521 -56.817 1.00 20.53 H new ATOM 0 HA MET A 104 -12.042 -57.526 -58.035 1.00 1.32 H new ATOM 0 HB2 MET A 104 -10.377 -59.337 -58.981 1.00 4.30 H new ATOM 0 HB3 MET A 104 -11.799 -60.358 -59.058 1.00 4.30 H new ATOM 0 HG2 MET A 104 -12.930 -58.548 -60.424 1.00 21.34 H new ATOM 0 HG3 MET A 104 -11.400 -57.694 -60.458 1.00 21.34 H new ATOM 0 HE1 MET A 104 -9.386 -59.314 -63.147 1.00 52.23 H new ATOM 0 HE2 MET A 104 -10.055 -57.785 -62.529 1.00 52.23 H new ATOM 0 HE3 MET A 104 -9.119 -58.847 -61.450 1.00 52.23 H new TER 1675 MET A 104