USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot 180:sc= 0.0974 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 162:sc= 0.097 (180deg=0) USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= -0.075 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.98 X(o=0.91,f=0.87) USER MOD Set 3.1: A 18 TYR OH : rot -31:sc= 1.01 USER MOD Set 3.2: A 43 TYR OH : rot 179:sc= 1.2 USER MOD Set 4.1: A 17 THR OG1 : rot 152:sc= 0.954 USER MOD Set 4.2: A 31 GLN : amide:sc= 0.635 K(o=1.6,f=-0.48) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.065) USER MOD Single : A 3 MET CE :methyl -176:sc= 0 (180deg=-0.0229) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 150:sc= 0.0166 USER MOD Single : A 9 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.093) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 32 THR OG1 : rot -69:sc= 1.19 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 40 SER OG : rot -54:sc= 1.19 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.8) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 50 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.71) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 49:sc= 0.0112 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0627 USER MOD Single : A 67 GLN : amide:sc= -0.161 K(o=-0.16,f=-7.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.205 K(o=0.21,f=-2.6!) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= 2.48 (180deg=1.43) USER MOD Single : A 75 THR OG1 : rot 69:sc= 1.15 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.802) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 1.94 (180deg=0.425!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.027) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 0.824 (180deg=-0.339) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.439 13.718 -1.259 1.00 0.00 N ATOM 2 CA GLY A 1 27.812 14.502 -0.193 1.00 0.00 C ATOM 3 C GLY A 1 26.489 15.049 -0.669 1.00 0.00 C ATOM 4 O GLY A 1 25.443 14.517 -0.295 1.00 0.00 O ATOM 0 H1 GLY A 1 29.350 13.344 -0.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.816 12.928 -1.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.597 14.325 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.662 13.879 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.469 15.320 0.103 1.00 0.00 H new ATOM 8 N HIS A 2 26.533 16.081 -1.515 1.00 0.00 N ATOM 9 CA HIS A 2 25.392 16.901 -1.905 1.00 0.00 C ATOM 10 C HIS A 2 24.809 17.609 -0.668 1.00 0.00 C ATOM 11 O HIS A 2 25.361 17.490 0.428 1.00 0.00 O ATOM 12 CB HIS A 2 24.376 16.056 -2.699 1.00 0.00 C ATOM 13 CG HIS A 2 23.588 16.779 -3.762 1.00 0.00 C ATOM 14 ND1 HIS A 2 22.800 16.165 -4.708 1.00 0.00 N ATOM 15 CD2 HIS A 2 23.558 18.121 -4.025 1.00 0.00 C ATOM 16 CE1 HIS A 2 22.296 17.106 -5.520 1.00 0.00 C ATOM 17 NE2 HIS A 2 22.707 18.316 -5.113 1.00 0.00 N ATOM 0 H HIS A 2 27.400 16.377 -1.963 1.00 0.00 H new ATOM 0 HA HIS A 2 25.703 17.695 -2.583 1.00 0.00 H new ATOM 0 HB2 HIS A 2 24.912 15.233 -3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 2 23.672 15.615 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 2 24.095 18.889 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 2 21.658 16.918 -6.371 1.00 0.00 H new ATOM 0 HE2 HIS A 2 22.446 19.213 -5.523 1.00 0.00 H new ATOM 25 N MET A 3 23.728 18.381 -0.819 1.00 0.00 N ATOM 26 CA MET A 3 23.135 19.077 0.323 1.00 0.00 C ATOM 27 C MET A 3 22.484 18.071 1.274 1.00 0.00 C ATOM 28 O MET A 3 22.450 18.301 2.480 1.00 0.00 O ATOM 29 CB MET A 3 22.099 20.104 -0.160 1.00 0.00 C ATOM 30 CG MET A 3 21.607 21.010 0.981 1.00 0.00 C ATOM 31 SD MET A 3 20.145 22.016 0.600 1.00 0.00 S ATOM 32 CE MET A 3 20.835 23.077 -0.700 1.00 0.00 C ATOM 0 H MET A 3 23.253 18.537 -1.708 1.00 0.00 H new ATOM 0 HA MET A 3 23.923 19.605 0.860 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.537 20.718 -0.947 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.249 19.582 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.383 20.386 1.846 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.420 21.676 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.089 23.812 -1.004 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.717 23.592 -0.319 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.113 22.466 -1.559 1.00 0.00 H new ATOM 42 N GLN A 4 21.926 16.990 0.730 1.00 0.00 N ATOM 43 CA GLN A 4 20.855 16.243 1.358 1.00 0.00 C ATOM 44 C GLN A 4 21.069 14.750 1.161 1.00 0.00 C ATOM 45 O GLN A 4 21.712 14.334 0.195 1.00 0.00 O ATOM 46 CB GLN A 4 19.518 16.705 0.744 1.00 0.00 C ATOM 47 CG GLN A 4 19.364 16.336 -0.748 1.00 0.00 C ATOM 48 CD GLN A 4 18.211 17.085 -1.407 1.00 0.00 C ATOM 49 OE1 GLN A 4 17.045 16.699 -1.304 1.00 0.00 O ATOM 50 NE2 GLN A 4 18.498 18.178 -2.094 1.00 0.00 N ATOM 0 H GLN A 4 22.214 16.610 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 4 20.841 16.429 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.697 16.261 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 4 19.432 17.786 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.291 16.562 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.199 15.263 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.466 18.491 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.752 18.708 -2.544 1.00 0.00 H new ATOM 59 N GLU A 5 20.458 13.950 2.028 1.00 0.00 N ATOM 60 CA GLU A 5 20.328 12.517 1.853 1.00 0.00 C ATOM 61 C GLU A 5 19.096 12.284 0.984 1.00 0.00 C ATOM 62 O GLU A 5 19.215 12.111 -0.229 1.00 0.00 O ATOM 63 CB GLU A 5 20.300 11.748 3.188 1.00 0.00 C ATOM 64 CG GLU A 5 19.673 12.536 4.338 1.00 0.00 C ATOM 65 CD GLU A 5 19.346 11.661 5.547 1.00 0.00 C ATOM 66 OE1 GLU A 5 20.270 11.301 6.313 1.00 0.00 O ATOM 67 OE2 GLU A 5 18.151 11.370 5.765 1.00 0.00 O ATOM 0 H GLU A 5 20.032 14.292 2.889 1.00 0.00 H new ATOM 0 HA GLU A 5 21.209 12.114 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.746 10.820 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.319 11.474 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.355 13.329 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.761 13.018 3.987 1.00 0.00 H new ATOM 74 N SER A 6 17.921 12.284 1.606 1.00 0.00 N ATOM 75 CA SER A 6 16.684 11.784 1.029 1.00 0.00 C ATOM 76 C SER A 6 15.483 12.115 1.923 1.00 0.00 C ATOM 77 O SER A 6 14.423 11.508 1.799 1.00 0.00 O ATOM 78 CB SER A 6 16.850 10.269 0.816 1.00 0.00 C ATOM 79 OG SER A 6 17.465 9.584 1.899 1.00 0.00 O ATOM 0 H SER A 6 17.803 12.643 2.553 1.00 0.00 H new ATOM 0 HA SER A 6 16.484 12.267 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.868 9.831 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.442 10.104 -0.084 1.00 0.00 H new ATOM 0 HG SER A 6 17.532 8.630 1.687 1.00 0.00 H new ATOM 85 N TYR A 7 15.644 13.039 2.871 1.00 0.00 N ATOM 86 CA TYR A 7 14.741 13.234 3.968 1.00 0.00 C ATOM 87 C TYR A 7 13.630 14.147 3.499 1.00 0.00 C ATOM 88 O TYR A 7 13.886 15.259 3.032 1.00 0.00 O ATOM 89 CB TYR A 7 15.498 13.829 5.151 1.00 0.00 C ATOM 90 CG TYR A 7 14.725 13.599 6.418 1.00 0.00 C ATOM 91 CD1 TYR A 7 14.860 12.367 7.077 1.00 0.00 C ATOM 92 CD2 TYR A 7 13.817 14.565 6.874 1.00 0.00 C ATOM 93 CE1 TYR A 7 14.094 12.101 8.223 1.00 0.00 C ATOM 94 CE2 TYR A 7 13.060 14.312 8.032 1.00 0.00 C ATOM 95 CZ TYR A 7 13.205 13.082 8.717 1.00 0.00 C ATOM 96 OH TYR A 7 12.511 12.836 9.860 1.00 0.00 O ATOM 0 H TYR A 7 16.435 13.683 2.882 1.00 0.00 H new ATOM 0 HA TYR A 7 14.310 12.289 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.485 13.374 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.651 14.897 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 7 15.551 11.626 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 7 13.700 15.496 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 7 14.184 11.149 8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.368 15.056 8.398 1.00 0.00 H new ATOM 0 HH TYR A 7 11.943 13.607 10.070 1.00 0.00 H new ATOM 106 N SER A 8 12.409 13.642 3.561 1.00 0.00 N ATOM 107 CA SER A 8 11.236 14.368 3.125 1.00 0.00 C ATOM 108 C SER A 8 10.019 13.774 3.814 1.00 0.00 C ATOM 109 O SER A 8 9.402 14.458 4.629 1.00 0.00 O ATOM 110 CB SER A 8 11.175 14.341 1.597 1.00 0.00 C ATOM 111 OG SER A 8 11.290 13.042 1.043 1.00 0.00 O ATOM 0 H SER A 8 12.206 12.709 3.919 1.00 0.00 H new ATOM 0 HA SER A 8 11.271 15.420 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.233 14.782 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.974 14.967 1.200 1.00 0.00 H new ATOM 0 HG SER A 8 10.793 13.001 0.200 1.00 0.00 H new ATOM 117 N GLN A 9 9.740 12.497 3.538 1.00 0.00 N ATOM 118 CA GLN A 9 8.688 11.700 4.107 1.00 0.00 C ATOM 119 C GLN A 9 9.262 10.364 4.589 1.00 0.00 C ATOM 120 O GLN A 9 9.633 10.261 5.763 1.00 0.00 O ATOM 121 CB GLN A 9 7.521 11.559 3.107 1.00 0.00 C ATOM 122 CG GLN A 9 6.813 12.881 2.759 1.00 0.00 C ATOM 123 CD GLN A 9 6.226 13.647 3.945 1.00 0.00 C ATOM 124 OE1 GLN A 9 6.092 14.867 3.898 1.00 0.00 O ATOM 125 NE2 GLN A 9 5.834 12.986 5.020 1.00 0.00 N ATOM 0 H GLN A 9 10.292 11.970 2.861 1.00 0.00 H new ATOM 0 HA GLN A 9 8.267 12.192 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.899 11.112 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.787 10.867 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.524 13.529 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.010 12.668 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.943 11.973 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.422 13.489 5.806 1.00 0.00 H new ATOM 134 N TYR A 10 9.383 9.362 3.712 1.00 0.00 N ATOM 135 CA TYR A 10 9.913 8.043 4.063 1.00 0.00 C ATOM 136 C TYR A 10 11.403 7.929 3.704 1.00 0.00 C ATOM 137 O TYR A 10 11.880 8.678 2.849 1.00 0.00 O ATOM 138 CB TYR A 10 9.099 6.953 3.353 1.00 0.00 C ATOM 139 CG TYR A 10 7.736 6.735 3.976 1.00 0.00 C ATOM 140 CD1 TYR A 10 6.634 7.504 3.557 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.583 5.790 5.009 1.00 0.00 C ATOM 142 CE1 TYR A 10 5.379 7.325 4.162 1.00 0.00 C ATOM 143 CE2 TYR A 10 6.333 5.612 5.625 1.00 0.00 C ATOM 144 CZ TYR A 10 5.226 6.382 5.203 1.00 0.00 C ATOM 145 OH TYR A 10 4.022 6.244 5.822 1.00 0.00 O ATOM 0 H TYR A 10 9.114 9.445 2.732 1.00 0.00 H new ATOM 0 HA TYR A 10 9.824 7.909 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.974 7.224 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.657 6.017 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.754 8.233 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.429 5.200 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.532 7.908 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.219 4.889 6.419 1.00 0.00 H new ATOM 0 HH TYR A 10 4.087 5.553 6.514 1.00 0.00 H new ATOM 155 N PRO A 11 12.132 6.985 4.328 1.00 0.00 N ATOM 156 CA PRO A 11 13.472 6.583 3.913 1.00 0.00 C ATOM 157 C PRO A 11 13.421 5.779 2.609 1.00 0.00 C ATOM 158 O PRO A 11 12.341 5.497 2.087 1.00 0.00 O ATOM 159 CB PRO A 11 14.009 5.735 5.069 1.00 0.00 C ATOM 160 CG PRO A 11 12.754 5.117 5.671 1.00 0.00 C ATOM 161 CD PRO A 11 11.689 6.181 5.457 1.00 0.00 C ATOM 0 HA PRO A 11 14.114 7.441 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.703 4.972 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.546 6.343 5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.491 4.182 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.887 4.891 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.720 5.725 5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.570 6.796 6.349 1.00 0.00 H new ATOM 169 N VAL A 12 14.584 5.377 2.103 1.00 0.00 N ATOM 170 CA VAL A 12 14.808 4.757 0.802 1.00 0.00 C ATOM 171 C VAL A 12 15.054 3.249 1.001 1.00 0.00 C ATOM 172 O VAL A 12 16.214 2.847 1.161 1.00 0.00 O ATOM 173 CB VAL A 12 15.968 5.480 0.080 1.00 0.00 C ATOM 174 CG1 VAL A 12 16.168 4.967 -1.354 1.00 0.00 C ATOM 175 CG2 VAL A 12 15.743 7.000 -0.004 1.00 0.00 C ATOM 0 H VAL A 12 15.453 5.483 2.627 1.00 0.00 H new ATOM 0 HA VAL A 12 13.932 4.856 0.161 1.00 0.00 H new ATOM 0 HB VAL A 12 16.852 5.265 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.993 5.504 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.396 3.901 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.257 5.131 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.584 7.464 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.824 7.202 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 12 15.662 7.412 1.002 1.00 0.00 H new ATOM 185 N PRO A 13 14.018 2.401 1.070 1.00 0.00 N ATOM 186 CA PRO A 13 14.176 0.960 1.254 1.00 0.00 C ATOM 187 C PRO A 13 14.770 0.307 0.001 1.00 0.00 C ATOM 188 O PRO A 13 14.865 0.938 -1.059 1.00 0.00 O ATOM 189 CB PRO A 13 12.761 0.459 1.550 1.00 0.00 C ATOM 190 CG PRO A 13 11.924 1.359 0.642 1.00 0.00 C ATOM 191 CD PRO A 13 12.612 2.704 0.835 1.00 0.00 C ATOM 0 HA PRO A 13 14.868 0.711 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.640 -0.596 1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.496 0.576 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.948 1.031 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.877 1.386 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.490 3.335 -0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.183 3.245 1.678 1.00 0.00 H new ATOM 199 N ASP A 14 15.126 -0.973 0.086 1.00 0.00 N ATOM 200 CA ASP A 14 15.674 -1.753 -1.018 1.00 0.00 C ATOM 201 C ASP A 14 15.146 -3.174 -0.878 1.00 0.00 C ATOM 202 O ASP A 14 15.082 -3.687 0.232 1.00 0.00 O ATOM 203 CB ASP A 14 17.204 -1.742 -0.942 1.00 0.00 C ATOM 204 CG ASP A 14 17.848 -2.174 -2.256 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.416 -3.187 -2.854 1.00 0.00 O ATOM 206 OD2 ASP A 14 18.787 -1.477 -2.698 1.00 0.00 O ATOM 0 H ASP A 14 15.038 -1.510 0.949 1.00 0.00 H new ATOM 0 HA ASP A 14 15.378 -1.334 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.546 -0.740 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.531 -2.407 -0.143 1.00 0.00 H new ATOM 211 N VAL A 15 14.775 -3.841 -1.968 1.00 0.00 N ATOM 212 CA VAL A 15 14.357 -5.241 -1.890 1.00 0.00 C ATOM 213 C VAL A 15 15.526 -6.149 -1.463 1.00 0.00 C ATOM 214 O VAL A 15 15.305 -7.236 -0.922 1.00 0.00 O ATOM 215 CB VAL A 15 13.653 -5.649 -3.200 1.00 0.00 C ATOM 216 CG1 VAL A 15 14.517 -5.398 -4.440 1.00 0.00 C ATOM 217 CG2 VAL A 15 13.191 -7.108 -3.198 1.00 0.00 C ATOM 0 H VAL A 15 14.755 -3.442 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 15 13.616 -5.371 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 15 12.774 -5.007 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 15 13.971 -5.704 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.757 -4.337 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.439 -5.974 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.703 -7.336 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.053 -7.762 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.488 -7.266 -2.380 1.00 0.00 H new ATOM 227 N SER A 16 16.770 -5.691 -1.616 1.00 0.00 N ATOM 228 CA SER A 16 17.952 -6.374 -1.127 1.00 0.00 C ATOM 229 C SER A 16 17.927 -6.552 0.404 1.00 0.00 C ATOM 230 O SER A 16 18.629 -7.444 0.881 1.00 0.00 O ATOM 231 CB SER A 16 19.179 -5.606 -1.642 1.00 0.00 C ATOM 232 OG SER A 16 20.414 -6.287 -1.477 1.00 0.00 O ATOM 0 H SER A 16 16.980 -4.815 -2.095 1.00 0.00 H new ATOM 0 HA SER A 16 17.991 -7.394 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.037 -5.389 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.235 -4.648 -1.125 1.00 0.00 H new ATOM 0 HG SER A 16 21.142 -5.734 -1.830 1.00 0.00 H new ATOM 238 N THR A 17 17.113 -5.823 1.183 1.00 0.00 N ATOM 239 CA THR A 17 17.008 -6.032 2.632 1.00 0.00 C ATOM 240 C THR A 17 15.770 -6.858 3.034 1.00 0.00 C ATOM 241 O THR A 17 15.652 -7.229 4.205 1.00 0.00 O ATOM 242 CB THR A 17 17.106 -4.678 3.371 1.00 0.00 C ATOM 243 OG1 THR A 17 16.209 -3.724 2.846 1.00 0.00 O ATOM 244 CG2 THR A 17 18.521 -4.100 3.228 1.00 0.00 C ATOM 0 H THR A 17 16.514 -5.078 0.828 1.00 0.00 H new ATOM 0 HA THR A 17 17.854 -6.643 2.946 1.00 0.00 H new ATOM 0 HB THR A 17 16.860 -4.873 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.958 -3.089 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 17 18.579 -3.146 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.243 -4.795 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.747 -3.948 2.173 1.00 0.00 H new ATOM 252 N TYR A 18 14.867 -7.192 2.101 1.00 0.00 N ATOM 253 CA TYR A 18 13.604 -7.868 2.403 1.00 0.00 C ATOM 254 C TYR A 18 13.807 -9.329 2.824 1.00 0.00 C ATOM 255 O TYR A 18 14.918 -9.867 2.778 1.00 0.00 O ATOM 256 CB TYR A 18 12.632 -7.741 1.212 1.00 0.00 C ATOM 257 CG TYR A 18 12.140 -6.336 0.892 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.493 -5.234 1.692 1.00 0.00 C ATOM 259 CD2 TYR A 18 11.339 -6.122 -0.246 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.148 -3.933 1.308 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.010 -4.814 -0.657 1.00 0.00 C ATOM 262 CZ TYR A 18 11.430 -3.704 0.118 1.00 0.00 C ATOM 263 OH TYR A 18 11.158 -2.419 -0.250 1.00 0.00 O ATOM 0 H TYR A 18 14.997 -6.997 1.108 1.00 0.00 H new ATOM 0 HA TYR A 18 13.158 -7.369 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 18 13.123 -8.142 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.765 -8.371 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.036 -5.393 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.973 -6.968 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.435 -3.098 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.439 -4.658 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 18 11.057 -1.864 0.551 1.00 0.00 H new ATOM 273 N GLN A 19 12.707 -9.960 3.239 1.00 0.00 N ATOM 274 CA GLN A 19 12.615 -11.362 3.628 1.00 0.00 C ATOM 275 C GLN A 19 11.712 -12.094 2.636 1.00 0.00 C ATOM 276 O GLN A 19 10.507 -11.860 2.637 1.00 0.00 O ATOM 277 CB GLN A 19 11.997 -11.491 5.031 1.00 0.00 C ATOM 278 CG GLN A 19 12.890 -11.061 6.201 1.00 0.00 C ATOM 279 CD GLN A 19 12.246 -11.371 7.558 1.00 0.00 C ATOM 280 OE1 GLN A 19 11.243 -12.072 7.670 1.00 0.00 O ATOM 281 NE2 GLN A 19 12.793 -10.852 8.642 1.00 0.00 N ATOM 0 H GLN A 19 11.811 -9.478 3.316 1.00 0.00 H new ATOM 0 HA GLN A 19 13.617 -11.792 3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.083 -10.897 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.707 -12.530 5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.851 -11.571 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 19 13.091 -9.992 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.626 -10.268 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.383 -11.035 9.558 1.00 0.00 H new ATOM 290 N TYR A 20 12.249 -12.962 1.784 1.00 0.00 N ATOM 291 CA TYR A 20 11.425 -13.850 0.969 1.00 0.00 C ATOM 292 C TYR A 20 10.730 -14.895 1.843 1.00 0.00 C ATOM 293 O TYR A 20 11.349 -15.461 2.754 1.00 0.00 O ATOM 294 CB TYR A 20 12.313 -14.540 -0.056 1.00 0.00 C ATOM 295 CG TYR A 20 11.579 -15.428 -1.039 1.00 0.00 C ATOM 296 CD1 TYR A 20 10.892 -14.836 -2.115 1.00 0.00 C ATOM 297 CD2 TYR A 20 11.604 -16.830 -0.902 1.00 0.00 C ATOM 298 CE1 TYR A 20 10.317 -15.649 -3.109 1.00 0.00 C ATOM 299 CE2 TYR A 20 11.006 -17.643 -1.878 1.00 0.00 C ATOM 300 CZ TYR A 20 10.381 -17.056 -3.001 1.00 0.00 C ATOM 301 OH TYR A 20 9.810 -17.837 -3.961 1.00 0.00 O ATOM 0 H TYR A 20 13.253 -13.070 1.640 1.00 0.00 H new ATOM 0 HA TYR A 20 10.657 -13.265 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 20 12.859 -13.779 -0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 20 13.053 -15.141 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.806 -13.761 -2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 20 12.084 -17.280 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.825 -15.196 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.024 -18.717 -1.770 1.00 0.00 H new ATOM 0 HH TYR A 20 9.944 -18.782 -3.737 1.00 0.00 H new ATOM 311 N ASP A 21 9.482 -15.223 1.509 1.00 0.00 N ATOM 312 CA ASP A 21 8.727 -16.327 2.096 1.00 0.00 C ATOM 313 C ASP A 21 8.385 -17.263 0.970 1.00 0.00 C ATOM 314 O ASP A 21 7.609 -16.895 0.087 1.00 0.00 O ATOM 315 CB ASP A 21 7.448 -15.862 2.800 1.00 0.00 C ATOM 316 CG ASP A 21 7.107 -16.774 3.981 1.00 0.00 C ATOM 317 OD1 ASP A 21 7.169 -18.016 3.815 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.739 -16.251 5.052 1.00 0.00 O ATOM 0 H ASP A 21 8.954 -14.712 0.802 1.00 0.00 H new ATOM 0 HA ASP A 21 9.332 -16.811 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.574 -14.838 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.620 -15.855 2.091 1.00 0.00 H new ATOM 323 N GLU A 22 8.982 -18.449 0.968 1.00 0.00 N ATOM 324 CA GLU A 22 8.686 -19.437 -0.054 1.00 0.00 C ATOM 325 C GLU A 22 7.240 -19.923 -0.010 1.00 0.00 C ATOM 326 O GLU A 22 6.762 -20.417 -1.031 1.00 0.00 O ATOM 327 CB GLU A 22 9.638 -20.637 0.009 1.00 0.00 C ATOM 328 CG GLU A 22 10.157 -21.090 1.372 1.00 0.00 C ATOM 329 CD GLU A 22 10.780 -22.498 1.331 1.00 0.00 C ATOM 330 OE1 GLU A 22 10.900 -23.125 0.249 1.00 0.00 O ATOM 331 OE2 GLU A 22 11.183 -22.988 2.412 1.00 0.00 O ATOM 0 H GLU A 22 9.670 -18.746 1.660 1.00 0.00 H new ATOM 0 HA GLU A 22 8.836 -18.921 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.131 -21.486 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.502 -20.406 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.901 -20.378 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.337 -21.080 2.090 1.00 0.00 H new ATOM 338 N THR A 23 6.561 -19.787 1.130 1.00 0.00 N ATOM 339 CA THR A 23 5.242 -20.368 1.339 1.00 0.00 C ATOM 340 C THR A 23 4.231 -19.790 0.332 1.00 0.00 C ATOM 341 O THR A 23 3.426 -20.533 -0.232 1.00 0.00 O ATOM 342 CB THR A 23 4.848 -20.182 2.820 1.00 0.00 C ATOM 343 OG1 THR A 23 3.938 -21.190 3.213 1.00 0.00 O ATOM 344 CG2 THR A 23 4.243 -18.809 3.130 1.00 0.00 C ATOM 0 H THR A 23 6.915 -19.269 1.934 1.00 0.00 H new ATOM 0 HA THR A 23 5.249 -21.441 1.145 1.00 0.00 H new ATOM 0 HB THR A 23 5.776 -20.256 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.696 -21.064 4.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.991 -18.753 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.965 -18.030 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.341 -18.666 2.535 1.00 0.00 H new ATOM 352 N SER A 24 4.337 -18.488 0.044 1.00 0.00 N ATOM 353 CA SER A 24 3.556 -17.797 -0.975 1.00 0.00 C ATOM 354 C SER A 24 4.448 -17.325 -2.123 1.00 0.00 C ATOM 355 O SER A 24 3.943 -17.024 -3.207 1.00 0.00 O ATOM 356 CB SER A 24 2.840 -16.590 -0.364 1.00 0.00 C ATOM 357 OG SER A 24 2.174 -16.902 0.844 1.00 0.00 O ATOM 0 H SER A 24 4.989 -17.873 0.530 1.00 0.00 H new ATOM 0 HA SER A 24 2.821 -18.500 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.566 -15.798 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.118 -16.200 -1.081 1.00 0.00 H new ATOM 0 HG SER A 24 1.735 -16.098 1.193 1.00 0.00 H new ATOM 363 N GLY A 25 5.764 -17.220 -1.913 1.00 0.00 N ATOM 364 CA GLY A 25 6.700 -16.890 -2.969 1.00 0.00 C ATOM 365 C GLY A 25 6.733 -15.387 -3.210 1.00 0.00 C ATOM 366 O GLY A 25 6.893 -14.957 -4.353 1.00 0.00 O ATOM 0 H GLY A 25 6.201 -17.363 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.696 -17.242 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.416 -17.404 -3.887 1.00 0.00 H new ATOM 370 N TYR A 26 6.570 -14.590 -2.150 1.00 0.00 N ATOM 371 CA TYR A 26 6.598 -13.127 -2.149 1.00 0.00 C ATOM 372 C TYR A 26 7.728 -12.669 -1.233 1.00 0.00 C ATOM 373 O TYR A 26 8.322 -13.479 -0.521 1.00 0.00 O ATOM 374 CB TYR A 26 5.239 -12.559 -1.694 1.00 0.00 C ATOM 375 CG TYR A 26 4.308 -12.250 -2.851 1.00 0.00 C ATOM 376 CD1 TYR A 26 3.905 -13.280 -3.720 1.00 0.00 C ATOM 377 CD2 TYR A 26 3.901 -10.925 -3.108 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.182 -12.982 -4.883 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.131 -10.629 -4.248 1.00 0.00 C ATOM 380 CZ TYR A 26 2.822 -11.650 -5.174 1.00 0.00 C ATOM 381 OH TYR A 26 2.200 -11.354 -6.348 1.00 0.00 O ATOM 0 H TYR A 26 6.406 -14.971 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 26 6.778 -12.754 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.757 -13.275 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.406 -11.650 -1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.154 -14.305 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.181 -10.134 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.899 -13.776 -5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.777 -9.622 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 26 2.021 -10.391 -6.390 1.00 0.00 H new ATOM 391 N TYR A 27 8.021 -11.372 -1.252 1.00 0.00 N ATOM 392 CA TYR A 27 8.949 -10.749 -0.321 1.00 0.00 C ATOM 393 C TYR A 27 8.129 -9.993 0.713 1.00 0.00 C ATOM 394 O TYR A 27 7.143 -9.355 0.354 1.00 0.00 O ATOM 395 CB TYR A 27 9.887 -9.792 -1.057 1.00 0.00 C ATOM 396 CG TYR A 27 10.926 -10.519 -1.875 1.00 0.00 C ATOM 397 CD1 TYR A 27 10.589 -10.992 -3.153 1.00 0.00 C ATOM 398 CD2 TYR A 27 12.199 -10.783 -1.337 1.00 0.00 C ATOM 399 CE1 TYR A 27 11.517 -11.740 -3.894 1.00 0.00 C ATOM 400 CE2 TYR A 27 13.138 -11.514 -2.081 1.00 0.00 C ATOM 401 CZ TYR A 27 12.792 -12.002 -3.357 1.00 0.00 C ATOM 402 OH TYR A 27 13.674 -12.718 -4.093 1.00 0.00 O ATOM 0 H TYR A 27 7.615 -10.719 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 27 9.565 -11.508 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.302 -9.145 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.385 -9.147 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.614 -10.780 -3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.454 -10.423 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.254 -12.113 -4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.122 -11.702 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 27 14.511 -12.818 -3.594 1.00 0.00 H new ATOM 412 N TYR A 28 8.552 -10.031 1.969 1.00 0.00 N ATOM 413 CA TYR A 28 8.045 -9.223 3.061 1.00 0.00 C ATOM 414 C TYR A 28 9.058 -8.112 3.285 1.00 0.00 C ATOM 415 O TYR A 28 10.262 -8.363 3.275 1.00 0.00 O ATOM 416 CB TYR A 28 7.891 -10.077 4.326 1.00 0.00 C ATOM 417 CG TYR A 28 7.507 -9.277 5.560 1.00 0.00 C ATOM 418 CD1 TYR A 28 6.267 -8.612 5.604 1.00 0.00 C ATOM 419 CD2 TYR A 28 8.399 -9.166 6.646 1.00 0.00 C ATOM 420 CE1 TYR A 28 5.893 -7.888 6.754 1.00 0.00 C ATOM 421 CE2 TYR A 28 8.047 -8.400 7.773 1.00 0.00 C ATOM 422 CZ TYR A 28 6.786 -7.767 7.846 1.00 0.00 C ATOM 423 OH TYR A 28 6.463 -7.039 8.958 1.00 0.00 O ATOM 0 H TYR A 28 9.298 -10.661 2.265 1.00 0.00 H new ATOM 0 HA TYR A 28 7.063 -8.812 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.133 -10.840 4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.829 -10.598 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.601 -8.657 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.354 -9.670 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.920 -7.423 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.747 -8.295 8.589 1.00 0.00 H new ATOM 0 HH TYR A 28 7.203 -7.075 9.599 1.00 0.00 H new ATOM 433 N ASP A 29 8.568 -6.895 3.485 1.00 0.00 N ATOM 434 CA ASP A 29 9.334 -5.685 3.723 1.00 0.00 C ATOM 435 C ASP A 29 9.405 -5.387 5.222 1.00 0.00 C ATOM 436 O ASP A 29 8.536 -4.680 5.731 1.00 0.00 O ATOM 437 CB ASP A 29 8.766 -4.486 2.962 1.00 0.00 C ATOM 438 CG ASP A 29 9.477 -3.197 3.382 1.00 0.00 C ATOM 439 OD1 ASP A 29 10.644 -3.276 3.816 1.00 0.00 O ATOM 440 OD2 ASP A 29 8.859 -2.113 3.323 1.00 0.00 O ATOM 0 H ASP A 29 7.563 -6.719 3.485 1.00 0.00 H new ATOM 0 HA ASP A 29 10.342 -5.857 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.884 -4.640 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.697 -4.398 3.156 1.00 0.00 H new ATOM 445 N PRO A 30 10.373 -5.921 5.983 1.00 0.00 N ATOM 446 CA PRO A 30 10.507 -5.586 7.396 1.00 0.00 C ATOM 447 C PRO A 30 10.782 -4.094 7.642 1.00 0.00 C ATOM 448 O PRO A 30 10.738 -3.652 8.796 1.00 0.00 O ATOM 449 CB PRO A 30 11.676 -6.434 7.890 1.00 0.00 C ATOM 450 CG PRO A 30 12.554 -6.605 6.652 1.00 0.00 C ATOM 451 CD PRO A 30 11.538 -6.651 5.515 1.00 0.00 C ATOM 0 HA PRO A 30 9.576 -5.788 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.216 -5.939 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.337 -7.396 8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.253 -5.777 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.147 -7.518 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.944 -6.197 4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.279 -7.680 5.266 1.00 0.00 H new ATOM 459 N GLN A 31 11.081 -3.312 6.603 1.00 0.00 N ATOM 460 CA GLN A 31 11.406 -1.904 6.699 1.00 0.00 C ATOM 461 C GLN A 31 10.149 -1.023 6.814 1.00 0.00 C ATOM 462 O GLN A 31 10.283 0.142 7.194 1.00 0.00 O ATOM 463 CB GLN A 31 12.287 -1.515 5.493 1.00 0.00 C ATOM 464 CG GLN A 31 13.489 -0.645 5.911 1.00 0.00 C ATOM 465 CD GLN A 31 14.691 -0.690 4.956 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.227 -1.740 4.597 1.00 0.00 O ATOM 467 NE2 GLN A 31 15.236 0.460 4.597 1.00 0.00 N ATOM 0 H GLN A 31 11.102 -3.661 5.645 1.00 0.00 H new ATOM 0 HA GLN A 31 11.965 -1.728 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.647 -2.419 5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.684 -0.974 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.155 0.389 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.819 -0.961 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.807 1.340 4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.086 0.468 4.033 1.00 0.00 H new ATOM 476 N THR A 32 8.945 -1.550 6.545 1.00 0.00 N ATOM 477 CA THR A 32 7.669 -0.885 6.859 1.00 0.00 C ATOM 478 C THR A 32 6.538 -1.852 7.238 1.00 0.00 C ATOM 479 O THR A 32 5.582 -1.449 7.904 1.00 0.00 O ATOM 480 CB THR A 32 7.165 -0.044 5.679 1.00 0.00 C ATOM 481 OG1 THR A 32 6.967 -0.852 4.543 1.00 0.00 O ATOM 482 CG2 THR A 32 8.026 1.163 5.320 1.00 0.00 C ATOM 0 H THR A 32 8.827 -2.460 6.099 1.00 0.00 H new ATOM 0 HA THR A 32 7.902 -0.260 7.721 1.00 0.00 H new ATOM 0 HB THR A 32 6.218 0.372 6.023 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.834 -1.161 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.582 1.688 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.084 1.836 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.029 0.828 5.053 1.00 0.00 H new ATOM 490 N GLY A 33 6.608 -3.111 6.808 1.00 0.00 N ATOM 491 CA GLY A 33 5.606 -4.141 7.072 1.00 0.00 C ATOM 492 C GLY A 33 4.771 -4.523 5.848 1.00 0.00 C ATOM 493 O GLY A 33 3.835 -5.327 5.970 1.00 0.00 O ATOM 0 H GLY A 33 7.389 -3.453 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.107 -5.032 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.939 -3.791 7.860 1.00 0.00 H new ATOM 497 N LEU A 34 5.076 -3.947 4.684 1.00 0.00 N ATOM 498 CA LEU A 34 4.478 -4.275 3.390 1.00 0.00 C ATOM 499 C LEU A 34 4.961 -5.648 2.905 1.00 0.00 C ATOM 500 O LEU A 34 5.813 -6.272 3.534 1.00 0.00 O ATOM 501 CB LEU A 34 4.863 -3.189 2.367 1.00 0.00 C ATOM 502 CG LEU A 34 4.427 -1.762 2.760 1.00 0.00 C ATOM 503 CD1 LEU A 34 5.164 -0.761 1.863 1.00 0.00 C ATOM 504 CD2 LEU A 34 2.909 -1.596 2.657 1.00 0.00 C ATOM 0 H LEU A 34 5.776 -3.208 4.615 1.00 0.00 H new ATOM 0 HA LEU A 34 3.394 -4.313 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.944 -3.201 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.418 -3.440 1.404 1.00 0.00 H new ATOM 0 HG LEU A 34 4.689 -1.575 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.866 0.253 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.239 -0.872 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.911 -0.952 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.634 -0.580 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.591 -1.785 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.419 -2.304 3.325 1.00 0.00 H new ATOM 516 N TYR A 35 4.466 -6.093 1.752 1.00 0.00 N ATOM 517 CA TYR A 35 5.097 -7.105 0.914 1.00 0.00 C ATOM 518 C TYR A 35 5.461 -6.461 -0.428 1.00 0.00 C ATOM 519 O TYR A 35 4.961 -5.379 -0.759 1.00 0.00 O ATOM 520 CB TYR A 35 4.147 -8.288 0.683 1.00 0.00 C ATOM 521 CG TYR A 35 3.916 -9.140 1.906 1.00 0.00 C ATOM 522 CD1 TYR A 35 3.053 -8.675 2.911 1.00 0.00 C ATOM 523 CD2 TYR A 35 4.578 -10.374 2.051 1.00 0.00 C ATOM 524 CE1 TYR A 35 2.885 -9.421 4.083 1.00 0.00 C ATOM 525 CE2 TYR A 35 4.412 -11.127 3.223 1.00 0.00 C ATOM 526 CZ TYR A 35 3.570 -10.644 4.249 1.00 0.00 C ATOM 527 OH TYR A 35 3.422 -11.310 5.420 1.00 0.00 O ATOM 0 H TYR A 35 3.588 -5.747 1.365 1.00 0.00 H new ATOM 0 HA TYR A 35 5.991 -7.482 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.188 -7.907 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.551 -8.915 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.521 -7.745 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.214 -10.741 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.230 -9.060 4.862 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.925 -12.070 3.340 1.00 0.00 H new ATOM 0 HH TYR A 35 3.949 -12.136 5.396 1.00 0.00 H new ATOM 537 N TYR A 36 6.276 -7.149 -1.223 1.00 0.00 N ATOM 538 CA TYR A 36 6.702 -6.767 -2.561 1.00 0.00 C ATOM 539 C TYR A 36 6.755 -8.021 -3.443 1.00 0.00 C ATOM 540 O TYR A 36 6.800 -9.145 -2.928 1.00 0.00 O ATOM 541 CB TYR A 36 8.071 -6.085 -2.446 1.00 0.00 C ATOM 542 CG TYR A 36 8.735 -5.754 -3.766 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.268 -4.680 -4.547 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.791 -6.556 -4.238 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.888 -4.371 -5.771 1.00 0.00 C ATOM 546 CE2 TYR A 36 10.416 -6.248 -5.456 1.00 0.00 C ATOM 547 CZ TYR A 36 9.988 -5.142 -6.209 1.00 0.00 C ATOM 548 OH TYR A 36 10.654 -4.808 -7.342 1.00 0.00 O ATOM 0 H TYR A 36 6.679 -8.039 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 36 6.004 -6.068 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.954 -5.164 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.736 -6.733 -1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.430 -4.091 -4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.120 -7.409 -3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.526 -3.550 -6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.228 -6.863 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 36 11.383 -5.446 -7.493 1.00 0.00 H new ATOM 558 N ASP A 37 6.784 -7.836 -4.767 1.00 0.00 N ATOM 559 CA ASP A 37 6.878 -8.917 -5.745 1.00 0.00 C ATOM 560 C ASP A 37 7.943 -8.594 -6.803 1.00 0.00 C ATOM 561 O ASP A 37 8.038 -7.444 -7.245 1.00 0.00 O ATOM 562 CB ASP A 37 5.529 -9.061 -6.448 1.00 0.00 C ATOM 563 CG ASP A 37 5.519 -10.217 -7.439 1.00 0.00 C ATOM 564 OD1 ASP A 37 5.323 -11.377 -7.031 1.00 0.00 O ATOM 565 OD2 ASP A 37 5.726 -9.994 -8.656 1.00 0.00 O ATOM 0 H ASP A 37 6.742 -6.911 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 37 7.151 -9.838 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.748 -9.216 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.292 -8.134 -6.971 1.00 0.00 H new ATOM 570 N PRO A 38 8.691 -9.597 -7.292 1.00 0.00 N ATOM 571 CA PRO A 38 9.781 -9.393 -8.232 1.00 0.00 C ATOM 572 C PRO A 38 9.291 -9.063 -9.636 1.00 0.00 C ATOM 573 O PRO A 38 9.908 -8.237 -10.314 1.00 0.00 O ATOM 574 CB PRO A 38 10.582 -10.705 -8.236 1.00 0.00 C ATOM 575 CG PRO A 38 9.558 -11.741 -7.779 1.00 0.00 C ATOM 576 CD PRO A 38 8.749 -10.947 -6.770 1.00 0.00 C ATOM 0 HA PRO A 38 10.386 -8.539 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.973 -10.935 -9.227 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.436 -10.657 -7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.944 -12.101 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.031 -12.614 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.749 -11.365 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.220 -10.967 -5.787 1.00 0.00 H new ATOM 584 N ASN A 39 8.212 -9.688 -10.110 1.00 0.00 N ATOM 585 CA ASN A 39 7.706 -9.457 -11.446 1.00 0.00 C ATOM 586 C ASN A 39 6.930 -8.155 -11.500 1.00 0.00 C ATOM 587 O ASN A 39 6.967 -7.480 -12.529 1.00 0.00 O ATOM 588 CB ASN A 39 6.768 -10.589 -11.865 1.00 0.00 C ATOM 589 CG ASN A 39 7.526 -11.761 -12.457 1.00 0.00 C ATOM 590 OD1 ASN A 39 8.108 -11.629 -13.529 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.535 -12.895 -11.784 1.00 0.00 N ATOM 0 H ASN A 39 7.672 -10.366 -9.572 1.00 0.00 H new ATOM 0 HA ASN A 39 8.560 -9.411 -12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.196 -10.926 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.050 -10.215 -12.595 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.038 -13.702 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.039 -12.965 -10.896 1.00 0.00 H new ATOM 598 N SER A 40 6.209 -7.829 -10.429 1.00 0.00 N ATOM 599 CA SER A 40 5.109 -6.880 -10.456 1.00 0.00 C ATOM 600 C SER A 40 5.304 -5.885 -9.316 1.00 0.00 C ATOM 601 O SER A 40 4.909 -6.137 -8.186 1.00 0.00 O ATOM 602 CB SER A 40 3.766 -7.635 -10.491 1.00 0.00 C ATOM 603 OG SER A 40 3.567 -8.591 -9.453 1.00 0.00 O ATOM 0 H SER A 40 6.379 -8.226 -9.505 1.00 0.00 H new ATOM 0 HA SER A 40 5.093 -6.279 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.958 -6.904 -10.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.682 -8.145 -11.451 1.00 0.00 H new ATOM 0 HG SER A 40 4.314 -9.225 -9.444 1.00 0.00 H new ATOM 609 N GLN A 41 5.975 -4.768 -9.606 1.00 0.00 N ATOM 610 CA GLN A 41 6.572 -3.835 -8.639 1.00 0.00 C ATOM 611 C GLN A 41 5.582 -3.169 -7.657 1.00 0.00 C ATOM 612 O GLN A 41 5.991 -2.362 -6.821 1.00 0.00 O ATOM 613 CB GLN A 41 7.395 -2.789 -9.419 1.00 0.00 C ATOM 614 CG GLN A 41 8.848 -3.218 -9.686 1.00 0.00 C ATOM 615 CD GLN A 41 9.023 -4.568 -10.383 1.00 0.00 C ATOM 616 OE1 GLN A 41 9.107 -4.661 -11.609 1.00 0.00 O ATOM 617 NE2 GLN A 41 9.043 -5.659 -9.641 1.00 0.00 N ATOM 0 H GLN A 41 6.126 -4.472 -10.570 1.00 0.00 H new ATOM 0 HA GLN A 41 7.211 -4.426 -7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.904 -2.590 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.399 -1.853 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.328 -2.451 -10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.379 -3.249 -8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.974 -5.587 -8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.128 -6.575 -10.083 1.00 0.00 H new ATOM 626 N TYR A 42 4.292 -3.479 -7.748 1.00 0.00 N ATOM 627 CA TYR A 42 3.262 -3.035 -6.833 1.00 0.00 C ATOM 628 C TYR A 42 3.479 -3.704 -5.483 1.00 0.00 C ATOM 629 O TYR A 42 3.551 -4.929 -5.376 1.00 0.00 O ATOM 630 CB TYR A 42 1.885 -3.360 -7.417 1.00 0.00 C ATOM 631 CG TYR A 42 1.753 -2.865 -8.841 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.816 -1.485 -9.101 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.738 -3.780 -9.908 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.852 -1.008 -10.421 1.00 0.00 C ATOM 635 CE2 TYR A 42 1.794 -3.313 -11.230 1.00 0.00 C ATOM 636 CZ TYR A 42 1.855 -1.925 -11.496 1.00 0.00 C ATOM 637 OH TYR A 42 1.943 -1.492 -12.784 1.00 0.00 O ATOM 0 H TYR A 42 3.928 -4.071 -8.494 1.00 0.00 H new ATOM 0 HA TYR A 42 3.313 -1.956 -6.690 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.722 -4.437 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.111 -2.905 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.837 -0.786 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.683 -4.840 -9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.877 0.054 -10.614 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.791 -4.017 -12.049 1.00 0.00 H new ATOM 0 HH TYR A 42 1.932 -2.262 -13.390 1.00 0.00 H new ATOM 647 N TYR A 43 3.603 -2.892 -4.442 1.00 0.00 N ATOM 648 CA TYR A 43 3.726 -3.357 -3.076 1.00 0.00 C ATOM 649 C TYR A 43 2.348 -3.808 -2.599 1.00 0.00 C ATOM 650 O TYR A 43 1.347 -3.124 -2.848 1.00 0.00 O ATOM 651 CB TYR A 43 4.261 -2.212 -2.207 1.00 0.00 C ATOM 652 CG TYR A 43 5.764 -2.031 -2.318 1.00 0.00 C ATOM 653 CD1 TYR A 43 6.351 -1.507 -3.489 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.584 -2.457 -1.257 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.750 -1.408 -3.595 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.980 -2.354 -1.354 1.00 0.00 C ATOM 657 CZ TYR A 43 8.573 -1.835 -2.526 1.00 0.00 C ATOM 658 OH TYR A 43 9.929 -1.793 -2.644 1.00 0.00 O ATOM 0 H TYR A 43 3.621 -1.876 -4.529 1.00 0.00 H new ATOM 0 HA TYR A 43 4.419 -4.195 -3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.767 -1.284 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.000 -2.402 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.725 -1.181 -4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.136 -2.866 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.196 -1.006 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.602 -2.672 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 43 10.340 -2.106 -1.811 1.00 0.00 H new ATOM 668 N TYR A 44 2.285 -4.889 -1.826 1.00 0.00 N ATOM 669 CA TYR A 44 1.054 -5.394 -1.232 1.00 0.00 C ATOM 670 C TYR A 44 1.008 -5.003 0.239 1.00 0.00 C ATOM 671 O TYR A 44 1.854 -5.396 1.038 1.00 0.00 O ATOM 672 CB TYR A 44 0.942 -6.904 -1.426 1.00 0.00 C ATOM 673 CG TYR A 44 -0.203 -7.527 -0.651 1.00 0.00 C ATOM 674 CD1 TYR A 44 -1.525 -7.236 -1.026 1.00 0.00 C ATOM 675 CD2 TYR A 44 0.040 -8.393 0.432 1.00 0.00 C ATOM 676 CE1 TYR A 44 -2.602 -7.911 -0.432 1.00 0.00 C ATOM 677 CE2 TYR A 44 -1.035 -9.046 1.062 1.00 0.00 C ATOM 678 CZ TYR A 44 -2.354 -8.844 0.596 1.00 0.00 C ATOM 679 OH TYR A 44 -3.391 -9.520 1.163 1.00 0.00 O ATOM 0 H TYR A 44 3.105 -5.448 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 44 0.195 -4.947 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.812 -7.118 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.877 -7.373 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.714 -6.485 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.050 -8.556 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.613 -7.718 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.853 -9.701 1.901 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.049 -10.125 1.854 1.00 0.00 H new ATOM 689 N ASN A 45 0.036 -4.167 0.592 1.00 0.00 N ATOM 690 CA ASN A 45 -0.272 -3.801 1.963 1.00 0.00 C ATOM 691 C ASN A 45 -1.263 -4.832 2.487 1.00 0.00 C ATOM 692 O ASN A 45 -2.475 -4.617 2.401 1.00 0.00 O ATOM 693 CB ASN A 45 -0.866 -2.384 2.019 1.00 0.00 C ATOM 694 CG ASN A 45 -1.312 -2.049 3.436 1.00 0.00 C ATOM 695 OD1 ASN A 45 -0.580 -2.279 4.390 1.00 0.00 O ATOM 696 ND2 ASN A 45 -2.517 -1.532 3.607 1.00 0.00 N ATOM 0 H ASN A 45 -0.574 -3.715 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 45 0.628 -3.793 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.125 -1.659 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.714 -2.311 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.851 -1.318 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.112 -1.348 2.799 1.00 0.00 H new ATOM 703 N ALA A 46 -0.757 -5.943 3.026 1.00 0.00 N ATOM 704 CA ALA A 46 -1.551 -6.997 3.655 1.00 0.00 C ATOM 705 C ALA A 46 -2.543 -6.387 4.648 1.00 0.00 C ATOM 706 O ALA A 46 -3.712 -6.766 4.670 1.00 0.00 O ATOM 707 CB ALA A 46 -0.624 -7.998 4.357 1.00 0.00 C ATOM 0 H ALA A 46 0.244 -6.138 3.037 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.117 -7.527 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.221 -8.781 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.051 -8.443 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.042 -7.482 5.120 1.00 0.00 H new ATOM 713 N GLN A 47 -2.092 -5.368 5.384 1.00 0.00 N ATOM 714 CA GLN A 47 -2.801 -4.641 6.423 1.00 0.00 C ATOM 715 C GLN A 47 -4.142 -4.009 6.021 1.00 0.00 C ATOM 716 O GLN A 47 -4.859 -3.534 6.901 1.00 0.00 O ATOM 717 CB GLN A 47 -1.859 -3.547 6.934 1.00 0.00 C ATOM 718 CG GLN A 47 -1.882 -3.480 8.451 1.00 0.00 C ATOM 719 CD GLN A 47 -1.204 -2.205 8.925 1.00 0.00 C ATOM 720 OE1 GLN A 47 -1.856 -1.170 9.016 1.00 0.00 O ATOM 721 NE2 GLN A 47 0.077 -2.243 9.237 1.00 0.00 N ATOM 0 H GLN A 47 -1.147 -5.007 5.253 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.072 -5.377 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.844 -3.745 6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.154 -2.584 6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.911 -3.509 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.374 -4.349 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.597 -3.117 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.548 -1.399 9.563 1.00 0.00 H new ATOM 730 N SER A 48 -4.485 -3.948 4.733 1.00 0.00 N ATOM 731 CA SER A 48 -5.865 -3.752 4.289 1.00 0.00 C ATOM 732 C SER A 48 -6.150 -4.530 2.990 1.00 0.00 C ATOM 733 O SER A 48 -7.213 -4.366 2.401 1.00 0.00 O ATOM 734 CB SER A 48 -6.170 -2.247 4.143 1.00 0.00 C ATOM 735 OG SER A 48 -7.409 -1.890 4.743 1.00 0.00 O ATOM 0 H SER A 48 -3.814 -4.033 3.969 1.00 0.00 H new ATOM 0 HA SER A 48 -6.536 -4.155 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.367 -1.669 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.191 -1.983 3.086 1.00 0.00 H new ATOM 0 HG SER A 48 -7.563 -0.929 4.629 1.00 0.00 H new ATOM 741 N GLN A 49 -5.198 -5.351 2.536 1.00 0.00 N ATOM 742 CA GLN A 49 -5.091 -6.018 1.242 1.00 0.00 C ATOM 743 C GLN A 49 -4.917 -5.039 0.065 1.00 0.00 C ATOM 744 O GLN A 49 -5.075 -5.425 -1.090 1.00 0.00 O ATOM 745 CB GLN A 49 -6.200 -7.076 1.054 1.00 0.00 C ATOM 746 CG GLN A 49 -6.310 -8.026 2.266 1.00 0.00 C ATOM 747 CD GLN A 49 -7.232 -9.224 2.041 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.624 -9.560 0.927 1.00 0.00 O ATOM 749 NE2 GLN A 49 -7.623 -9.907 3.108 1.00 0.00 N ATOM 0 H GLN A 49 -4.403 -5.587 3.130 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.156 -6.579 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.156 -6.575 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.996 -7.658 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.314 -8.390 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.671 -7.460 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.300 -9.632 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.246 -10.707 3.001 1.00 0.00 H new ATOM 758 N GLN A 50 -4.563 -3.777 0.329 1.00 0.00 N ATOM 759 CA GLN A 50 -4.377 -2.745 -0.695 1.00 0.00 C ATOM 760 C GLN A 50 -3.141 -3.034 -1.555 1.00 0.00 C ATOM 761 O GLN A 50 -2.139 -3.528 -1.038 1.00 0.00 O ATOM 762 CB GLN A 50 -4.268 -1.360 -0.022 1.00 0.00 C ATOM 763 CG GLN A 50 -5.543 -0.500 -0.100 1.00 0.00 C ATOM 764 CD GLN A 50 -6.730 -0.972 0.735 1.00 0.00 C ATOM 765 OE1 GLN A 50 -7.252 -0.222 1.556 1.00 0.00 O ATOM 766 NE2 GLN A 50 -7.191 -2.189 0.542 1.00 0.00 N ATOM 0 H GLN A 50 -4.395 -3.439 1.277 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.243 -2.750 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.006 -1.501 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.448 -0.811 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.290 0.515 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.857 -0.448 -1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.747 -2.800 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.993 -2.522 1.078 1.00 0.00 H new ATOM 775 N TYR A 51 -3.171 -2.637 -2.832 1.00 0.00 N ATOM 776 CA TYR A 51 -1.998 -2.610 -3.701 1.00 0.00 C ATOM 777 C TYR A 51 -1.581 -1.159 -3.890 1.00 0.00 C ATOM 778 O TYR A 51 -2.413 -0.288 -4.158 1.00 0.00 O ATOM 779 CB TYR A 51 -2.240 -3.290 -5.049 1.00 0.00 C ATOM 780 CG TYR A 51 -2.044 -4.794 -5.007 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.839 -5.578 -4.158 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.048 -5.413 -5.787 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.656 -6.969 -4.097 1.00 0.00 C ATOM 784 CE2 TYR A 51 -0.850 -6.806 -5.727 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.659 -7.591 -4.874 1.00 0.00 C ATOM 786 OH TYR A 51 -1.460 -8.929 -4.725 1.00 0.00 O ATOM 0 H TYR A 51 -4.024 -2.322 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.200 -3.179 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.255 -3.072 -5.381 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.564 -2.863 -5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.596 -5.109 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.430 -4.813 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.283 -7.565 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.084 -7.272 -6.329 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.742 -9.222 -5.325 1.00 0.00 H new ATOM 796 N LEU A 52 -0.290 -0.904 -3.725 1.00 0.00 N ATOM 797 CA LEU A 52 0.352 0.403 -3.701 1.00 0.00 C ATOM 798 C LEU A 52 1.618 0.312 -4.566 1.00 0.00 C ATOM 799 O LEU A 52 1.882 -0.734 -5.159 1.00 0.00 O ATOM 800 CB LEU A 52 0.725 0.760 -2.250 1.00 0.00 C ATOM 801 CG LEU A 52 -0.402 0.781 -1.189 1.00 0.00 C ATOM 802 CD1 LEU A 52 0.138 1.152 0.192 1.00 0.00 C ATOM 803 CD2 LEU A 52 -1.501 1.794 -1.494 1.00 0.00 C ATOM 0 H LEU A 52 0.384 -1.659 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.314 1.175 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.483 0.051 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.192 1.745 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.810 -0.229 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.680 1.157 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.887 0.422 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.592 2.142 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.258 1.756 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.072 2.795 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.959 1.556 -2.454 1.00 0.00 H new ATOM 815 N TYR A 53 2.431 1.361 -4.643 1.00 0.00 N ATOM 816 CA TYR A 53 3.800 1.285 -5.140 1.00 0.00 C ATOM 817 C TYR A 53 4.671 2.293 -4.393 1.00 0.00 C ATOM 818 O TYR A 53 4.153 3.250 -3.809 1.00 0.00 O ATOM 819 CB TYR A 53 3.846 1.510 -6.660 1.00 0.00 C ATOM 820 CG TYR A 53 3.606 2.938 -7.125 1.00 0.00 C ATOM 821 CD1 TYR A 53 2.302 3.474 -7.111 1.00 0.00 C ATOM 822 CD2 TYR A 53 4.681 3.722 -7.590 1.00 0.00 C ATOM 823 CE1 TYR A 53 2.060 4.773 -7.590 1.00 0.00 C ATOM 824 CE2 TYR A 53 4.445 5.017 -8.083 1.00 0.00 C ATOM 825 CZ TYR A 53 3.133 5.542 -8.100 1.00 0.00 C ATOM 826 OH TYR A 53 2.905 6.791 -8.587 1.00 0.00 O ATOM 0 H TYR A 53 2.153 2.300 -4.358 1.00 0.00 H new ATOM 0 HA TYR A 53 4.194 0.286 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.820 1.187 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.101 0.866 -7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.483 2.882 -6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.686 3.328 -7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.061 5.182 -7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.268 5.612 -8.450 1.00 0.00 H new ATOM 0 HH TYR A 53 3.749 7.181 -8.896 1.00 0.00 H new ATOM 836 N TRP A 54 5.986 2.069 -4.433 1.00 0.00 N ATOM 837 CA TRP A 54 7.004 2.969 -3.918 1.00 0.00 C ATOM 838 C TRP A 54 7.271 4.037 -4.976 1.00 0.00 C ATOM 839 O TRP A 54 7.882 3.751 -6.008 1.00 0.00 O ATOM 840 CB TRP A 54 8.266 2.170 -3.554 1.00 0.00 C ATOM 841 CG TRP A 54 9.458 2.985 -3.159 1.00 0.00 C ATOM 842 CD1 TRP A 54 10.674 2.945 -3.751 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.570 3.965 -2.085 1.00 0.00 C ATOM 844 NE1 TRP A 54 11.531 3.817 -3.112 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.891 4.503 -2.100 1.00 0.00 C ATOM 846 CE3 TRP A 54 8.696 4.443 -1.087 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.312 5.485 -1.191 1.00 0.00 C ATOM 848 CZ3 TRP A 54 9.115 5.396 -0.144 1.00 0.00 C ATOM 849 CH2 TRP A 54 10.417 5.920 -0.200 1.00 0.00 C ATOM 0 H TRP A 54 6.380 1.222 -4.842 1.00 0.00 H new ATOM 0 HA TRP A 54 6.672 3.464 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.022 1.495 -2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.540 1.549 -4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.934 2.324 -4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.514 3.939 -3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.684 4.069 -1.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.307 5.899 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.434 5.727 0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.731 6.660 0.521 1.00 0.00 H new ATOM 860 N ASP A 55 6.772 5.252 -4.754 1.00 0.00 N ATOM 861 CA ASP A 55 7.069 6.445 -5.536 1.00 0.00 C ATOM 862 C ASP A 55 8.281 7.088 -4.876 1.00 0.00 C ATOM 863 O ASP A 55 8.175 7.774 -3.854 1.00 0.00 O ATOM 864 CB ASP A 55 5.844 7.368 -5.570 1.00 0.00 C ATOM 865 CG ASP A 55 6.053 8.714 -6.270 1.00 0.00 C ATOM 866 OD1 ASP A 55 7.192 9.223 -6.334 1.00 0.00 O ATOM 867 OD2 ASP A 55 5.027 9.278 -6.734 1.00 0.00 O ATOM 0 H ASP A 55 6.122 5.437 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 55 7.296 6.219 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.028 6.843 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.524 7.557 -4.545 1.00 0.00 H new ATOM 872 N GLY A 56 9.460 6.799 -5.423 1.00 0.00 N ATOM 873 CA GLY A 56 10.726 7.317 -4.933 1.00 0.00 C ATOM 874 C GLY A 56 10.963 8.777 -5.329 1.00 0.00 C ATOM 875 O GLY A 56 11.931 9.362 -4.844 1.00 0.00 O ATOM 0 H GLY A 56 9.559 6.187 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.752 7.231 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.539 6.703 -5.321 1.00 0.00 H new ATOM 879 N GLU A 57 10.118 9.385 -6.175 1.00 0.00 N ATOM 880 CA GLU A 57 10.197 10.814 -6.455 1.00 0.00 C ATOM 881 C GLU A 57 9.675 11.579 -5.250 1.00 0.00 C ATOM 882 O GLU A 57 10.334 12.518 -4.797 1.00 0.00 O ATOM 883 CB GLU A 57 9.464 11.194 -7.743 1.00 0.00 C ATOM 884 CG GLU A 57 10.370 11.027 -8.964 1.00 0.00 C ATOM 885 CD GLU A 57 9.691 11.495 -10.248 1.00 0.00 C ATOM 886 OE1 GLU A 57 9.246 12.669 -10.307 1.00 0.00 O ATOM 887 OE2 GLU A 57 9.623 10.710 -11.223 1.00 0.00 O ATOM 0 H GLU A 57 9.372 8.902 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 57 11.239 11.085 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.577 10.571 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.122 12.227 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.289 11.593 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.653 9.979 -9.065 1.00 0.00 H new ATOM 894 N ARG A 58 8.507 11.184 -4.740 1.00 0.00 N ATOM 895 CA ARG A 58 7.914 11.715 -3.516 1.00 0.00 C ATOM 896 C ARG A 58 8.509 11.078 -2.252 1.00 0.00 C ATOM 897 O ARG A 58 8.307 11.608 -1.164 1.00 0.00 O ATOM 898 CB ARG A 58 6.400 11.459 -3.558 1.00 0.00 C ATOM 899 CG ARG A 58 5.670 12.270 -4.638 1.00 0.00 C ATOM 900 CD ARG A 58 4.169 11.961 -4.602 1.00 0.00 C ATOM 901 NE ARG A 58 3.415 12.752 -5.590 1.00 0.00 N ATOM 902 CZ ARG A 58 2.145 12.524 -5.950 1.00 0.00 C ATOM 903 NH1 ARG A 58 1.394 11.643 -5.299 1.00 0.00 N ATOM 904 NH2 ARG A 58 1.587 13.190 -6.947 1.00 0.00 N ATOM 0 H ARG A 58 7.933 10.465 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 58 8.131 12.782 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.224 10.397 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.972 11.698 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.834 13.336 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.075 12.030 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.013 10.899 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.782 12.165 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 58 3.897 13.533 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.782 11.126 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.429 11.483 -5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.125 13.891 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.619 13.003 -7.207 1.00 0.00 H new ATOM 918 N ARG A 59 9.231 9.958 -2.382 1.00 0.00 N ATOM 919 CA ARG A 59 9.593 9.049 -1.291 1.00 0.00 C ATOM 920 C ARG A 59 8.366 8.753 -0.432 1.00 0.00 C ATOM 921 O ARG A 59 8.344 9.054 0.760 1.00 0.00 O ATOM 922 CB ARG A 59 10.791 9.554 -0.458 1.00 0.00 C ATOM 923 CG ARG A 59 12.122 9.668 -1.216 1.00 0.00 C ATOM 924 CD ARG A 59 12.252 11.015 -1.931 1.00 0.00 C ATOM 925 NE ARG A 59 13.640 11.313 -2.308 1.00 0.00 N ATOM 926 CZ ARG A 59 14.114 12.522 -2.615 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.300 13.572 -2.677 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.409 12.695 -2.856 1.00 0.00 N ATOM 0 H ARG A 59 9.592 9.650 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 59 9.934 8.114 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.540 10.533 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.931 8.882 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.950 9.545 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.196 8.861 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.628 11.012 -2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.876 11.806 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 59 14.295 10.532 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.304 13.457 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.672 14.492 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.047 11.901 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.765 13.622 -3.090 1.00 0.00 H new ATOM 942 N THR A 60 7.334 8.153 -1.024 1.00 0.00 N ATOM 943 CA THR A 60 6.164 7.707 -0.285 1.00 0.00 C ATOM 944 C THR A 60 5.542 6.491 -0.975 1.00 0.00 C ATOM 945 O THR A 60 5.945 6.095 -2.072 1.00 0.00 O ATOM 946 CB THR A 60 5.203 8.902 -0.084 1.00 0.00 C ATOM 947 OG1 THR A 60 4.262 8.623 0.932 1.00 0.00 O ATOM 948 CG2 THR A 60 4.424 9.277 -1.349 1.00 0.00 C ATOM 0 H THR A 60 7.290 7.965 -2.026 1.00 0.00 H new ATOM 0 HA THR A 60 6.433 7.364 0.714 1.00 0.00 H new ATOM 0 HB THR A 60 5.843 9.741 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.728 8.286 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.770 10.122 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.123 9.549 -2.140 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.824 8.426 -1.673 1.00 0.00 H new ATOM 956 N TYR A 61 4.524 5.921 -0.337 1.00 0.00 N ATOM 957 CA TYR A 61 3.774 4.772 -0.816 1.00 0.00 C ATOM 958 C TYR A 61 2.393 5.251 -1.237 1.00 0.00 C ATOM 959 O TYR A 61 1.682 5.865 -0.439 1.00 0.00 O ATOM 960 CB TYR A 61 3.698 3.710 0.283 1.00 0.00 C ATOM 961 CG TYR A 61 5.061 3.224 0.747 1.00 0.00 C ATOM 962 CD1 TYR A 61 5.751 2.230 0.023 1.00 0.00 C ATOM 963 CD2 TYR A 61 5.642 3.778 1.905 1.00 0.00 C ATOM 964 CE1 TYR A 61 6.992 1.749 0.482 1.00 0.00 C ATOM 965 CE2 TYR A 61 6.894 3.324 2.351 1.00 0.00 C ATOM 966 CZ TYR A 61 7.560 2.291 1.657 1.00 0.00 C ATOM 967 OH TYR A 61 8.741 1.822 2.139 1.00 0.00 O ATOM 0 H TYR A 61 4.188 6.263 0.563 1.00 0.00 H new ATOM 0 HA TYR A 61 4.265 4.314 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.156 4.119 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.122 2.860 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.325 1.836 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.124 4.553 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.507 0.970 -0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.348 3.766 3.226 1.00 0.00 H new ATOM 0 HH TYR A 61 8.980 2.312 2.953 1.00 0.00 H new ATOM 977 N VAL A 62 2.037 5.035 -2.494 1.00 0.00 N ATOM 978 CA VAL A 62 0.850 5.589 -3.146 1.00 0.00 C ATOM 979 C VAL A 62 0.004 4.467 -3.746 1.00 0.00 C ATOM 980 O VAL A 62 0.557 3.424 -4.101 1.00 0.00 O ATOM 981 CB VAL A 62 1.269 6.614 -4.225 1.00 0.00 C ATOM 982 CG1 VAL A 62 1.229 8.043 -3.689 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.675 6.362 -4.789 1.00 0.00 C ATOM 0 H VAL A 62 2.587 4.445 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 62 0.242 6.107 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 62 0.542 6.486 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.530 8.735 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.216 8.281 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.912 8.134 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.906 7.117 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.406 6.418 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.712 5.373 -5.245 1.00 0.00 H new ATOM 993 N PRO A 63 -1.317 4.655 -3.918 1.00 0.00 N ATOM 994 CA PRO A 63 -2.180 3.642 -4.503 1.00 0.00 C ATOM 995 C PRO A 63 -1.883 3.480 -5.986 1.00 0.00 C ATOM 996 O PRO A 63 -1.899 4.450 -6.748 1.00 0.00 O ATOM 997 CB PRO A 63 -3.610 4.109 -4.264 1.00 0.00 C ATOM 998 CG PRO A 63 -3.486 5.629 -4.119 1.00 0.00 C ATOM 999 CD PRO A 63 -2.093 5.823 -3.514 1.00 0.00 C ATOM 0 HA PRO A 63 -2.017 2.664 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.262 3.839 -5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.033 3.656 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.578 6.132 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.264 6.034 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.634 6.742 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.146 5.901 -2.428 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.617 2.248 -6.418 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.187 2.025 -7.793 1.00 0.00 C ATOM 1009 C ALA A 64 -2.329 1.861 -8.786 1.00 0.00 C ATOM 1010 O ALA A 64 -2.123 1.528 -9.953 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.296 0.788 -7.779 1.00 0.00 C ATOM 0 H ALA A 64 -1.690 1.406 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.654 2.911 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.053 0.579 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.561 0.964 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.864 -0.065 -7.408 1.00 0.00 H new ATOM 1017 N LEU A 65 -3.523 2.200 -8.331 1.00 0.00 N ATOM 1018 CA LEU A 65 -4.800 1.909 -8.940 1.00 0.00 C ATOM 1019 C LEU A 65 -5.726 3.099 -8.688 1.00 0.00 C ATOM 1020 O LEU A 65 -5.812 4.016 -9.506 1.00 0.00 O ATOM 1021 CB LEU A 65 -5.409 0.637 -8.346 1.00 0.00 C ATOM 1022 CG LEU A 65 -4.585 -0.620 -8.607 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -3.632 -0.873 -7.441 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -5.548 -1.778 -8.681 1.00 0.00 C ATOM 0 H LEU A 65 -3.628 2.724 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.669 1.746 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.523 0.768 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.408 0.497 -8.758 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.010 -0.506 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.048 -1.772 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.960 -0.022 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.206 -1.006 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.996 -2.699 -8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.088 -1.863 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.257 -1.610 -9.491 1.00 0.00 H new ATOM 1036 N GLU A 66 -6.370 3.088 -7.523 1.00 0.00 N ATOM 1037 CA GLU A 66 -7.247 4.090 -6.960 1.00 0.00 C ATOM 1038 C GLU A 66 -7.178 3.868 -5.444 1.00 0.00 C ATOM 1039 O GLU A 66 -6.608 4.698 -4.746 1.00 0.00 O ATOM 1040 CB GLU A 66 -8.675 3.905 -7.511 1.00 0.00 C ATOM 1041 CG GLU A 66 -9.297 5.222 -7.985 1.00 0.00 C ATOM 1042 CD GLU A 66 -10.812 5.221 -7.767 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -11.461 4.165 -7.977 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -11.309 6.288 -7.320 1.00 0.00 O ATOM 0 H GLU A 66 -6.275 2.292 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.955 5.108 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.652 3.199 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.305 3.467 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.849 6.056 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.078 5.372 -9.042 1.00 0.00 H new ATOM 1051 N GLN A 67 -7.639 2.693 -4.987 1.00 0.00 N ATOM 1052 CA GLN A 67 -7.552 2.098 -3.653 1.00 0.00 C ATOM 1053 C GLN A 67 -7.950 3.033 -2.487 1.00 0.00 C ATOM 1054 O GLN A 67 -8.259 4.213 -2.669 1.00 0.00 O ATOM 1055 CB GLN A 67 -6.165 1.406 -3.524 1.00 0.00 C ATOM 1056 CG GLN A 67 -6.013 -0.035 -4.073 1.00 0.00 C ATOM 1057 CD GLN A 67 -7.162 -0.560 -4.934 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -7.516 0.045 -5.936 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -7.793 -1.664 -4.561 1.00 0.00 N ATOM 0 H GLN A 67 -8.139 2.069 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.325 1.336 -3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.431 2.034 -4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.898 1.390 -2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.097 -0.081 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.883 -0.711 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.493 -2.165 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.578 -2.013 -5.111 1.00 0.00 H new ATOM 1068 N SER A 68 -7.999 2.461 -1.273 1.00 0.00 N ATOM 1069 CA SER A 68 -8.559 3.050 -0.063 1.00 0.00 C ATOM 1070 C SER A 68 -10.080 3.209 -0.195 1.00 0.00 C ATOM 1071 O SER A 68 -10.625 3.475 -1.268 1.00 0.00 O ATOM 1072 CB SER A 68 -7.840 4.365 0.286 1.00 0.00 C ATOM 1073 OG SER A 68 -7.894 4.671 1.668 1.00 0.00 O ATOM 0 H SER A 68 -7.627 1.525 -1.109 1.00 0.00 H new ATOM 0 HA SER A 68 -8.389 2.375 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.798 4.298 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.290 5.181 -0.280 1.00 0.00 H new ATOM 0 HG SER A 68 -7.422 5.513 1.835 1.00 0.00 H new ATOM 1079 N ALA A 69 -10.772 3.043 0.930 1.00 0.00 N ATOM 1080 CA ALA A 69 -12.219 3.153 1.068 1.00 0.00 C ATOM 1081 C ALA A 69 -12.975 2.256 0.088 1.00 0.00 C ATOM 1082 O ALA A 69 -13.990 2.662 -0.495 1.00 0.00 O ATOM 1083 CB ALA A 69 -12.658 4.618 0.986 1.00 0.00 C ATOM 0 H ALA A 69 -10.314 2.817 1.813 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.484 2.784 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.741 4.680 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -12.183 5.186 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.363 5.033 0.022 1.00 0.00 H new ATOM 1089 N ASP A 70 -12.572 0.991 0.046 1.00 0.00 N ATOM 1090 CA ASP A 70 -13.280 -0.083 -0.617 1.00 0.00 C ATOM 1091 C ASP A 70 -14.646 -0.184 0.047 1.00 0.00 C ATOM 1092 O ASP A 70 -14.779 0.035 1.257 1.00 0.00 O ATOM 1093 CB ASP A 70 -12.487 -1.389 -0.502 1.00 0.00 C ATOM 1094 CG ASP A 70 -12.482 -1.963 0.917 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -11.670 -1.496 1.747 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -13.326 -2.847 1.210 1.00 0.00 O ATOM 0 H ASP A 70 -11.709 0.680 0.492 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.400 0.111 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.910 -2.126 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.460 -1.213 -0.820 1.00 0.00 H new ATOM 1101 N GLY A 71 -15.701 -0.351 -0.740 1.00 0.00 N ATOM 1102 CA GLY A 71 -17.038 -0.109 -0.250 1.00 0.00 C ATOM 1103 C GLY A 71 -18.046 -0.919 -1.047 1.00 0.00 C ATOM 1104 O GLY A 71 -18.106 -2.129 -0.871 1.00 0.00 O ATOM 0 H GLY A 71 -15.651 -0.651 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.100 -0.376 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.274 0.953 -0.325 1.00 0.00 H new ATOM 1108 N HIS A 72 -18.838 -0.260 -1.890 1.00 0.00 N ATOM 1109 CA HIS A 72 -19.750 -0.804 -2.897 1.00 0.00 C ATOM 1110 C HIS A 72 -19.510 0.008 -4.184 1.00 0.00 C ATOM 1111 O HIS A 72 -20.392 0.728 -4.659 1.00 0.00 O ATOM 1112 CB HIS A 72 -21.198 -0.755 -2.405 1.00 0.00 C ATOM 1113 CG HIS A 72 -21.593 -1.879 -1.484 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -20.857 -2.496 -0.498 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -22.729 -2.603 -1.645 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -21.558 -3.550 -0.055 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -22.730 -3.636 -0.704 1.00 0.00 N ATOM 0 H HIS A 72 -18.861 0.760 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 72 -19.560 -1.859 -3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -21.359 0.192 -1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -21.861 -0.764 -3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -19.939 -2.203 -0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -23.501 -2.413 -2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -21.227 -4.232 0.714 1.00 0.00 H new ATOM 1125 N LYS A 73 -18.257 0.036 -4.654 1.00 0.00 N ATOM 1126 CA LYS A 73 -17.726 0.948 -5.680 1.00 0.00 C ATOM 1127 C LYS A 73 -16.739 0.157 -6.548 1.00 0.00 C ATOM 1128 O LYS A 73 -16.604 -1.051 -6.346 1.00 0.00 O ATOM 1129 CB LYS A 73 -17.059 2.186 -5.025 1.00 0.00 C ATOM 1130 CG LYS A 73 -17.844 2.722 -3.812 1.00 0.00 C ATOM 1131 CD LYS A 73 -17.313 4.022 -3.210 1.00 0.00 C ATOM 1132 CE LYS A 73 -17.840 4.148 -1.781 1.00 0.00 C ATOM 1133 NZ LYS A 73 -17.321 5.334 -1.093 1.00 0.00 N ATOM 0 H LYS A 73 -17.546 -0.611 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.532 1.330 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.049 1.924 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.965 2.977 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.881 2.877 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.847 1.957 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.223 4.023 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.634 4.875 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.929 4.191 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.567 3.256 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.370 5.188 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.332 5.493 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.892 6.164 -1.352 1.00 0.00 H new ATOM 1147 N GLU A 74 -16.071 0.789 -7.515 1.00 0.00 N ATOM 1148 CA GLU A 74 -15.085 0.085 -8.337 1.00 0.00 C ATOM 1149 C GLU A 74 -13.883 -0.294 -7.473 1.00 0.00 C ATOM 1150 O GLU A 74 -13.756 -1.444 -7.049 1.00 0.00 O ATOM 1151 CB GLU A 74 -14.696 0.913 -9.572 1.00 0.00 C ATOM 1152 CG GLU A 74 -13.901 0.034 -10.567 1.00 0.00 C ATOM 1153 CD GLU A 74 -14.223 0.251 -12.052 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -15.153 1.013 -12.405 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -13.559 -0.406 -12.897 1.00 0.00 O ATOM 0 H GLU A 74 -16.192 1.775 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.522 -0.836 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.591 1.305 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.095 1.771 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.837 0.216 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.083 -1.013 -10.324 1.00 0.00 H new ATOM 1162 N THR A 75 -13.057 0.700 -7.163 1.00 0.00 N ATOM 1163 CA THR A 75 -11.845 0.558 -6.371 1.00 0.00 C ATOM 1164 C THR A 75 -11.846 1.516 -5.196 1.00 0.00 C ATOM 1165 O THR A 75 -11.605 1.106 -4.058 1.00 0.00 O ATOM 1166 CB THR A 75 -10.592 0.767 -7.244 1.00 0.00 C ATOM 1167 OG1 THR A 75 -10.842 1.490 -8.448 1.00 0.00 O ATOM 1168 CG2 THR A 75 -10.029 -0.605 -7.612 1.00 0.00 C ATOM 0 H THR A 75 -13.221 1.659 -7.468 1.00 0.00 H new ATOM 0 HA THR A 75 -11.820 -0.458 -5.977 1.00 0.00 H new ATOM 0 HB THR A 75 -9.892 1.362 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.056 2.422 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.140 -0.480 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.765 -1.146 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.779 -1.170 -8.165 1.00 0.00 H new ATOM 1176 N GLY A 76 -12.131 2.778 -5.476 1.00 0.00 N ATOM 1177 CA GLY A 76 -12.197 3.848 -4.506 1.00 0.00 C ATOM 1178 C GLY A 76 -13.337 4.780 -4.896 1.00 0.00 C ATOM 1179 O GLY A 76 -13.845 4.683 -6.018 1.00 0.00 O ATOM 0 H GLY A 76 -12.330 3.093 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.362 3.445 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.254 4.393 -4.478 1.00 0.00 H new ATOM 1183 N ALA A 77 -13.803 5.613 -3.959 1.00 0.00 N ATOM 1184 CA ALA A 77 -14.647 6.790 -4.179 1.00 0.00 C ATOM 1185 C ALA A 77 -15.081 7.383 -2.829 1.00 0.00 C ATOM 1186 O ALA A 77 -15.094 6.652 -1.832 1.00 0.00 O ATOM 1187 CB ALA A 77 -15.863 6.488 -5.070 1.00 0.00 C ATOM 0 H ALA A 77 -13.588 5.475 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.051 7.527 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -16.453 7.395 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -15.522 6.135 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -16.477 5.720 -4.600 1.00 0.00 H new ATOM 1193 N PRO A 78 -15.522 8.653 -2.784 1.00 0.00 N ATOM 1194 CA PRO A 78 -16.013 9.322 -1.571 1.00 0.00 C ATOM 1195 C PRO A 78 -17.385 8.797 -1.124 1.00 0.00 C ATOM 1196 O PRO A 78 -17.942 7.879 -1.722 1.00 0.00 O ATOM 1197 CB PRO A 78 -16.089 10.807 -1.960 1.00 0.00 C ATOM 1198 CG PRO A 78 -16.421 10.753 -3.442 1.00 0.00 C ATOM 1199 CD PRO A 78 -15.574 9.576 -3.910 1.00 0.00 C ATOM 0 HA PRO A 78 -15.356 9.139 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.856 11.334 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.146 11.322 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.484 10.587 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.155 11.677 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.015 9.100 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.574 9.903 -4.195 1.00 0.00 H new ATOM 1207 N SER A 79 -17.948 9.394 -0.068 1.00 0.00 N ATOM 1208 CA SER A 79 -19.358 9.302 0.295 1.00 0.00 C ATOM 1209 C SER A 79 -20.212 9.499 -0.958 1.00 0.00 C ATOM 1210 O SER A 79 -20.207 10.575 -1.578 1.00 0.00 O ATOM 1211 CB SER A 79 -19.662 10.383 1.323 1.00 0.00 C ATOM 1212 OG SER A 79 -18.817 10.265 2.456 1.00 0.00 O ATOM 0 H SER A 79 -17.412 9.974 0.577 1.00 0.00 H new ATOM 0 HA SER A 79 -19.584 8.324 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.532 11.366 0.870 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.704 10.310 1.634 1.00 0.00 H new ATOM 0 HG SER A 79 -19.032 10.972 3.100 1.00 0.00 H new ATOM 1218 N LYS A 80 -20.923 8.450 -1.351 1.00 0.00 N ATOM 1219 CA LYS A 80 -21.725 8.353 -2.571 1.00 0.00 C ATOM 1220 C LYS A 80 -23.075 7.736 -2.192 1.00 0.00 C ATOM 1221 O LYS A 80 -23.699 7.017 -2.966 1.00 0.00 O ATOM 1222 CB LYS A 80 -20.899 7.566 -3.612 1.00 0.00 C ATOM 1223 CG LYS A 80 -21.514 7.573 -5.021 1.00 0.00 C ATOM 1224 CD LYS A 80 -22.063 6.204 -5.449 1.00 0.00 C ATOM 1225 CE LYS A 80 -23.168 6.381 -6.493 1.00 0.00 C ATOM 1226 NZ LYS A 80 -23.793 5.098 -6.861 1.00 0.00 N ATOM 0 H LYS A 80 -20.960 7.594 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 80 -21.954 9.313 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.895 7.988 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -20.795 6.534 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -22.319 8.307 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -20.759 7.895 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -21.259 5.594 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -22.454 5.673 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -23.930 7.056 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.752 6.850 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -24.535 5.264 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -23.072 4.462 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -24.213 4.661 -6.016 1.00 0.00 H new ATOM 1240 N GLU A 81 -23.466 7.970 -0.934 1.00 0.00 N ATOM 1241 CA GLU A 81 -24.561 7.354 -0.216 1.00 0.00 C ATOM 1242 C GLU A 81 -24.259 5.878 0.035 1.00 0.00 C ATOM 1243 O GLU A 81 -23.707 5.159 -0.799 1.00 0.00 O ATOM 1244 CB GLU A 81 -25.884 7.598 -0.946 1.00 0.00 C ATOM 1245 CG GLU A 81 -27.096 7.408 -0.035 1.00 0.00 C ATOM 1246 CD GLU A 81 -28.356 7.792 -0.803 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -28.514 9.012 -1.069 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -29.121 6.885 -1.172 1.00 0.00 O ATOM 0 H GLU A 81 -22.977 8.653 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 81 -24.670 7.816 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -25.892 8.610 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -25.959 6.916 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -27.159 6.372 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -26.996 8.025 0.858 1.00 0.00 H new ATOM 1255 N GLY A 82 -24.507 5.435 1.256 1.00 0.00 N ATOM 1256 CA GLY A 82 -24.704 4.018 1.577 1.00 0.00 C ATOM 1257 C GLY A 82 -23.424 3.346 2.057 1.00 0.00 C ATOM 1258 O GLY A 82 -23.418 2.160 2.372 1.00 0.00 O ATOM 0 H GLY A 82 -24.579 6.050 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -25.470 3.926 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -25.075 3.497 0.695 1.00 0.00 H new ATOM 1262 N LYS A 83 -22.323 4.097 2.109 1.00 0.00 N ATOM 1263 CA LYS A 83 -21.038 3.718 2.681 1.00 0.00 C ATOM 1264 C LYS A 83 -20.340 4.975 3.218 1.00 0.00 C ATOM 1265 O LYS A 83 -19.113 4.981 3.362 1.00 0.00 O ATOM 1266 CB LYS A 83 -20.208 3.002 1.592 1.00 0.00 C ATOM 1267 CG LYS A 83 -19.800 1.566 1.958 1.00 0.00 C ATOM 1268 CD LYS A 83 -20.792 0.488 1.469 1.00 0.00 C ATOM 1269 CE LYS A 83 -21.235 -0.504 2.553 1.00 0.00 C ATOM 1270 NZ LYS A 83 -22.058 0.122 3.609 1.00 0.00 N ATOM 0 H LYS A 83 -22.308 5.043 1.729 1.00 0.00 H new ATOM 0 HA LYS A 83 -21.161 3.029 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.784 2.980 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.308 3.585 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.817 1.359 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.703 1.492 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -21.675 0.982 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -20.332 -0.067 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.802 -1.311 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.353 -0.955 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -22.625 -0.608 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.438 0.587 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.691 0.828 3.183 1.00 0.00 H new ATOM 1284 N GLU A 84 -21.061 6.085 3.412 1.00 0.00 N ATOM 1285 CA GLU A 84 -20.455 7.367 3.755 1.00 0.00 C ATOM 1286 C GLU A 84 -19.692 7.219 5.071 1.00 0.00 C ATOM 1287 O GLU A 84 -20.181 6.585 6.007 1.00 0.00 O ATOM 1288 CB GLU A 84 -21.493 8.502 3.752 1.00 0.00 C ATOM 1289 CG GLU A 84 -22.446 8.567 4.950 1.00 0.00 C ATOM 1290 CD GLU A 84 -23.535 9.611 4.697 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -24.566 9.266 4.068 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -23.336 10.794 5.063 1.00 0.00 O ATOM 0 H GLU A 84 -22.078 6.115 3.335 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.733 7.657 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.960 9.451 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -22.092 8.413 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.899 7.590 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.891 8.820 5.853 1.00 0.00 H new ATOM 1299 N LYS A 85 -18.450 7.719 5.107 1.00 0.00 N ATOM 1300 CA LYS A 85 -17.546 7.620 6.262 1.00 0.00 C ATOM 1301 C LYS A 85 -17.396 6.193 6.834 1.00 0.00 C ATOM 1302 O LYS A 85 -16.902 6.019 7.948 1.00 0.00 O ATOM 1303 CB LYS A 85 -17.981 8.655 7.318 1.00 0.00 C ATOM 1304 CG LYS A 85 -17.280 10.019 7.232 1.00 0.00 C ATOM 1305 CD LYS A 85 -17.449 10.815 5.931 1.00 0.00 C ATOM 1306 CE LYS A 85 -16.372 10.433 4.907 1.00 0.00 C ATOM 1307 NZ LYS A 85 -16.203 11.425 3.830 1.00 0.00 N ATOM 0 H LYS A 85 -18.036 8.214 4.317 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.537 7.853 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.056 8.812 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.802 8.236 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.641 10.636 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.214 9.862 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.437 10.627 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.391 11.882 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.421 10.304 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.628 9.470 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.287 11.275 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.970 11.317 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.233 12.383 4.233 1.00 0.00 H new ATOM 1321 N LYS A 86 -17.746 5.154 6.069 1.00 0.00 N ATOM 1322 CA LYS A 86 -17.832 3.771 6.532 1.00 0.00 C ATOM 1323 C LYS A 86 -18.609 3.693 7.843 1.00 0.00 C ATOM 1324 O LYS A 86 -18.112 3.182 8.846 1.00 0.00 O ATOM 1325 CB LYS A 86 -16.439 3.119 6.638 1.00 0.00 C ATOM 1326 CG LYS A 86 -15.538 3.304 5.414 1.00 0.00 C ATOM 1327 CD LYS A 86 -16.161 2.780 4.119 1.00 0.00 C ATOM 1328 CE LYS A 86 -15.153 2.966 2.990 1.00 0.00 C ATOM 1329 NZ LYS A 86 -15.731 2.555 1.704 1.00 0.00 N ATOM 0 H LYS A 86 -17.984 5.258 5.083 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.384 3.196 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.929 3.529 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.568 2.051 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.310 4.363 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.592 2.791 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.423 1.727 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.083 3.318 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.846 4.011 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.257 2.380 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.192 2.988 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.689 1.519 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.722 2.867 1.653 1.00 0.00 H new ATOM 1343 N GLU A 87 -19.840 4.193 7.856 1.00 0.00 N ATOM 1344 CA GLU A 87 -20.847 3.726 8.800 1.00 0.00 C ATOM 1345 C GLU A 87 -21.106 2.234 8.532 1.00 0.00 C ATOM 1346 O GLU A 87 -21.802 1.886 7.578 1.00 0.00 O ATOM 1347 CB GLU A 87 -22.123 4.573 8.691 1.00 0.00 C ATOM 1348 CG GLU A 87 -22.639 4.832 7.259 1.00 0.00 C ATOM 1349 CD GLU A 87 -24.115 4.486 7.073 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -24.937 4.876 7.929 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -24.464 3.899 6.016 1.00 0.00 O ATOM 0 H GLU A 87 -20.164 4.923 7.222 1.00 0.00 H new ATOM 0 HA GLU A 87 -20.493 3.839 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -22.913 4.080 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -21.940 5.535 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -22.486 5.882 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -22.045 4.248 6.556 1.00 0.00 H new ATOM 1358 N LYS A 88 -20.485 1.333 9.294 1.00 0.00 N ATOM 1359 CA LYS A 88 -20.604 -0.117 9.127 1.00 0.00 C ATOM 1360 C LYS A 88 -21.299 -0.655 10.372 1.00 0.00 C ATOM 1361 O LYS A 88 -20.851 -0.375 11.485 1.00 0.00 O ATOM 1362 CB LYS A 88 -19.197 -0.724 8.954 1.00 0.00 C ATOM 1363 CG LYS A 88 -19.220 -2.237 8.682 1.00 0.00 C ATOM 1364 CD LYS A 88 -17.829 -2.876 8.765 1.00 0.00 C ATOM 1365 CE LYS A 88 -17.031 -2.712 7.469 1.00 0.00 C ATOM 1366 NZ LYS A 88 -15.585 -2.895 7.703 1.00 0.00 N ATOM 0 H LYS A 88 -19.870 1.597 10.064 1.00 0.00 H new ATOM 0 HA LYS A 88 -21.185 -0.380 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.690 -0.221 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -18.612 -0.532 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -19.881 -2.721 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -19.639 -2.417 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.275 -2.426 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.933 -3.937 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.377 -3.437 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.212 -1.722 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.071 -2.778 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.252 -2.187 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.412 -3.849 8.079 1.00 0.00 H new ATOM 1380 N HIS A 89 -22.355 -1.449 10.209 1.00 0.00 N ATOM 1381 CA HIS A 89 -23.082 -2.052 11.322 1.00 0.00 C ATOM 1382 C HIS A 89 -23.292 -3.540 11.077 1.00 0.00 C ATOM 1383 O HIS A 89 -23.171 -4.013 9.940 1.00 0.00 O ATOM 1384 CB HIS A 89 -24.410 -1.311 11.548 1.00 0.00 C ATOM 1385 CG HIS A 89 -24.265 0.020 12.246 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -25.037 1.139 12.033 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -23.413 0.307 13.278 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -24.668 2.075 12.920 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -23.659 1.622 13.687 1.00 0.00 N ATOM 0 H HIS A 89 -22.732 -1.693 9.293 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.491 -1.956 12.233 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -24.893 -1.152 10.584 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -25.072 -1.947 12.136 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.680 -0.363 13.702 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -25.117 3.053 13.007 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -23.171 2.135 14.421 1.00 0.00 H new ATOM 1397 N LYS A 90 -23.608 -4.286 12.140 1.00 0.00 N ATOM 1398 CA LYS A 90 -23.937 -5.704 12.052 1.00 0.00 C ATOM 1399 C LYS A 90 -25.449 -5.802 12.024 1.00 0.00 C ATOM 1400 O LYS A 90 -26.107 -5.367 12.967 1.00 0.00 O ATOM 1401 CB LYS A 90 -23.336 -6.503 13.226 1.00 0.00 C ATOM 1402 CG LYS A 90 -23.074 -7.959 12.788 1.00 0.00 C ATOM 1403 CD LYS A 90 -22.905 -8.908 13.984 1.00 0.00 C ATOM 1404 CE LYS A 90 -24.254 -9.439 14.495 1.00 0.00 C ATOM 1405 NZ LYS A 90 -24.804 -10.531 13.657 1.00 0.00 N ATOM 0 H LYS A 90 -23.642 -3.916 13.090 1.00 0.00 H new ATOM 0 HA LYS A 90 -23.508 -6.141 11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -22.406 -6.040 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -24.018 -6.486 14.076 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -23.902 -8.304 12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -22.177 -7.994 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -22.272 -9.747 13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -22.392 -8.385 14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -24.133 -9.799 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -24.971 -8.619 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -25.840 -10.551 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -24.548 -10.368 12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -24.411 -11.441 13.971 1.00 0.00 H new ATOM 1419 N THR A 91 -25.996 -6.359 10.955 1.00 0.00 N ATOM 1420 CA THR A 91 -27.396 -6.735 10.874 1.00 0.00 C ATOM 1421 C THR A 91 -27.471 -8.171 10.365 1.00 0.00 C ATOM 1422 O THR A 91 -26.572 -8.622 9.642 1.00 0.00 O ATOM 1423 CB THR A 91 -28.163 -5.741 9.984 1.00 0.00 C ATOM 1424 OG1 THR A 91 -27.410 -5.366 8.840 1.00 0.00 O ATOM 1425 CG2 THR A 91 -28.542 -4.483 10.766 1.00 0.00 C ATOM 0 H THR A 91 -25.470 -6.565 10.106 1.00 0.00 H new ATOM 0 HA THR A 91 -27.873 -6.693 11.853 1.00 0.00 H new ATOM 0 HB THR A 91 -29.068 -6.252 9.655 1.00 0.00 H new ATOM 0 HG1 THR A 91 -27.930 -4.736 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 91 -29.083 -3.798 10.113 1.00 0.00 H new ATOM 0 HG22 THR A 91 -29.175 -4.756 11.610 1.00 0.00 H new ATOM 0 HG23 THR A 91 -27.638 -3.997 11.133 1.00 0.00 H new ATOM 1433 N LYS A 92 -28.543 -8.878 10.733 1.00 0.00 N ATOM 1434 CA LYS A 92 -28.529 -10.331 10.871 1.00 0.00 C ATOM 1435 C LYS A 92 -27.403 -10.637 11.854 1.00 0.00 C ATOM 1436 O LYS A 92 -27.416 -10.037 12.948 1.00 0.00 O ATOM 1437 CB LYS A 92 -28.428 -11.056 9.510 1.00 0.00 C ATOM 1438 CG LYS A 92 -29.441 -10.586 8.446 1.00 0.00 C ATOM 1439 CD LYS A 92 -29.031 -11.064 7.044 1.00 0.00 C ATOM 1440 CE LYS A 92 -29.900 -10.466 5.928 1.00 0.00 C ATOM 1441 NZ LYS A 92 -31.081 -11.300 5.620 1.00 0.00 N ATOM 0 H LYS A 92 -29.447 -8.454 10.944 1.00 0.00 H new ATOM 0 HA LYS A 92 -29.470 -10.717 11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -27.421 -10.920 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -28.565 -12.125 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -30.432 -10.969 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -29.508 -9.498 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -27.989 -10.799 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -29.095 -12.151 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -30.230 -9.470 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -29.298 -10.348 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -31.634 -10.853 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -30.769 -12.243 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -31.672 -11.392 6.471 1.00 0.00 H new TER 1455 LYS A 92