USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1070 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 57 CYS SG : rot 17:sc= 0.602 USER MOD Set 1.2: A 68 CYS SG : rot -92:sc= -0.391 USER MOD Set 1.3: A 80 CYS SG : rot 180:sc=-0.00245 USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 133 HIS : no HE2:sc= 0.125 K(o=0.12,f=-0.54) USER MOD Set 3.1: A 34 SER OG : rot 180:sc= -0.103 USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 30 GLN : amide:sc= -0.0761 K(o=-3.3,f=-4.4) USER MOD Set 4.2: A 38 HIS : no HE2:sc= -3.24! C(o=-3.3!,f=-12!) USER MOD Single : A 1 TYR N :NH3+ -101:sc= 0.177 (180deg=0.0499) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -1:sc= 0.172 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 62:sc= 0.192 USER MOD Single : A 15 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1.5!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0643) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 140:sc= -0.239 USER MOD Single : A 24 MET CE :methyl 155:sc= -0.128 (180deg=-0.645) USER MOD Single : A 25 SER OG : rot -26:sc= 0.514 USER MOD Single : A 29 CYS SG : rot -41:sc= -2.91! USER MOD Single : A 35 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.51) USER MOD Single : A 40 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-1.4) USER MOD Single : A 42 TYR OH : rot -70:sc= -1.19 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 2.49 (180deg=2.42) USER MOD Single : A 49 ASN : amide:sc= -0.389 K(o=-0.39,f=-5!) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.901) USER MOD Single : A 51 ASN : amide:sc= 1.14 K(o=1.1,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.304 K(o=0.3,f=-4.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.13 K(o=-0.13,f=-9.3!) USER MOD Single : A 70 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 71 THR OG1 : rot 158:sc= -0.188 USER MOD Single : A 74 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.06) USER MOD Single : A 85 CYS SG : rot 180:sc= -1.24 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 LYS NZ :NH3+ -155:sc= 2.42 (180deg=2.4) USER MOD Single : B 107 THR OG1 : rot -47:sc= 0.596 USER MOD Single : B 113 GLN : amide:sc= 0.783 K(o=0.78,f=-4.7!) USER MOD Single : B 116 LYS NZ :NH3+ -168:sc= 0.951 (180deg=0.466) USER MOD Single : B 117 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.92) USER MOD Single : B 129 LYS NZ :NH3+ 145:sc= 1.55 (180deg=0.306) USER MOD Single : B 130 SER OG : rot -53:sc= 1.23 USER MOD Single : B 135 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.52) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ -170:sc=-0.00931 (180deg=-0.124) USER MOD Single : B 143 LYS NZ :NH3+ -176:sc= 3.47 (180deg=3.17) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -22.729 5.683 -11.791 1.00 15.00 N ATOM 2 CA TYR A 1 -23.969 5.923 -12.568 1.00 15.00 C ATOM 3 C TYR A 1 -24.625 7.228 -12.128 1.00 15.00 C ATOM 4 O TYR A 1 -25.036 8.040 -12.959 1.00 15.00 O ATOM 5 CB TYR A 1 -24.945 4.756 -12.393 1.00 15.00 C ATOM 6 CG TYR A 1 -24.356 3.408 -12.754 1.00 15.00 C ATOM 7 CD1 TYR A 1 -24.281 2.996 -14.077 1.00 15.00 C ATOM 8 CD2 TYR A 1 -23.874 2.551 -11.772 1.00 15.00 C ATOM 9 CE1 TYR A 1 -23.740 1.771 -14.412 1.00 15.00 C ATOM 10 CE2 TYR A 1 -23.332 1.324 -12.099 1.00 15.00 C ATOM 11 CZ TYR A 1 -23.266 0.940 -13.421 1.00 15.00 C ATOM 12 OH TYR A 1 -22.724 -0.278 -13.754 1.00 15.00 O ATOM 0 H1 TYR A 1 -21.903 5.946 -12.365 1.00 15.00 H new ATOM 0 H2 TYR A 1 -22.746 6.258 -10.925 1.00 15.00 H new ATOM 0 H3 TYR A 1 -22.668 4.676 -11.537 1.00 15.00 H new ATOM 0 HA TYR A 1 -23.706 6.001 -13.623 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -25.283 4.729 -11.357 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -25.825 4.935 -13.011 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -24.652 3.644 -14.857 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -23.924 2.850 -10.735 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -23.689 1.465 -15.447 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -22.962 0.669 -11.324 1.00 15.00 H new ATOM 0 HH TYR A 1 -22.436 -0.741 -12.940 1.00 15.00 H new ATOM 24 N VAL A 2 -24.733 7.422 -10.821 1.00 15.00 N ATOM 25 CA VAL A 2 -25.317 8.635 -10.272 1.00 15.00 C ATOM 26 C VAL A 2 -24.332 9.289 -9.313 1.00 15.00 C ATOM 27 O VAL A 2 -23.357 8.658 -8.896 1.00 15.00 O ATOM 28 CB VAL A 2 -26.647 8.363 -9.535 1.00 15.00 C ATOM 29 CG1 VAL A 2 -27.720 7.908 -10.512 1.00 15.00 C ATOM 30 CG2 VAL A 2 -26.456 7.334 -8.430 1.00 15.00 C ATOM 0 H VAL A 2 -24.422 6.751 -10.119 1.00 15.00 H new ATOM 0 HA VAL A 2 -25.532 9.301 -11.108 1.00 15.00 H new ATOM 0 HB VAL A 2 -26.975 9.296 -9.076 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -28.648 7.722 -9.972 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -27.884 8.684 -11.259 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -27.397 6.991 -11.006 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -27.407 7.160 -7.926 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -26.098 6.399 -8.861 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -25.727 7.705 -7.710 1.00 15.00 H new ATOM 40 N GLU A 3 -24.581 10.542 -8.960 1.00 15.00 N ATOM 41 CA GLU A 3 -23.692 11.256 -8.059 1.00 15.00 C ATOM 42 C GLU A 3 -23.943 10.846 -6.614 1.00 15.00 C ATOM 43 O GLU A 3 -23.044 10.902 -5.777 1.00 15.00 O ATOM 44 CB GLU A 3 -23.872 12.764 -8.215 1.00 15.00 C ATOM 45 CG GLU A 3 -22.575 13.541 -8.058 1.00 15.00 C ATOM 46 CD GLU A 3 -21.491 13.040 -8.989 1.00 15.00 C ATOM 47 OE1 GLU A 3 -21.709 13.062 -10.221 1.00 15.00 O ATOM 48 OE2 GLU A 3 -20.422 12.617 -8.495 1.00 15.00 O1- ATOM 0 H GLU A 3 -25.385 11.081 -9.282 1.00 15.00 H new ATOM 0 HA GLU A 3 -22.666 10.995 -8.319 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -24.297 12.973 -9.197 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -24.591 13.116 -7.475 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -22.760 14.597 -8.254 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -22.230 13.464 -7.027 1.00 15.00 H new ATOM 55 N PHE A 4 -25.164 10.432 -6.325 1.00 15.00 N ATOM 56 CA PHE A 4 -25.529 10.014 -4.979 1.00 15.00 C ATOM 57 C PHE A 4 -25.526 8.495 -4.860 1.00 15.00 C ATOM 58 O PHE A 4 -26.494 7.827 -5.221 1.00 15.00 O ATOM 59 CB PHE A 4 -26.896 10.583 -4.591 1.00 15.00 C ATOM 60 CG PHE A 4 -26.826 11.997 -4.086 1.00 15.00 C ATOM 61 CD1 PHE A 4 -26.581 12.254 -2.746 1.00 15.00 C ATOM 62 CD2 PHE A 4 -27.000 13.065 -4.951 1.00 15.00 C ATOM 63 CE1 PHE A 4 -26.513 13.552 -2.278 1.00 15.00 C ATOM 64 CE2 PHE A 4 -26.934 14.364 -4.488 1.00 15.00 C ATOM 65 CZ PHE A 4 -26.691 14.607 -3.151 1.00 15.00 C ATOM 0 H PHE A 4 -25.923 10.376 -7.005 1.00 15.00 H new ATOM 0 HA PHE A 4 -24.783 10.408 -4.288 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -27.557 10.545 -5.457 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -27.341 9.951 -3.822 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -26.442 11.431 -2.061 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -27.189 12.880 -5.998 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -26.321 13.741 -1.232 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -27.072 15.189 -5.171 1.00 15.00 H new ATOM 0 HZ PHE A 4 -26.640 15.623 -2.788 1.00 15.00 H new ATOM 75 N SER A 5 -24.422 7.953 -4.366 1.00 15.00 N ATOM 76 CA SER A 5 -24.286 6.517 -4.190 1.00 15.00 C ATOM 77 C SER A 5 -24.528 6.145 -2.731 1.00 15.00 C ATOM 78 O SER A 5 -24.135 6.885 -1.829 1.00 15.00 O ATOM 79 CB SER A 5 -22.894 6.069 -4.629 1.00 15.00 C ATOM 80 OG SER A 5 -22.530 6.689 -5.853 1.00 15.00 O ATOM 0 H SER A 5 -23.604 8.491 -4.079 1.00 15.00 H new ATOM 0 HA SER A 5 -25.028 6.010 -4.807 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.166 6.320 -3.858 1.00 15.00 H new ATOM 0 HB3 SER A 5 -22.875 4.985 -4.745 1.00 15.00 H new ATOM 0 HG SER A 5 -21.635 6.391 -6.117 1.00 15.00 H new ATOM 86 N GLU A 6 -25.176 5.012 -2.498 1.00 15.00 N ATOM 87 CA GLU A 6 -25.464 4.579 -1.140 1.00 15.00 C ATOM 88 C GLU A 6 -25.135 3.100 -0.954 1.00 15.00 C ATOM 89 O GLU A 6 -25.796 2.230 -1.521 1.00 15.00 O ATOM 90 CB GLU A 6 -26.936 4.845 -0.806 1.00 15.00 C ATOM 91 CG GLU A 6 -27.238 4.834 0.682 1.00 15.00 C ATOM 92 CD GLU A 6 -26.323 5.750 1.468 1.00 15.00 C ATOM 93 OE1 GLU A 6 -25.434 5.237 2.183 1.00 15.00 O ATOM 94 OE2 GLU A 6 -26.487 6.986 1.375 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.510 4.381 -3.227 1.00 15.00 H new ATOM 0 HA GLU A 6 -24.836 5.151 -0.457 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.224 5.812 -1.219 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.552 4.093 -1.298 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -28.273 5.136 0.841 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.141 3.817 1.061 1.00 15.00 H new ATOM 101 N GLU A 7 -24.104 2.823 -0.166 1.00 15.00 N ATOM 102 CA GLU A 7 -23.685 1.454 0.097 1.00 15.00 C ATOM 103 C GLU A 7 -23.013 1.350 1.463 1.00 15.00 C ATOM 104 O GLU A 7 -22.695 2.367 2.084 1.00 15.00 O ATOM 105 CB GLU A 7 -22.733 0.962 -0.997 1.00 15.00 C ATOM 106 CG GLU A 7 -21.571 1.903 -1.272 1.00 15.00 C ATOM 107 CD GLU A 7 -20.857 1.586 -2.570 1.00 15.00 C ATOM 108 OE1 GLU A 7 -19.619 1.425 -2.553 1.00 15.00 O ATOM 109 OE2 GLU A 7 -21.530 1.504 -3.620 1.00 15.00 O1- ATOM 0 H GLU A 7 -23.541 3.532 0.304 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.573 0.822 0.097 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.338 -0.013 -0.710 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.297 0.819 -1.918 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -21.939 2.928 -1.306 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -20.860 1.846 -0.448 1.00 15.00 H new ATOM 116 N CYS A 8 -22.827 0.122 1.932 1.00 15.00 N ATOM 117 CA CYS A 8 -22.195 -0.133 3.222 1.00 15.00 C ATOM 118 C CYS A 8 -21.416 -1.444 3.174 1.00 15.00 C ATOM 119 O CYS A 8 -21.876 -2.419 2.580 1.00 15.00 O ATOM 120 CB CYS A 8 -23.252 -0.198 4.328 1.00 15.00 C ATOM 121 SG CYS A 8 -24.260 1.297 4.498 1.00 15.00 S ATOM 0 H CYS A 8 -23.108 -0.722 1.432 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.506 0.684 3.439 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -23.911 -1.044 4.133 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.754 -0.394 5.277 1.00 15.00 H new ATOM 0 HG CYS A 8 -23.865 2.187 3.637 1.00 15.00 H new ATOM 127 N MET A 9 -20.237 -1.468 3.784 1.00 15.00 N ATOM 128 CA MET A 9 -19.409 -2.670 3.792 1.00 15.00 C ATOM 129 C MET A 9 -19.248 -3.223 5.204 1.00 15.00 C ATOM 130 O MET A 9 -19.484 -2.520 6.192 1.00 15.00 O ATOM 131 CB MET A 9 -18.037 -2.381 3.178 1.00 15.00 C ATOM 132 CG MET A 9 -18.100 -2.031 1.699 1.00 15.00 C ATOM 133 SD MET A 9 -18.842 -3.341 0.705 1.00 15.00 S ATOM 134 CE MET A 9 -19.441 -2.397 -0.697 1.00 15.00 C ATOM 0 H MET A 9 -19.833 -0.672 4.278 1.00 15.00 H new ATOM 0 HA MET A 9 -19.914 -3.425 3.189 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.571 -1.558 3.719 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.397 -3.253 3.311 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.675 -1.114 1.571 1.00 15.00 H new ATOM 0 HG3 MET A 9 -17.093 -1.830 1.334 1.00 15.00 H new ATOM 0 HE1 MET A 9 -19.928 -3.067 -1.406 1.00 15.00 H new ATOM 0 HE2 MET A 9 -20.157 -1.650 -0.354 1.00 15.00 H new ATOM 0 HE3 MET A 9 -18.603 -1.899 -1.185 1.00 15.00 H new ATOM 144 N HIS A 10 -18.846 -4.485 5.286 1.00 15.00 N ATOM 145 CA HIS A 10 -18.664 -5.166 6.565 1.00 15.00 C ATOM 146 C HIS A 10 -17.356 -4.754 7.238 1.00 15.00 C ATOM 147 O HIS A 10 -16.294 -5.301 6.930 1.00 15.00 O ATOM 148 CB HIS A 10 -18.692 -6.687 6.344 1.00 15.00 C ATOM 149 CG HIS A 10 -18.463 -7.509 7.583 1.00 15.00 C ATOM 150 ND1 HIS A 10 -19.488 -7.811 8.449 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.318 -8.081 8.040 1.00 15.00 C ATOM 152 CE1 HIS A 10 -18.950 -8.554 9.403 1.00 15.00 C ATOM 153 NE2 HIS A 10 -17.641 -8.741 9.195 1.00 15.00 N ATOM 0 H HIS A 10 -18.637 -5.064 4.473 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.480 -4.876 7.227 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -19.657 -6.960 5.917 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -17.932 -6.947 5.607 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.342 -8.026 7.581 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -19.497 -8.958 10.242 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -17.004 -9.275 9.786 1.00 15.00 H new ATOM 161 N GLY A 11 -17.452 -3.797 8.161 1.00 15.00 N ATOM 162 CA GLY A 11 -16.295 -3.317 8.902 1.00 15.00 C ATOM 163 C GLY A 11 -15.082 -3.021 8.036 1.00 15.00 C ATOM 164 O GLY A 11 -15.100 -2.096 7.223 1.00 15.00 O ATOM 0 H GLY A 11 -18.328 -3.339 8.412 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.573 -2.411 9.441 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -16.021 -4.062 9.649 1.00 15.00 H new ATOM 168 N SER A 12 -14.038 -3.821 8.214 1.00 15.00 N ATOM 169 CA SER A 12 -12.792 -3.658 7.483 1.00 15.00 C ATOM 170 C SER A 12 -12.960 -3.939 5.992 1.00 15.00 C ATOM 171 O SER A 12 -12.257 -3.362 5.164 1.00 15.00 O ATOM 172 CB SER A 12 -11.742 -4.592 8.077 1.00 15.00 C ATOM 173 OG SER A 12 -12.346 -5.544 8.941 1.00 15.00 O ATOM 0 H SER A 12 -14.034 -4.602 8.871 1.00 15.00 H new ATOM 0 HA SER A 12 -12.473 -2.620 7.580 1.00 15.00 H new ATOM 0 HB2 SER A 12 -11.211 -5.106 7.276 1.00 15.00 H new ATOM 0 HB3 SER A 12 -11.002 -4.011 8.628 1.00 15.00 H new ATOM 0 HG SER A 12 -12.973 -6.098 8.430 1.00 15.00 H new ATOM 179 N GLY A 13 -13.895 -4.820 5.659 1.00 15.00 N ATOM 180 CA GLY A 13 -14.132 -5.166 4.272 1.00 15.00 C ATOM 181 C GLY A 13 -12.940 -5.858 3.646 1.00 15.00 C ATOM 182 O GLY A 13 -12.377 -5.375 2.667 1.00 15.00 O ATOM 0 H GLY A 13 -14.495 -5.302 6.328 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -15.004 -5.816 4.205 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -14.364 -4.263 3.708 1.00 15.00 H new ATOM 186 N GLU A 14 -12.550 -6.991 4.214 1.00 15.00 N ATOM 187 CA GLU A 14 -11.411 -7.741 3.706 1.00 15.00 C ATOM 188 C GLU A 14 -11.759 -8.393 2.375 1.00 15.00 C ATOM 189 O GLU A 14 -10.923 -8.486 1.476 1.00 15.00 O ATOM 190 CB GLU A 14 -10.979 -8.806 4.711 1.00 15.00 C ATOM 191 CG GLU A 14 -9.497 -9.120 4.651 1.00 15.00 C ATOM 192 CD GLU A 14 -9.222 -10.600 4.498 1.00 15.00 C ATOM 193 OE1 GLU A 14 -8.801 -11.023 3.400 1.00 15.00 O ATOM 194 OE2 GLU A 14 -9.414 -11.347 5.477 1.00 15.00 O1- ATOM 0 H GLU A 14 -13.005 -7.410 5.025 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.584 -7.048 3.555 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -11.232 -8.471 5.717 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.545 -9.719 4.528 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -9.049 -8.583 3.815 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -9.015 -8.757 5.559 1.00 15.00 H new ATOM 201 N ASN A 15 -13.008 -8.823 2.251 1.00 15.00 N ATOM 202 CA ASN A 15 -13.486 -9.468 1.032 1.00 15.00 C ATOM 203 C ASN A 15 -13.997 -8.430 0.041 1.00 15.00 C ATOM 204 O ASN A 15 -14.872 -8.708 -0.780 1.00 15.00 O ATOM 205 CB ASN A 15 -14.589 -10.482 1.351 1.00 15.00 C ATOM 206 CG ASN A 15 -14.046 -11.774 1.930 1.00 15.00 C ATOM 207 OD1 ASN A 15 -12.903 -12.157 1.680 1.00 15.00 O ATOM 208 ND2 ASN A 15 -14.871 -12.463 2.701 1.00 15.00 N ATOM 0 H ASN A 15 -13.713 -8.737 2.983 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.648 -9.999 0.580 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -15.291 -10.039 2.057 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -15.148 -10.703 0.442 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -14.567 -13.346 3.112 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -15.811 -12.112 2.884 1.00 15.00 H new ATOM 215 N TYR A 16 -13.452 -7.227 0.134 1.00 15.00 N ATOM 216 CA TYR A 16 -13.832 -6.140 -0.750 1.00 15.00 C ATOM 217 C TYR A 16 -13.237 -6.353 -2.136 1.00 15.00 C ATOM 218 O TYR A 16 -12.014 -6.392 -2.302 1.00 15.00 O ATOM 219 CB TYR A 16 -13.361 -4.802 -0.175 1.00 15.00 C ATOM 220 CG TYR A 16 -13.750 -3.596 -1.004 1.00 15.00 C ATOM 221 CD1 TYR A 16 -15.038 -3.082 -0.956 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.823 -2.969 -1.830 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.395 -1.980 -1.708 1.00 15.00 C ATOM 224 CE2 TYR A 16 -13.172 -1.866 -2.585 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.458 -1.376 -2.521 1.00 15.00 C ATOM 226 OH TYR A 16 -14.810 -0.279 -3.269 1.00 15.00 O ATOM 0 H TYR A 16 -12.739 -6.979 0.820 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.919 -6.124 -0.835 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -13.771 -4.686 0.828 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -12.276 -4.825 -0.075 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.774 -3.552 -0.320 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.814 -3.351 -1.882 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.402 -1.593 -1.660 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.441 -1.390 -3.222 1.00 15.00 H new ATOM 0 HH TYR A 16 -14.035 0.027 -3.786 1.00 15.00 H new ATOM 236 N ASP A 17 -14.105 -6.512 -3.119 1.00 15.00 N ATOM 237 CA ASP A 17 -13.679 -6.718 -4.497 1.00 15.00 C ATOM 238 C ASP A 17 -14.340 -5.692 -5.405 1.00 15.00 C ATOM 239 O ASP A 17 -14.638 -5.964 -6.567 1.00 15.00 O ATOM 240 CB ASP A 17 -14.021 -8.136 -4.962 1.00 15.00 C ATOM 241 CG ASP A 17 -12.924 -8.742 -5.817 1.00 15.00 C ATOM 242 OD1 ASP A 17 -12.367 -9.789 -5.424 1.00 15.00 O ATOM 243 OD2 ASP A 17 -12.603 -8.172 -6.878 1.00 15.00 O1- ATOM 0 H ASP A 17 -15.117 -6.503 -2.990 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.597 -6.592 -4.548 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -14.192 -8.770 -4.092 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -14.951 -8.115 -5.530 1.00 15.00 H new ATOM 248 N GLY A 18 -14.572 -4.507 -4.853 1.00 15.00 N ATOM 249 CA GLY A 18 -15.202 -3.439 -5.607 1.00 15.00 C ATOM 250 C GLY A 18 -14.279 -2.856 -6.658 1.00 15.00 C ATOM 251 O GLY A 18 -13.061 -3.028 -6.589 1.00 15.00 O ATOM 0 H GLY A 18 -14.334 -4.266 -3.891 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -16.103 -3.819 -6.088 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.515 -2.650 -4.923 1.00 15.00 H new ATOM 255 N LYS A 19 -14.854 -2.161 -7.627 1.00 15.00 N ATOM 256 CA LYS A 19 -14.075 -1.558 -8.698 1.00 15.00 C ATOM 257 C LYS A 19 -13.650 -0.143 -8.330 1.00 15.00 C ATOM 258 O LYS A 19 -14.455 0.791 -8.360 1.00 15.00 O ATOM 259 CB LYS A 19 -14.882 -1.535 -9.996 1.00 15.00 C ATOM 260 CG LYS A 19 -14.934 -2.876 -10.711 1.00 15.00 C ATOM 261 CD LYS A 19 -15.809 -2.804 -11.953 1.00 15.00 C ATOM 262 CE LYS A 19 -15.775 -4.104 -12.744 1.00 15.00 C ATOM 263 NZ LYS A 19 -16.306 -5.244 -11.957 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.859 -2.000 -7.694 1.00 15.00 H new ATOM 0 HA LYS A 19 -13.180 -2.163 -8.845 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.899 -1.212 -9.775 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -14.451 -0.792 -10.668 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -13.926 -3.181 -10.991 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -15.321 -3.637 -10.034 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -16.836 -2.582 -11.662 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -15.473 -1.984 -12.587 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -16.360 -3.989 -13.657 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -14.750 -4.318 -13.047 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -16.393 -6.079 -12.571 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -15.657 -5.457 -11.173 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -17.241 -4.997 -11.575 1.00 15.00 H new ATOM 277 N ILE A 20 -12.379 0.005 -7.992 1.00 15.00 N ATOM 278 CA ILE A 20 -11.824 1.297 -7.631 1.00 15.00 C ATOM 279 C ILE A 20 -10.304 1.275 -7.794 1.00 15.00 C ATOM 280 O ILE A 20 -9.624 0.366 -7.308 1.00 15.00 O ATOM 281 CB ILE A 20 -12.219 1.719 -6.191 1.00 15.00 C ATOM 282 CG1 ILE A 20 -11.652 3.106 -5.860 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.751 0.691 -5.170 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.241 3.725 -4.610 1.00 15.00 C ATOM 0 H ILE A 20 -11.708 -0.762 -7.961 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.245 2.042 -8.306 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.307 1.770 -6.142 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.571 3.027 -5.741 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -11.832 3.772 -6.704 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -12.042 1.013 -4.170 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -12.210 -0.273 -5.388 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.666 0.596 -5.220 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -11.791 4.703 -4.442 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.318 3.837 -4.732 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.038 3.081 -3.755 1.00 15.00 H new ATOM 296 N SER A 21 -9.785 2.262 -8.507 1.00 15.00 N ATOM 297 CA SER A 21 -8.357 2.362 -8.762 1.00 15.00 C ATOM 298 C SER A 21 -7.832 3.732 -8.343 1.00 15.00 C ATOM 299 O SER A 21 -6.822 4.215 -8.859 1.00 15.00 O ATOM 300 CB SER A 21 -8.091 2.117 -10.250 1.00 15.00 C ATOM 301 OG SER A 21 -9.234 2.440 -11.030 1.00 15.00 O ATOM 0 H SER A 21 -10.338 3.012 -8.923 1.00 15.00 H new ATOM 0 HA SER A 21 -7.834 1.608 -8.174 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.242 2.718 -10.575 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.821 1.073 -10.408 1.00 15.00 H new ATOM 0 HG SER A 21 -9.040 2.277 -11.977 1.00 15.00 H new ATOM 307 N LYS A 22 -8.527 4.354 -7.401 1.00 15.00 N ATOM 308 CA LYS A 22 -8.138 5.667 -6.904 1.00 15.00 C ATOM 309 C LYS A 22 -8.142 5.677 -5.384 1.00 15.00 C ATOM 310 O LYS A 22 -8.867 4.907 -4.756 1.00 15.00 O ATOM 311 CB LYS A 22 -9.086 6.746 -7.431 1.00 15.00 C ATOM 312 CG LYS A 22 -8.944 7.022 -8.921 1.00 15.00 C ATOM 313 CD LYS A 22 -9.890 8.122 -9.381 1.00 15.00 C ATOM 314 CE LYS A 22 -11.339 7.664 -9.347 1.00 15.00 C ATOM 315 NZ LYS A 22 -12.275 8.786 -9.602 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.365 3.970 -6.965 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.130 5.882 -7.260 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.113 6.445 -7.224 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -8.908 7.671 -6.882 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -7.916 7.310 -9.142 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -9.147 6.109 -9.481 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -9.769 8.997 -8.742 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.628 8.428 -10.394 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -11.492 6.885 -10.094 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.558 7.221 -8.375 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -13.254 8.436 -9.571 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -12.146 9.518 -8.874 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -12.082 9.192 -10.540 1.00 15.00 H new ATOM 329 N THR A 23 -7.323 6.538 -4.801 1.00 15.00 N ATOM 330 CA THR A 23 -7.242 6.650 -3.356 1.00 15.00 C ATOM 331 C THR A 23 -8.203 7.718 -2.837 1.00 15.00 C ATOM 332 O THR A 23 -8.844 8.421 -3.624 1.00 15.00 O ATOM 333 CB THR A 23 -5.809 6.994 -2.920 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.299 8.070 -3.720 1.00 15.00 O ATOM 335 CG2 THR A 23 -4.900 5.782 -3.053 1.00 15.00 C ATOM 0 H THR A 23 -6.704 7.170 -5.309 1.00 15.00 H new ATOM 0 HA THR A 23 -7.524 5.686 -2.932 1.00 15.00 H new ATOM 0 HB THR A 23 -5.832 7.299 -1.874 1.00 15.00 H new ATOM 0 HG1 THR A 23 -4.787 8.684 -3.154 1.00 15.00 H new ATOM 0 HG21 THR A 23 -3.891 6.048 -2.739 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.275 4.975 -2.423 1.00 15.00 H new ATOM 0 HG23 THR A 23 -4.882 5.453 -4.092 1.00 15.00 H new ATOM 343 N MET A 24 -8.289 7.855 -1.515 1.00 15.00 N ATOM 344 CA MET A 24 -9.175 8.849 -0.910 1.00 15.00 C ATOM 345 C MET A 24 -8.700 10.267 -1.217 1.00 15.00 C ATOM 346 O MET A 24 -9.466 11.220 -1.112 1.00 15.00 O ATOM 347 CB MET A 24 -9.275 8.644 0.607 1.00 15.00 C ATOM 348 CG MET A 24 -7.967 8.853 1.359 1.00 15.00 C ATOM 349 SD MET A 24 -7.681 10.568 1.839 1.00 15.00 S ATOM 350 CE MET A 24 -8.975 10.799 3.060 1.00 15.00 C ATOM 0 H MET A 24 -7.760 7.295 -0.846 1.00 15.00 H new ATOM 0 HA MET A 24 -10.165 8.715 -1.345 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.022 9.330 1.005 1.00 15.00 H new ATOM 0 HB3 MET A 24 -9.634 7.633 0.802 1.00 15.00 H new ATOM 0 HG2 MET A 24 -7.967 8.229 2.253 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.140 8.516 0.734 1.00 15.00 H new ATOM 0 HE1 MET A 24 -8.687 11.592 3.750 1.00 15.00 H new ATOM 0 HE2 MET A 24 -9.903 11.074 2.559 1.00 15.00 H new ATOM 0 HE3 MET A 24 -9.122 9.872 3.614 1.00 15.00 H new ATOM 360 N SER A 25 -7.436 10.398 -1.600 1.00 15.00 N ATOM 361 CA SER A 25 -6.864 11.698 -1.919 1.00 15.00 C ATOM 362 C SER A 25 -7.068 12.038 -3.396 1.00 15.00 C ATOM 363 O SER A 25 -6.675 13.108 -3.857 1.00 15.00 O ATOM 364 CB SER A 25 -5.379 11.699 -1.569 1.00 15.00 C ATOM 365 OG SER A 25 -5.159 11.057 -0.320 1.00 15.00 O ATOM 0 H SER A 25 -6.787 9.617 -1.697 1.00 15.00 H new ATOM 0 HA SER A 25 -7.373 12.461 -1.330 1.00 15.00 H new ATOM 0 HB2 SER A 25 -4.815 11.189 -2.350 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.010 12.724 -1.527 1.00 15.00 H new ATOM 0 HG SER A 25 -5.970 11.117 0.226 1.00 15.00 H new ATOM 371 N GLY A 26 -7.691 11.123 -4.133 1.00 15.00 N ATOM 372 CA GLY A 26 -7.937 11.346 -5.547 1.00 15.00 C ATOM 373 C GLY A 26 -6.715 11.075 -6.399 1.00 15.00 C ATOM 374 O GLY A 26 -6.610 11.564 -7.522 1.00 15.00 O ATOM 0 H GLY A 26 -8.030 10.230 -3.776 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -8.754 10.704 -5.876 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.260 12.376 -5.698 1.00 15.00 H new ATOM 378 N LEU A 27 -5.791 10.291 -5.865 1.00 15.00 N ATOM 379 CA LEU A 27 -4.570 9.959 -6.586 1.00 15.00 C ATOM 380 C LEU A 27 -4.719 8.615 -7.288 1.00 15.00 C ATOM 381 O LEU A 27 -5.524 7.775 -6.869 1.00 15.00 O ATOM 382 CB LEU A 27 -3.378 9.928 -5.628 1.00 15.00 C ATOM 383 CG LEU A 27 -3.130 11.222 -4.853 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.054 11.014 -3.802 1.00 15.00 C ATOM 385 CD2 LEU A 27 -2.729 12.341 -5.798 1.00 15.00 C ATOM 0 H LEU A 27 -5.862 9.873 -4.937 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.391 10.727 -7.338 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.528 9.119 -4.913 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.481 9.687 -6.198 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.057 11.504 -4.353 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -1.890 11.945 -3.260 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.372 10.239 -3.104 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.127 10.708 -4.286 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.557 13.254 -5.228 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -1.815 12.063 -6.324 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.527 12.510 -6.521 1.00 15.00 H new ATOM 397 N GLU A 28 -3.948 8.420 -8.350 1.00 15.00 N ATOM 398 CA GLU A 28 -3.996 7.184 -9.121 1.00 15.00 C ATOM 399 C GLU A 28 -3.317 6.042 -8.373 1.00 15.00 C ATOM 400 O GLU A 28 -2.303 6.235 -7.700 1.00 15.00 O ATOM 401 CB GLU A 28 -3.331 7.379 -10.489 1.00 15.00 C ATOM 402 CG GLU A 28 -3.876 8.556 -11.276 1.00 15.00 C ATOM 403 CD GLU A 28 -3.480 8.500 -12.737 1.00 15.00 C ATOM 404 OE1 GLU A 28 -4.382 8.506 -13.603 1.00 15.00 O ATOM 405 OE2 GLU A 28 -2.266 8.444 -13.031 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.278 9.106 -8.699 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.044 6.924 -9.268 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.259 7.516 -10.345 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.460 6.470 -11.077 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -4.963 8.572 -11.196 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -3.510 9.485 -10.838 1.00 15.00 H new ATOM 412 N CYS A 29 -3.896 4.855 -8.485 1.00 15.00 N ATOM 413 CA CYS A 29 -3.355 3.677 -7.831 1.00 15.00 C ATOM 414 C CYS A 29 -2.388 2.941 -8.754 1.00 15.00 C ATOM 415 O CYS A 29 -2.638 2.802 -9.954 1.00 15.00 O ATOM 416 CB CYS A 29 -4.485 2.732 -7.403 1.00 15.00 C ATOM 417 SG CYS A 29 -3.919 1.158 -6.719 1.00 15.00 S ATOM 0 H CYS A 29 -4.744 4.684 -9.026 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.812 4.005 -6.945 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -5.103 3.236 -6.660 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.122 2.532 -8.265 1.00 15.00 H new ATOM 0 HG CYS A 29 -2.912 0.719 -7.415 1.00 15.00 H new ATOM 423 N GLN A 30 -1.287 2.484 -8.182 1.00 15.00 N ATOM 424 CA GLN A 30 -0.281 1.739 -8.920 1.00 15.00 C ATOM 425 C GLN A 30 -0.677 0.270 -8.956 1.00 15.00 C ATOM 426 O GLN A 30 -1.285 -0.230 -8.009 1.00 15.00 O ATOM 427 CB GLN A 30 1.093 1.897 -8.255 1.00 15.00 C ATOM 428 CG GLN A 30 2.201 1.113 -8.940 1.00 15.00 C ATOM 429 CD GLN A 30 3.526 1.198 -8.209 1.00 15.00 C ATOM 430 OE1 GLN A 30 3.846 2.206 -7.589 1.00 15.00 O ATOM 431 NE2 GLN A 30 4.301 0.128 -8.263 1.00 15.00 N ATOM 0 H GLN A 30 -1.066 2.618 -7.195 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.218 2.126 -9.937 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.362 2.953 -8.244 1.00 15.00 H new ATOM 0 HB3 GLN A 30 1.022 1.575 -7.216 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.903 0.068 -9.020 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.328 1.487 -9.956 1.00 15.00 H new ATOM 0 HE21 GLN A 30 4.001 -0.693 -8.789 1.00 15.00 H new ATOM 0 HE22 GLN A 30 5.199 0.123 -7.779 1.00 15.00 H new ATOM 440 N ALA A 31 -0.360 -0.412 -10.046 1.00 15.00 N ATOM 441 CA ALA A 31 -0.691 -1.823 -10.173 1.00 15.00 C ATOM 442 C ALA A 31 0.194 -2.662 -9.260 1.00 15.00 C ATOM 443 O ALA A 31 1.377 -2.362 -9.086 1.00 15.00 O ATOM 444 CB ALA A 31 -0.564 -2.279 -11.618 1.00 15.00 C ATOM 0 H ALA A 31 0.123 -0.014 -10.851 1.00 15.00 H new ATOM 0 HA ALA A 31 -1.728 -1.962 -9.866 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -0.816 -3.337 -11.689 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.245 -1.701 -12.243 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.460 -2.126 -11.959 1.00 15.00 H new ATOM 450 N TRP A 32 -0.381 -3.706 -8.683 1.00 15.00 N ATOM 451 CA TRP A 32 0.355 -4.582 -7.775 1.00 15.00 C ATOM 452 C TRP A 32 1.455 -5.335 -8.518 1.00 15.00 C ATOM 453 O TRP A 32 2.447 -5.756 -7.926 1.00 15.00 O ATOM 454 CB TRP A 32 -0.596 -5.575 -7.096 1.00 15.00 C ATOM 455 CG TRP A 32 -1.702 -4.914 -6.322 1.00 15.00 C ATOM 456 CD1 TRP A 32 -2.914 -4.512 -6.805 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.697 -4.581 -4.926 1.00 15.00 C ATOM 458 NE1 TRP A 32 -3.661 -3.952 -5.799 1.00 15.00 N ATOM 459 CE2 TRP A 32 -2.938 -3.984 -4.636 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.765 -4.732 -3.893 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -3.272 -3.539 -3.359 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -1.099 -4.289 -2.627 1.00 15.00 C ATOM 463 CH2 TRP A 32 -2.343 -3.699 -2.370 1.00 15.00 C ATOM 0 H TRP A 32 -1.356 -3.970 -8.826 1.00 15.00 H new ATOM 0 HA TRP A 32 0.819 -3.960 -7.010 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.032 -6.224 -7.855 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.023 -6.212 -6.423 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.238 -4.619 -7.830 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.603 -3.573 -5.901 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.197 -5.186 -4.081 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -4.231 -3.084 -3.158 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 -0.388 -4.400 -1.822 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -2.573 -3.364 -1.369 1.00 15.00 H new ATOM 474 N ASP A 33 1.272 -5.497 -9.822 1.00 15.00 N ATOM 475 CA ASP A 33 2.242 -6.193 -10.655 1.00 15.00 C ATOM 476 C ASP A 33 3.059 -5.203 -11.487 1.00 15.00 C ATOM 477 O ASP A 33 3.752 -5.591 -12.429 1.00 15.00 O ATOM 478 CB ASP A 33 1.534 -7.209 -11.566 1.00 15.00 C ATOM 479 CG ASP A 33 0.820 -6.572 -12.742 1.00 15.00 C ATOM 480 OD1 ASP A 33 0.861 -7.152 -13.849 1.00 15.00 O ATOM 481 OD2 ASP A 33 0.204 -5.501 -12.571 1.00 15.00 O1- ATOM 0 H ASP A 33 0.455 -5.153 -10.327 1.00 15.00 H new ATOM 0 HA ASP A 33 2.929 -6.731 -10.001 1.00 15.00 H new ATOM 0 HB2 ASP A 33 2.268 -7.923 -11.940 1.00 15.00 H new ATOM 0 HB3 ASP A 33 0.812 -7.774 -10.975 1.00 15.00 H new ATOM 486 N SER A 34 2.975 -3.926 -11.129 1.00 15.00 N ATOM 487 CA SER A 34 3.702 -2.878 -11.838 1.00 15.00 C ATOM 488 C SER A 34 5.201 -2.975 -11.570 1.00 15.00 C ATOM 489 O SER A 34 5.638 -3.674 -10.654 1.00 15.00 O ATOM 490 CB SER A 34 3.191 -1.499 -11.412 1.00 15.00 C ATOM 491 OG SER A 34 3.802 -0.467 -12.164 1.00 15.00 O ATOM 0 H SER A 34 2.409 -3.591 -10.350 1.00 15.00 H new ATOM 0 HA SER A 34 3.531 -3.013 -12.906 1.00 15.00 H new ATOM 0 HB2 SER A 34 2.110 -1.454 -11.541 1.00 15.00 H new ATOM 0 HB3 SER A 34 3.392 -1.346 -10.352 1.00 15.00 H new ATOM 0 HG SER A 34 3.455 0.401 -11.871 1.00 15.00 H new ATOM 497 N GLN A 35 5.985 -2.259 -12.367 1.00 15.00 N ATOM 498 CA GLN A 35 7.429 -2.262 -12.215 1.00 15.00 C ATOM 499 C GLN A 35 7.957 -0.845 -11.995 1.00 15.00 C ATOM 500 O GLN A 35 9.148 -0.580 -12.164 1.00 15.00 O ATOM 501 CB GLN A 35 8.103 -2.927 -13.422 1.00 15.00 C ATOM 502 CG GLN A 35 9.568 -3.299 -13.194 1.00 15.00 C ATOM 503 CD GLN A 35 9.809 -4.093 -11.920 1.00 15.00 C ATOM 504 OE1 GLN A 35 10.847 -3.950 -11.274 1.00 15.00 O ATOM 505 NE2 GLN A 35 8.862 -4.943 -11.552 1.00 15.00 N ATOM 0 H GLN A 35 5.641 -1.669 -13.125 1.00 15.00 H new ATOM 0 HA GLN A 35 7.677 -2.849 -11.331 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.547 -3.827 -13.684 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.039 -2.253 -14.277 1.00 15.00 H new ATOM 0 HG2 GLN A 35 9.922 -3.880 -14.045 1.00 15.00 H new ATOM 0 HG3 GLN A 35 10.164 -2.387 -13.161 1.00 15.00 H new ATOM 0 HE21 GLN A 35 8.014 -5.036 -12.112 1.00 15.00 H new ATOM 0 HE22 GLN A 35 8.981 -5.505 -10.709 1.00 15.00 H new ATOM 514 N SER A 36 7.068 0.076 -11.622 1.00 15.00 N ATOM 515 CA SER A 36 7.489 1.436 -11.323 1.00 15.00 C ATOM 516 C SER A 36 8.351 1.340 -10.076 1.00 15.00 C ATOM 517 O SER A 36 8.066 0.511 -9.206 1.00 15.00 O ATOM 518 CB SER A 36 6.272 2.336 -11.099 1.00 15.00 C ATOM 519 OG SER A 36 5.360 2.226 -12.181 1.00 15.00 O ATOM 0 H SER A 36 6.067 -0.095 -11.522 1.00 15.00 H new ATOM 0 HA SER A 36 8.048 1.879 -12.147 1.00 15.00 H new ATOM 0 HB2 SER A 36 5.775 2.059 -10.169 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.594 3.372 -10.993 1.00 15.00 H new ATOM 0 HG SER A 36 4.588 2.807 -12.019 1.00 15.00 H new ATOM 525 N PRO A 37 9.409 2.146 -9.928 1.00 15.00 N ATOM 526 CA PRO A 37 10.277 1.960 -8.784 1.00 15.00 C ATOM 527 C PRO A 37 9.710 2.488 -7.477 1.00 15.00 C ATOM 528 O PRO A 37 9.760 3.683 -7.171 1.00 15.00 O ATOM 529 CB PRO A 37 11.536 2.755 -9.167 1.00 15.00 C ATOM 530 CG PRO A 37 11.287 3.347 -10.525 1.00 15.00 C ATOM 531 CD PRO A 37 9.815 3.251 -10.791 1.00 15.00 C ATOM 0 HA PRO A 37 10.441 0.900 -8.593 1.00 15.00 H new ATOM 0 HB2 PRO A 37 11.734 3.538 -8.436 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.411 2.106 -9.184 1.00 15.00 H new ATOM 0 HG2 PRO A 37 11.616 4.386 -10.558 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.851 2.810 -11.288 1.00 15.00 H new ATOM 0 HD2 PRO A 37 9.296 4.175 -10.538 1.00 15.00 H new ATOM 0 HD3 PRO A 37 9.605 3.045 -11.840 1.00 15.00 H new ATOM 539 N HIS A 38 9.164 1.552 -6.726 1.00 15.00 N ATOM 540 CA HIS A 38 8.662 1.780 -5.393 1.00 15.00 C ATOM 541 C HIS A 38 9.353 0.806 -4.453 1.00 15.00 C ATOM 542 O HIS A 38 9.940 -0.172 -4.921 1.00 15.00 O ATOM 543 CB HIS A 38 7.141 1.662 -5.332 1.00 15.00 C ATOM 544 CG HIS A 38 6.487 2.984 -5.060 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.297 3.393 -5.619 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.900 4.011 -4.273 1.00 15.00 C ATOM 547 CE1 HIS A 38 5.032 4.626 -5.167 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.975 5.044 -4.346 1.00 15.00 N ATOM 0 H HIS A 38 9.056 0.587 -7.038 1.00 15.00 H new ATOM 0 HA HIS A 38 8.887 2.801 -5.084 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.770 1.261 -6.275 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.863 0.952 -4.553 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.719 2.853 -6.263 1.00 15.00 H new ATOM 0 HD2 HIS A 38 7.805 4.022 -3.684 1.00 15.00 H new ATOM 0 HE1 HIS A 38 4.160 5.202 -5.440 1.00 15.00 H new ATOM 556 N ALA A 39 9.298 1.031 -3.156 1.00 15.00 N ATOM 557 CA ALA A 39 9.901 0.078 -2.239 1.00 15.00 C ATOM 558 C ALA A 39 8.810 -0.810 -1.646 1.00 15.00 C ATOM 559 O ALA A 39 7.979 -0.339 -0.867 1.00 15.00 O ATOM 560 CB ALA A 39 10.665 0.800 -1.138 1.00 15.00 C ATOM 0 H ALA A 39 8.856 1.840 -2.720 1.00 15.00 H new ATOM 0 HA ALA A 39 10.612 -0.543 -2.784 1.00 15.00 H new ATOM 0 HB1 ALA A 39 11.108 0.068 -0.463 1.00 15.00 H new ATOM 0 HB2 ALA A 39 11.453 1.409 -1.581 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.981 1.441 -0.581 1.00 15.00 H new ATOM 566 N HIS A 40 8.829 -2.093 -1.998 1.00 15.00 N ATOM 567 CA HIS A 40 7.834 -3.045 -1.507 1.00 15.00 C ATOM 568 C HIS A 40 8.213 -4.480 -1.871 1.00 15.00 C ATOM 569 O HIS A 40 9.262 -4.720 -2.469 1.00 15.00 O ATOM 570 CB HIS A 40 6.430 -2.717 -2.057 1.00 15.00 C ATOM 571 CG HIS A 40 6.332 -2.655 -3.559 1.00 15.00 C ATOM 572 ND1 HIS A 40 6.124 -1.461 -4.214 1.00 15.00 N ATOM 573 CD2 HIS A 40 6.400 -3.654 -4.476 1.00 15.00 C ATOM 574 CE1 HIS A 40 6.072 -1.758 -5.501 1.00 15.00 C ATOM 575 NE2 HIS A 40 6.233 -3.072 -5.704 1.00 15.00 N ATOM 0 H HIS A 40 9.525 -2.499 -2.624 1.00 15.00 H new ATOM 0 HA HIS A 40 7.812 -2.957 -0.421 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.729 -3.468 -1.693 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.111 -1.759 -1.647 1.00 15.00 H new ATOM 0 HD2 HIS A 40 6.556 -4.704 -4.276 1.00 15.00 H new ATOM 0 HE1 HIS A 40 5.919 -1.034 -6.288 1.00 15.00 H new ATOM 0 HE2 HIS A 40 6.231 -3.550 -6.605 1.00 15.00 H new ATOM 583 N GLY A 41 7.346 -5.424 -1.515 1.00 15.00 N ATOM 584 CA GLY A 41 7.594 -6.823 -1.821 1.00 15.00 C ATOM 585 C GLY A 41 6.305 -7.612 -1.935 1.00 15.00 C ATOM 586 O GLY A 41 6.243 -8.786 -1.560 1.00 15.00 O ATOM 0 H GLY A 41 6.473 -5.244 -1.018 1.00 15.00 H new ATOM 0 HA2 GLY A 41 8.149 -6.898 -2.756 1.00 15.00 H new ATOM 0 HA3 GLY A 41 8.220 -7.260 -1.043 1.00 15.00 H new ATOM 590 N TYR A 42 5.271 -6.970 -2.459 1.00 15.00 N ATOM 591 CA TYR A 42 3.973 -7.611 -2.605 1.00 15.00 C ATOM 592 C TYR A 42 3.696 -7.943 -4.061 1.00 15.00 C ATOM 593 O TYR A 42 3.533 -7.053 -4.890 1.00 15.00 O ATOM 594 CB TYR A 42 2.867 -6.707 -2.056 1.00 15.00 C ATOM 595 CG TYR A 42 3.159 -6.161 -0.675 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.576 -4.847 -0.503 1.00 15.00 C ATOM 597 CD2 TYR A 42 3.021 -6.958 0.453 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.848 -4.342 0.752 1.00 15.00 C ATOM 599 CE2 TYR A 42 3.290 -6.459 1.712 1.00 15.00 C ATOM 600 CZ TYR A 42 3.703 -5.152 1.854 1.00 15.00 C ATOM 601 OH TYR A 42 3.969 -4.653 3.105 1.00 15.00 O ATOM 0 H TYR A 42 5.306 -6.006 -2.790 1.00 15.00 H new ATOM 0 HA TYR A 42 3.988 -8.540 -2.034 1.00 15.00 H new ATOM 0 HB2 TYR A 42 2.716 -5.874 -2.742 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.933 -7.268 -2.026 1.00 15.00 H new ATOM 0 HD1 TYR A 42 3.689 -4.209 -1.367 1.00 15.00 H new ATOM 0 HD2 TYR A 42 2.699 -7.983 0.344 1.00 15.00 H new ATOM 0 HE1 TYR A 42 4.172 -3.318 0.868 1.00 15.00 H new ATOM 0 HE2 TYR A 42 3.177 -7.090 2.581 1.00 15.00 H new ATOM 0 HH TYR A 42 4.933 -4.507 3.201 1.00 15.00 H new ATOM 611 N ILE A 43 3.659 -9.230 -4.361 1.00 15.00 N ATOM 612 CA ILE A 43 3.398 -9.703 -5.713 1.00 15.00 C ATOM 613 C ILE A 43 2.096 -10.500 -5.731 1.00 15.00 C ATOM 614 O ILE A 43 1.848 -11.286 -4.818 1.00 15.00 O ATOM 615 CB ILE A 43 4.560 -10.600 -6.223 1.00 15.00 C ATOM 616 CG1 ILE A 43 5.918 -9.914 -6.011 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.371 -10.956 -7.693 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.093 -8.639 -6.811 1.00 15.00 C ATOM 0 H ILE A 43 3.808 -9.974 -3.680 1.00 15.00 H new ATOM 0 HA ILE A 43 3.315 -8.838 -6.371 1.00 15.00 H new ATOM 0 HB ILE A 43 4.546 -11.522 -5.642 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.038 -9.686 -4.952 1.00 15.00 H new ATOM 0 HG13 ILE A 43 6.712 -10.611 -6.279 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.198 -11.584 -8.024 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.432 -11.496 -7.819 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.347 -10.043 -8.288 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.076 -8.214 -6.608 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.007 -8.862 -7.874 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.322 -7.923 -6.527 1.00 15.00 H new ATOM 630 N PRO A 44 1.233 -10.286 -6.743 1.00 15.00 N ATOM 631 CA PRO A 44 -0.044 -11.008 -6.869 1.00 15.00 C ATOM 632 C PRO A 44 0.117 -12.526 -6.752 1.00 15.00 C ATOM 633 O PRO A 44 -0.753 -13.213 -6.221 1.00 15.00 O ATOM 634 CB PRO A 44 -0.518 -10.632 -8.272 1.00 15.00 C ATOM 635 CG PRO A 44 0.093 -9.304 -8.543 1.00 15.00 C ATOM 636 CD PRO A 44 1.414 -9.295 -7.823 1.00 15.00 C ATOM 0 HA PRO A 44 -0.740 -10.740 -6.074 1.00 15.00 H new ATOM 0 HB2 PRO A 44 -0.199 -11.371 -9.007 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.606 -10.583 -8.321 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.232 -9.151 -9.613 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.550 -8.499 -8.186 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.233 -9.572 -8.487 1.00 15.00 H new ATOM 0 HD3 PRO A 44 1.646 -8.307 -7.425 1.00 15.00 H new ATOM 644 N SER A 45 1.244 -13.040 -7.234 1.00 15.00 N ATOM 645 CA SER A 45 1.526 -14.468 -7.185 1.00 15.00 C ATOM 646 C SER A 45 1.740 -14.937 -5.745 1.00 15.00 C ATOM 647 O SER A 45 1.572 -16.117 -5.435 1.00 15.00 O ATOM 648 CB SER A 45 2.761 -14.766 -8.030 1.00 15.00 C ATOM 649 OG SER A 45 2.753 -13.983 -9.217 1.00 15.00 O ATOM 0 H SER A 45 1.981 -12.483 -7.666 1.00 15.00 H new ATOM 0 HA SER A 45 0.670 -15.010 -7.586 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.662 -14.555 -7.454 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.787 -15.825 -8.286 1.00 15.00 H new ATOM 0 HG SER A 45 3.552 -14.184 -9.747 1.00 15.00 H new ATOM 655 N LYS A 46 2.102 -14.004 -4.870 1.00 15.00 N ATOM 656 CA LYS A 46 2.339 -14.310 -3.465 1.00 15.00 C ATOM 657 C LYS A 46 1.054 -14.155 -2.662 1.00 15.00 C ATOM 658 O LYS A 46 0.975 -14.578 -1.508 1.00 15.00 O ATOM 659 CB LYS A 46 3.420 -13.390 -2.889 1.00 15.00 C ATOM 660 CG LYS A 46 4.829 -13.732 -3.347 1.00 15.00 C ATOM 661 CD LYS A 46 5.825 -12.635 -2.992 1.00 15.00 C ATOM 662 CE LYS A 46 5.866 -12.370 -1.492 1.00 15.00 C ATOM 663 NZ LYS A 46 6.944 -11.413 -1.124 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.238 -13.023 -5.113 1.00 15.00 H new ATOM 0 HA LYS A 46 2.679 -15.343 -3.396 1.00 15.00 H new ATOM 0 HB2 LYS A 46 3.196 -12.361 -3.172 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.381 -13.437 -1.801 1.00 15.00 H new ATOM 0 HG2 LYS A 46 5.142 -14.669 -2.887 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.832 -13.889 -4.426 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.818 -12.921 -3.338 1.00 15.00 H new ATOM 0 HD3 LYS A 46 5.557 -11.717 -3.516 1.00 15.00 H new ATOM 0 HE2 LYS A 46 4.904 -11.974 -1.167 1.00 15.00 H new ATOM 0 HE3 LYS A 46 6.019 -13.310 -0.962 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 6.959 -11.287 -0.092 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.862 -11.786 -1.440 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 6.766 -10.497 -1.582 1.00 15.00 H new ATOM 677 N PHE A 47 0.051 -13.539 -3.278 1.00 15.00 N ATOM 678 CA PHE A 47 -1.237 -13.322 -2.629 1.00 15.00 C ATOM 679 C PHE A 47 -2.393 -13.635 -3.585 1.00 15.00 C ATOM 680 O PHE A 47 -3.215 -12.764 -3.884 1.00 15.00 O ATOM 681 CB PHE A 47 -1.346 -11.872 -2.143 1.00 15.00 C ATOM 682 CG PHE A 47 -0.480 -11.558 -0.953 1.00 15.00 C ATOM 683 CD1 PHE A 47 -0.857 -11.960 0.317 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.712 -10.863 -1.106 1.00 15.00 C ATOM 685 CE1 PHE A 47 -0.065 -11.676 1.414 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.508 -10.575 -0.011 1.00 15.00 C ATOM 687 CZ PHE A 47 1.118 -10.982 1.250 1.00 15.00 C ATOM 0 H PHE A 47 0.106 -13.179 -4.231 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.302 -13.996 -1.775 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.077 -11.204 -2.961 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.385 -11.662 -1.889 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -1.781 -12.502 0.452 1.00 15.00 H new ATOM 0 HD2 PHE A 47 1.022 -10.544 -2.090 1.00 15.00 H new ATOM 0 HE1 PHE A 47 -0.371 -11.997 2.399 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.433 -10.033 -0.142 1.00 15.00 H new ATOM 0 HZ PHE A 47 1.737 -10.758 2.106 1.00 15.00 H new ATOM 697 N PRO A 48 -2.489 -14.887 -4.070 1.00 15.00 N ATOM 698 CA PRO A 48 -3.549 -15.286 -4.996 1.00 15.00 C ATOM 699 C PRO A 48 -4.867 -15.530 -4.271 1.00 15.00 C ATOM 700 O PRO A 48 -5.925 -15.655 -4.887 1.00 15.00 O ATOM 701 CB PRO A 48 -3.013 -16.582 -5.593 1.00 15.00 C ATOM 702 CG PRO A 48 -2.161 -17.170 -4.527 1.00 15.00 C ATOM 703 CD PRO A 48 -1.587 -16.015 -3.753 1.00 15.00 C ATOM 0 HA PRO A 48 -3.768 -14.520 -5.740 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -3.825 -17.256 -5.867 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.437 -16.391 -6.499 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -2.747 -17.820 -3.877 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.368 -17.781 -4.957 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -1.568 -16.222 -2.683 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.561 -15.803 -4.055 1.00 15.00 H new ATOM 711 N ASN A 49 -4.789 -15.578 -2.949 1.00 15.00 N ATOM 712 CA ASN A 49 -5.958 -15.803 -2.112 1.00 15.00 C ATOM 713 C ASN A 49 -6.614 -14.478 -1.741 1.00 15.00 C ATOM 714 O ASN A 49 -7.697 -14.452 -1.157 1.00 15.00 O ATOM 715 CB ASN A 49 -5.568 -16.583 -0.848 1.00 15.00 C ATOM 716 CG ASN A 49 -4.632 -15.817 0.076 1.00 15.00 C ATOM 717 OD1 ASN A 49 -3.911 -14.910 -0.347 1.00 15.00 O ATOM 718 ND2 ASN A 49 -4.627 -16.195 1.346 1.00 15.00 N ATOM 0 H ASN A 49 -3.919 -15.463 -2.429 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.678 -16.396 -2.676 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -6.473 -16.845 -0.299 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.091 -17.518 -1.141 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -4.011 -15.731 2.014 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -5.239 -16.950 1.656 1.00 15.00 H new ATOM 725 N LYS A 50 -5.954 -13.379 -2.090 1.00 15.00 N ATOM 726 CA LYS A 50 -6.472 -12.046 -1.804 1.00 15.00 C ATOM 727 C LYS A 50 -6.972 -11.387 -3.084 1.00 15.00 C ATOM 728 O LYS A 50 -7.397 -10.232 -3.076 1.00 15.00 O ATOM 729 CB LYS A 50 -5.393 -11.174 -1.155 1.00 15.00 C ATOM 730 CG LYS A 50 -4.906 -11.690 0.189 1.00 15.00 C ATOM 731 CD LYS A 50 -6.035 -11.768 1.201 1.00 15.00 C ATOM 732 CE LYS A 50 -5.554 -12.324 2.530 1.00 15.00 C ATOM 733 NZ LYS A 50 -6.684 -12.623 3.451 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.056 -13.385 -2.573 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.304 -12.146 -1.107 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.543 -11.100 -1.834 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -5.785 -10.165 -1.025 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -4.463 -12.677 0.061 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.122 -11.035 0.568 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -6.458 -10.775 1.353 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -6.833 -12.398 0.809 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -4.978 -13.233 2.356 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -4.882 -11.607 3.001 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -6.420 -12.359 4.422 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -7.522 -12.080 3.160 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -6.901 -13.639 3.416 1.00 15.00 H new ATOM 747 N ASN A 51 -6.907 -12.141 -4.179 1.00 15.00 N ATOM 748 CA ASN A 51 -7.349 -11.674 -5.495 1.00 15.00 C ATOM 749 C ASN A 51 -6.679 -10.355 -5.886 1.00 15.00 C ATOM 750 O ASN A 51 -7.349 -9.366 -6.198 1.00 15.00 O ATOM 751 CB ASN A 51 -8.878 -11.530 -5.540 1.00 15.00 C ATOM 752 CG ASN A 51 -9.410 -11.503 -6.962 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.785 -12.036 -7.879 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.576 -10.902 -7.158 1.00 15.00 N ATOM 0 H ASN A 51 -6.546 -13.095 -4.181 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.046 -12.428 -6.222 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.335 -12.358 -4.998 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.170 -10.614 -5.027 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.983 -10.871 -8.093 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -11.066 -10.471 -6.374 1.00 15.00 H new ATOM 761 N LEU A 52 -5.353 -10.342 -5.863 1.00 15.00 N ATOM 762 CA LEU A 52 -4.598 -9.153 -6.236 1.00 15.00 C ATOM 763 C LEU A 52 -4.429 -9.113 -7.748 1.00 15.00 C ATOM 764 O LEU A 52 -3.692 -9.920 -8.315 1.00 15.00 O ATOM 765 CB LEU A 52 -3.221 -9.164 -5.561 1.00 15.00 C ATOM 766 CG LEU A 52 -3.045 -8.184 -4.398 1.00 15.00 C ATOM 767 CD1 LEU A 52 -3.996 -8.519 -3.262 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.605 -8.204 -3.903 1.00 15.00 C ATOM 0 H LEU A 52 -4.779 -11.140 -5.591 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.143 -8.268 -5.906 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -3.024 -10.172 -5.196 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.465 -8.944 -6.315 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.280 -7.182 -4.757 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.853 -7.810 -2.447 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -5.024 -8.460 -3.619 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.794 -9.529 -2.904 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.495 -7.502 -3.076 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.351 -9.208 -3.563 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -0.937 -7.916 -4.715 1.00 15.00 H new ATOM 780 N LYS A 53 -5.106 -8.173 -8.396 1.00 15.00 N ATOM 781 CA LYS A 53 -5.044 -8.040 -9.847 1.00 15.00 C ATOM 782 C LYS A 53 -5.064 -6.571 -10.258 1.00 15.00 C ATOM 783 O LYS A 53 -5.743 -5.755 -9.631 1.00 15.00 O ATOM 784 CB LYS A 53 -6.230 -8.762 -10.515 1.00 15.00 C ATOM 785 CG LYS A 53 -6.378 -10.232 -10.135 1.00 15.00 C ATOM 786 CD LYS A 53 -5.260 -11.079 -10.720 1.00 15.00 C ATOM 787 CE LYS A 53 -5.158 -12.421 -10.019 1.00 15.00 C ATOM 788 NZ LYS A 53 -3.963 -13.192 -10.455 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.707 -7.488 -7.937 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.111 -8.496 -10.177 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.150 -8.239 -10.254 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.119 -8.690 -11.597 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -6.378 -10.329 -9.049 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.340 -10.604 -10.488 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.438 -11.235 -11.784 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.313 -10.547 -10.630 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -5.114 -12.264 -8.941 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -6.057 -13.003 -10.220 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -3.934 -14.101 -9.951 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.016 -13.366 -11.479 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -3.102 -12.649 -10.240 1.00 15.00 H new ATOM 802 N LYS A 54 -4.312 -6.257 -11.310 1.00 15.00 N ATOM 803 CA LYS A 54 -4.234 -4.900 -11.854 1.00 15.00 C ATOM 804 C LYS A 54 -3.874 -3.875 -10.774 1.00 15.00 C ATOM 805 O LYS A 54 -2.988 -4.108 -9.949 1.00 15.00 O ATOM 806 CB LYS A 54 -5.565 -4.525 -12.527 1.00 15.00 C ATOM 807 CG LYS A 54 -6.020 -5.511 -13.596 1.00 15.00 C ATOM 808 CD LYS A 54 -5.148 -5.438 -14.839 1.00 15.00 C ATOM 809 CE LYS A 54 -5.625 -6.409 -15.907 1.00 15.00 C ATOM 810 NZ LYS A 54 -4.848 -6.271 -17.167 1.00 15.00 N1+ ATOM 0 H LYS A 54 -3.738 -6.935 -11.811 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.438 -4.884 -12.598 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.339 -4.452 -11.763 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.467 -3.537 -12.977 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -5.993 -6.523 -13.192 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.055 -5.303 -13.866 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.161 -4.423 -15.236 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.115 -5.664 -14.575 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.536 -7.430 -15.535 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -6.681 -6.235 -16.111 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.203 -6.950 -17.870 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.953 -5.304 -17.535 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -3.843 -6.462 -16.978 1.00 15.00 H new ATOM 824 N ASN A 55 -4.567 -2.741 -10.790 1.00 15.00 N ATOM 825 CA ASN A 55 -4.330 -1.667 -9.832 1.00 15.00 C ATOM 826 C ASN A 55 -5.598 -1.353 -9.042 1.00 15.00 C ATOM 827 O ASN A 55 -5.976 -0.193 -8.878 1.00 15.00 O ATOM 828 CB ASN A 55 -3.821 -0.407 -10.556 1.00 15.00 C ATOM 829 CG ASN A 55 -4.825 0.173 -11.542 1.00 15.00 C ATOM 830 OD1 ASN A 55 -5.593 -0.552 -12.182 1.00 15.00 O ATOM 831 ND2 ASN A 55 -4.816 1.490 -11.680 1.00 15.00 N ATOM 0 H ASN A 55 -5.306 -2.541 -11.464 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.566 -1.999 -9.129 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.571 0.352 -9.815 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -2.900 -0.649 -11.087 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.459 1.939 -12.333 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.167 2.056 -11.133 1.00 15.00 H new ATOM 838 N TYR A 56 -6.257 -2.393 -8.555 1.00 15.00 N ATOM 839 CA TYR A 56 -7.477 -2.211 -7.782 1.00 15.00 C ATOM 840 C TYR A 56 -7.175 -2.248 -6.289 1.00 15.00 C ATOM 841 O TYR A 56 -6.287 -2.979 -5.846 1.00 15.00 O ATOM 842 CB TYR A 56 -8.507 -3.281 -8.147 1.00 15.00 C ATOM 843 CG TYR A 56 -8.818 -3.331 -9.630 1.00 15.00 C ATOM 844 CD1 TYR A 56 -8.804 -4.535 -10.322 1.00 15.00 C ATOM 845 CD2 TYR A 56 -9.116 -2.172 -10.339 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.077 -4.583 -11.678 1.00 15.00 C ATOM 847 CE2 TYR A 56 -9.391 -2.211 -11.691 1.00 15.00 C ATOM 848 CZ TYR A 56 -9.370 -3.417 -12.357 1.00 15.00 C ATOM 849 OH TYR A 56 -9.639 -3.455 -13.708 1.00 15.00 O ATOM 0 H TYR A 56 -5.971 -3.364 -8.679 1.00 15.00 H new ATOM 0 HA TYR A 56 -7.895 -1.234 -8.024 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -8.138 -4.255 -7.827 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.428 -3.092 -7.596 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.576 -5.449 -9.793 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -9.133 -1.224 -9.822 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.061 -5.527 -12.202 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -9.622 -1.301 -12.224 1.00 15.00 H new ATOM 0 HH TYR A 56 -9.826 -2.548 -14.030 1.00 15.00 H new ATOM 859 N CYS A 57 -7.910 -1.450 -5.524 1.00 15.00 N ATOM 860 CA CYS A 57 -7.731 -1.388 -4.079 1.00 15.00 C ATOM 861 C CYS A 57 -8.052 -2.737 -3.441 1.00 15.00 C ATOM 862 O CYS A 57 -9.088 -3.341 -3.735 1.00 15.00 O ATOM 863 CB CYS A 57 -8.632 -0.300 -3.491 1.00 15.00 C ATOM 864 SG CYS A 57 -8.363 0.031 -1.734 1.00 15.00 S ATOM 0 H CYS A 57 -8.639 -0.834 -5.883 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.690 -1.145 -3.865 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.476 0.623 -4.049 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.673 -0.590 -3.638 1.00 15.00 H new ATOM 0 HG CYS A 57 -7.218 -0.466 -1.369 1.00 15.00 H new ATOM 870 N ARG A 58 -7.154 -3.207 -2.582 1.00 15.00 N ATOM 871 CA ARG A 58 -7.327 -4.489 -1.905 1.00 15.00 C ATOM 872 C ARG A 58 -6.931 -4.377 -0.436 1.00 15.00 C ATOM 873 O ARG A 58 -6.266 -3.422 -0.035 1.00 15.00 O ATOM 874 CB ARG A 58 -6.453 -5.565 -2.565 1.00 15.00 C ATOM 875 CG ARG A 58 -6.817 -5.883 -4.006 1.00 15.00 C ATOM 876 CD ARG A 58 -8.103 -6.687 -4.102 1.00 15.00 C ATOM 877 NE ARG A 58 -9.186 -5.908 -4.711 1.00 15.00 N ATOM 878 CZ ARG A 58 -10.036 -6.391 -5.619 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.933 -7.648 -6.026 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -10.975 -5.606 -6.140 1.00 15.00 N ATOM 0 H ARG A 58 -6.294 -2.717 -2.336 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.378 -4.767 -1.982 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.413 -5.241 -2.530 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.521 -6.480 -1.977 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -6.927 -4.954 -4.566 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.004 -6.441 -4.471 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -7.926 -7.587 -4.691 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -8.404 -7.012 -3.106 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.296 -4.936 -4.422 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -9.202 -8.249 -5.645 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.584 -8.014 -6.720 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.047 -4.632 -5.846 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.623 -5.978 -6.834 1.00 15.00 H new ATOM 894 N ASN A 59 -7.338 -5.359 0.355 1.00 15.00 N ATOM 895 CA ASN A 59 -7.002 -5.403 1.771 1.00 15.00 C ATOM 896 C ASN A 59 -6.359 -6.750 2.088 1.00 15.00 C ATOM 897 O ASN A 59 -7.019 -7.671 2.567 1.00 15.00 O ATOM 898 CB ASN A 59 -8.248 -5.195 2.642 1.00 15.00 C ATOM 899 CG ASN A 59 -7.905 -4.952 4.105 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.845 -5.356 4.587 1.00 15.00 O ATOM 901 ND2 ASN A 59 -8.806 -4.298 4.825 1.00 15.00 N ATOM 0 H ASN A 59 -7.907 -6.143 0.036 1.00 15.00 H new ATOM 0 HA ASN A 59 -6.303 -4.597 1.993 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.816 -4.347 2.260 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.892 -6.071 2.564 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -8.633 -4.114 5.813 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -9.672 -3.979 4.391 1.00 15.00 H new ATOM 908 N PRO A 60 -5.055 -6.884 1.815 1.00 15.00 N ATOM 909 CA PRO A 60 -4.331 -8.126 2.043 1.00 15.00 C ATOM 910 C PRO A 60 -3.776 -8.260 3.460 1.00 15.00 C ATOM 911 O PRO A 60 -3.192 -9.289 3.805 1.00 15.00 O ATOM 912 CB PRO A 60 -3.195 -8.029 1.025 1.00 15.00 C ATOM 913 CG PRO A 60 -2.919 -6.569 0.874 1.00 15.00 C ATOM 914 CD PRO A 60 -4.182 -5.834 1.255 1.00 15.00 C ATOM 0 HA PRO A 60 -4.973 -9.000 1.932 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -2.310 -8.562 1.372 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -3.482 -8.475 0.073 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -2.090 -6.266 1.513 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -2.633 -6.336 -0.151 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.982 -5.050 1.986 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -4.640 -5.354 0.390 1.00 15.00 H new ATOM 922 N ASP A 61 -3.967 -7.236 4.284 1.00 15.00 N ATOM 923 CA ASP A 61 -3.451 -7.255 5.653 1.00 15.00 C ATOM 924 C ASP A 61 -4.570 -7.430 6.672 1.00 15.00 C ATOM 925 O ASP A 61 -4.315 -7.712 7.846 1.00 15.00 O ATOM 926 CB ASP A 61 -2.671 -5.968 5.948 1.00 15.00 C ATOM 927 CG ASP A 61 -2.054 -5.971 7.337 1.00 15.00 C ATOM 928 OD1 ASP A 61 -2.266 -5.004 8.093 1.00 15.00 O ATOM 929 OD2 ASP A 61 -1.369 -6.956 7.683 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.472 -6.386 4.033 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.780 -8.110 5.739 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -1.884 -5.844 5.204 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.338 -5.112 5.851 1.00 15.00 H new ATOM 934 N ARG A 62 -5.811 -7.289 6.212 1.00 15.00 N ATOM 935 CA ARG A 62 -6.985 -7.409 7.078 1.00 15.00 C ATOM 936 C ARG A 62 -6.986 -6.271 8.094 1.00 15.00 C ATOM 937 O ARG A 62 -7.446 -6.429 9.230 1.00 15.00 O ATOM 938 CB ARG A 62 -7.019 -8.759 7.809 1.00 15.00 C ATOM 939 CG ARG A 62 -6.781 -9.962 6.912 1.00 15.00 C ATOM 940 CD ARG A 62 -6.809 -11.253 7.708 1.00 15.00 C ATOM 941 NE ARG A 62 -5.820 -11.244 8.780 1.00 15.00 N ATOM 942 CZ ARG A 62 -6.119 -11.355 10.074 1.00 15.00 C ATOM 943 NH1 ARG A 62 -7.380 -11.500 10.462 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -5.156 -11.324 10.979 1.00 15.00 N ATOM 0 H ARG A 62 -6.032 -7.090 5.236 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.874 -7.351 6.450 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -6.264 -8.752 8.596 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -7.987 -8.870 8.297 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -7.543 -9.995 6.133 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -5.818 -9.861 6.411 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -7.803 -11.399 8.130 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.618 -12.095 7.043 1.00 15.00 H new ATOM 0 HE ARG A 62 -4.838 -11.147 8.523 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -8.127 -11.527 9.768 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -7.602 -11.584 11.454 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -4.185 -11.215 10.687 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -5.384 -11.409 11.970 1.00 15.00 H new ATOM 958 N ASP A 63 -6.464 -5.127 7.678 1.00 15.00 N ATOM 959 CA ASP A 63 -6.395 -3.953 8.539 1.00 15.00 C ATOM 960 C ASP A 63 -7.756 -3.264 8.620 1.00 15.00 C ATOM 961 O ASP A 63 -8.756 -3.795 8.131 1.00 15.00 O ATOM 962 CB ASP A 63 -5.314 -2.980 8.052 1.00 15.00 C ATOM 963 CG ASP A 63 -5.791 -2.098 6.922 1.00 15.00 C ATOM 964 OD1 ASP A 63 -6.222 -0.953 7.201 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.740 -2.544 5.765 1.00 15.00 O1- ATOM 0 H ASP A 63 -6.080 -4.985 6.744 1.00 15.00 H new ATOM 0 HA ASP A 63 -6.121 -4.281 9.542 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -4.992 -2.355 8.885 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -4.443 -3.546 7.723 1.00 15.00 H new ATOM 970 N LEU A 64 -7.776 -2.090 9.242 1.00 15.00 N ATOM 971 CA LEU A 64 -8.999 -1.310 9.440 1.00 15.00 C ATOM 972 C LEU A 64 -9.798 -1.117 8.149 1.00 15.00 C ATOM 973 O LEU A 64 -11.026 -1.216 8.165 1.00 15.00 O ATOM 974 CB LEU A 64 -8.649 0.055 10.035 1.00 15.00 C ATOM 975 CG LEU A 64 -7.827 0.005 11.324 1.00 15.00 C ATOM 976 CD1 LEU A 64 -7.388 1.401 11.730 1.00 15.00 C ATOM 977 CD2 LEU A 64 -8.625 -0.647 12.439 1.00 15.00 C ATOM 0 H LEU A 64 -6.941 -1.648 9.626 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.630 -1.875 10.126 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -8.096 0.628 9.291 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.574 0.597 10.232 1.00 15.00 H new ATOM 0 HG LEU A 64 -6.936 -0.596 11.141 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -6.804 1.346 12.649 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -6.778 1.835 10.938 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -8.266 2.025 11.895 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -8.025 -0.674 13.348 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -9.533 -0.072 12.621 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -8.891 -1.664 12.150 1.00 15.00 H new ATOM 989 N ARG A 65 -9.116 -0.837 7.043 1.00 15.00 N ATOM 990 CA ARG A 65 -9.793 -0.637 5.763 1.00 15.00 C ATOM 991 C ARG A 65 -8.817 -0.748 4.594 1.00 15.00 C ATOM 992 O ARG A 65 -7.642 -0.413 4.727 1.00 15.00 O ATOM 993 CB ARG A 65 -10.514 0.716 5.726 1.00 15.00 C ATOM 994 CG ARG A 65 -9.678 1.887 6.210 1.00 15.00 C ATOM 995 CD ARG A 65 -10.373 3.203 5.911 1.00 15.00 C ATOM 996 NE ARG A 65 -9.881 4.297 6.748 1.00 15.00 N ATOM 997 CZ ARG A 65 -10.044 5.587 6.458 1.00 15.00 C ATOM 998 NH1 ARG A 65 -10.680 5.948 5.350 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -9.572 6.518 7.278 1.00 15.00 N ATOM 0 H ARG A 65 -8.101 -0.743 7.005 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.536 -1.428 5.662 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.837 0.914 4.704 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -11.414 0.651 6.337 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -9.504 1.797 7.282 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.702 1.868 5.726 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.226 3.458 4.861 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -11.446 3.087 6.064 1.00 15.00 H new ATOM 0 HE ARG A 65 -9.383 4.058 7.605 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -11.046 5.237 4.717 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -10.803 6.937 5.132 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -9.084 6.246 8.131 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -9.697 7.505 7.055 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.313 -1.209 3.428 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.498 -1.391 2.222 1.00 15.00 C ATOM 1015 C PRO A 66 -7.666 -0.167 1.853 1.00 15.00 C ATOM 1016 O PRO A 66 -8.059 0.980 2.092 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.533 -1.669 1.130 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.703 -2.239 1.845 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.722 -1.585 3.196 1.00 15.00 C ATOM 0 HA PRO A 66 -7.766 -2.186 2.364 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.802 -0.756 0.599 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.146 -2.367 0.388 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.627 -2.040 1.302 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.615 -3.322 1.937 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.376 -0.713 3.209 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.085 -2.267 3.965 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.516 -0.433 1.261 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.600 0.607 0.837 1.00 15.00 C ATOM 1029 C TRP A 67 -5.040 0.256 -0.533 1.00 15.00 C ATOM 1030 O TRP A 67 -5.370 -0.794 -1.087 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.463 0.777 1.852 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.853 -0.517 2.307 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.353 -1.363 3.250 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.627 -1.104 1.849 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.522 -2.441 3.408 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.456 -2.309 2.558 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.665 -0.735 0.905 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -1.356 -3.139 2.360 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.575 -1.560 0.708 1.00 15.00 C ATOM 1040 CH2 TRP A 67 -0.430 -2.753 1.429 1.00 15.00 C ATOM 0 H TRP A 67 -6.191 -1.379 1.061 1.00 15.00 H new ATOM 0 HA TRP A 67 -6.139 1.552 0.776 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.684 1.398 1.409 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.843 1.313 2.721 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.272 -1.207 3.795 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -3.673 -3.216 4.054 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.772 0.179 0.340 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -1.238 -4.054 2.921 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.178 -1.281 -0.014 1.00 15.00 H new ATOM 0 HH2 TRP A 67 0.430 -3.380 1.246 1.00 15.00 H new ATOM 1051 N CYS A 68 -4.216 1.128 -1.085 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.625 0.879 -2.389 1.00 15.00 C ATOM 1053 C CYS A 68 -2.392 1.746 -2.604 1.00 15.00 C ATOM 1054 O CYS A 68 -2.296 2.848 -2.059 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.652 1.134 -3.497 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.858 2.428 -3.115 1.00 15.00 S ATOM 0 H CYS A 68 -3.941 2.011 -0.654 1.00 15.00 H new ATOM 0 HA CYS A 68 -3.317 -0.166 -2.427 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -4.123 1.406 -4.410 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -5.186 0.206 -3.702 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.909 1.894 -2.568 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.446 1.234 -3.383 1.00 15.00 N ATOM 1063 CA PHE A 69 -0.220 1.960 -3.679 1.00 15.00 C ATOM 1064 C PHE A 69 -0.501 3.073 -4.677 1.00 15.00 C ATOM 1065 O PHE A 69 -1.360 2.932 -5.544 1.00 15.00 O ATOM 1066 CB PHE A 69 0.846 1.007 -4.224 1.00 15.00 C ATOM 1067 CG PHE A 69 1.381 0.053 -3.192 1.00 15.00 C ATOM 1068 CD1 PHE A 69 2.088 0.527 -2.099 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.178 -1.311 -3.311 1.00 15.00 C ATOM 1070 CE1 PHE A 69 2.580 -0.339 -1.144 1.00 15.00 C ATOM 1071 CE2 PHE A 69 1.671 -2.183 -2.357 1.00 15.00 C ATOM 1072 CZ PHE A 69 2.373 -1.694 -1.273 1.00 15.00 C ATOM 0 H PHE A 69 -1.507 0.315 -3.822 1.00 15.00 H new ATOM 0 HA PHE A 69 0.157 2.404 -2.758 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.423 0.436 -5.051 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.672 1.592 -4.630 1.00 15.00 H new ATOM 0 HD1 PHE A 69 2.256 1.589 -1.993 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.629 -1.698 -4.157 1.00 15.00 H new ATOM 0 HE1 PHE A 69 3.127 0.046 -0.296 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.507 -3.246 -2.460 1.00 15.00 H new ATOM 0 HZ PHE A 69 2.759 -2.373 -0.528 1.00 15.00 H new ATOM 1082 N THR A 70 0.210 4.177 -4.546 1.00 15.00 N ATOM 1083 CA THR A 70 0.028 5.312 -5.432 1.00 15.00 C ATOM 1084 C THR A 70 1.167 5.402 -6.437 1.00 15.00 C ATOM 1085 O THR A 70 2.236 4.836 -6.224 1.00 15.00 O ATOM 1086 CB THR A 70 -0.051 6.620 -4.627 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.581 6.441 -3.350 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.496 7.040 -4.422 1.00 15.00 C ATOM 0 H THR A 70 0.924 4.312 -3.830 1.00 15.00 H new ATOM 0 HA THR A 70 -0.908 5.167 -5.971 1.00 15.00 H new ATOM 0 HB THR A 70 0.463 7.401 -5.187 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.540 6.628 -3.430 1.00 15.00 H new ATOM 0 HG21 THR A 70 -1.528 7.967 -3.850 1.00 15.00 H new ATOM 0 HG22 THR A 70 -1.971 7.195 -5.391 1.00 15.00 H new ATOM 0 HG23 THR A 70 -2.028 6.260 -3.878 1.00 15.00 H new ATOM 1096 N THR A 71 0.929 6.091 -7.542 1.00 15.00 N ATOM 1097 CA THR A 71 1.946 6.255 -8.568 1.00 15.00 C ATOM 1098 C THR A 71 2.775 7.509 -8.310 1.00 15.00 C ATOM 1099 O THR A 71 3.731 7.804 -9.032 1.00 15.00 O ATOM 1100 CB THR A 71 1.302 6.347 -9.958 1.00 15.00 C ATOM 1101 OG1 THR A 71 0.049 7.042 -9.863 1.00 15.00 O ATOM 1102 CG2 THR A 71 1.077 4.963 -10.547 1.00 15.00 C ATOM 0 H THR A 71 0.040 6.546 -7.751 1.00 15.00 H new ATOM 0 HA THR A 71 2.599 5.383 -8.533 1.00 15.00 H new ATOM 0 HB THR A 71 1.978 6.894 -10.616 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.189 7.409 -10.740 1.00 15.00 H new ATOM 0 HG21 THR A 71 0.620 5.057 -11.532 1.00 15.00 H new ATOM 0 HG22 THR A 71 2.033 4.447 -10.638 1.00 15.00 H new ATOM 0 HG23 THR A 71 0.417 4.392 -9.893 1.00 15.00 H new ATOM 1110 N ASP A 72 2.389 8.242 -7.277 1.00 15.00 N ATOM 1111 CA ASP A 72 3.069 9.470 -6.895 1.00 15.00 C ATOM 1112 C ASP A 72 4.378 9.159 -6.176 1.00 15.00 C ATOM 1113 O ASP A 72 4.388 8.430 -5.190 1.00 15.00 O ATOM 1114 CB ASP A 72 2.165 10.315 -5.993 1.00 15.00 C ATOM 1115 CG ASP A 72 0.941 10.835 -6.722 1.00 15.00 C ATOM 1116 OD1 ASP A 72 0.969 12.000 -7.176 1.00 15.00 O ATOM 1117 OD2 ASP A 72 -0.051 10.087 -6.842 1.00 15.00 O1- ATOM 0 H ASP A 72 1.597 8.003 -6.681 1.00 15.00 H new ATOM 0 HA ASP A 72 3.296 10.033 -7.800 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.848 9.717 -5.139 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.735 11.157 -5.599 1.00 15.00 H new ATOM 1122 N PRO A 73 5.501 9.731 -6.646 1.00 15.00 N ATOM 1123 CA PRO A 73 6.826 9.494 -6.049 1.00 15.00 C ATOM 1124 C PRO A 73 6.924 9.960 -4.596 1.00 15.00 C ATOM 1125 O PRO A 73 7.820 9.544 -3.860 1.00 15.00 O ATOM 1126 CB PRO A 73 7.774 10.321 -6.927 1.00 15.00 C ATOM 1127 CG PRO A 73 7.020 10.613 -8.177 1.00 15.00 C ATOM 1128 CD PRO A 73 5.570 10.648 -7.796 1.00 15.00 C ATOM 0 HA PRO A 73 7.057 8.429 -6.020 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.069 11.242 -6.424 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.689 9.769 -7.142 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.332 11.565 -8.606 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.206 9.848 -8.931 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.248 11.654 -7.528 1.00 15.00 H new ATOM 0 HD3 PRO A 73 4.931 10.316 -8.614 1.00 15.00 H new ATOM 1136 N ASN A 74 5.996 10.816 -4.189 1.00 15.00 N ATOM 1137 CA ASN A 74 5.987 11.353 -2.834 1.00 15.00 C ATOM 1138 C ASN A 74 5.082 10.544 -1.909 1.00 15.00 C ATOM 1139 O ASN A 74 4.936 10.878 -0.731 1.00 15.00 O ATOM 1140 CB ASN A 74 5.533 12.815 -2.848 1.00 15.00 C ATOM 1141 CG ASN A 74 4.113 12.977 -3.360 1.00 15.00 C ATOM 1142 OD1 ASN A 74 3.880 12.993 -4.566 1.00 15.00 O ATOM 1143 ND2 ASN A 74 3.152 13.100 -2.454 1.00 15.00 N ATOM 0 H ASN A 74 5.237 11.155 -4.780 1.00 15.00 H new ATOM 0 HA ASN A 74 7.005 11.288 -2.451 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.601 13.223 -1.840 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.210 13.397 -3.474 1.00 15.00 H new ATOM 0 HD21 ASN A 74 2.183 13.212 -2.751 1.00 15.00 H new ATOM 0 HD22 ASN A 74 3.382 13.082 -1.461 1.00 15.00 H new ATOM 1150 N LYS A 75 4.471 9.486 -2.427 1.00 15.00 N ATOM 1151 CA LYS A 75 3.585 8.663 -1.618 1.00 15.00 C ATOM 1152 C LYS A 75 3.573 7.231 -2.125 1.00 15.00 C ATOM 1153 O LYS A 75 3.186 6.971 -3.260 1.00 15.00 O ATOM 1154 CB LYS A 75 2.167 9.238 -1.631 1.00 15.00 C ATOM 1155 CG LYS A 75 1.321 8.813 -0.442 1.00 15.00 C ATOM 1156 CD LYS A 75 1.762 9.512 0.834 1.00 15.00 C ATOM 1157 CE LYS A 75 1.093 10.871 0.994 1.00 15.00 C ATOM 1158 NZ LYS A 75 0.230 10.923 2.204 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.572 9.181 -3.395 1.00 15.00 H new ATOM 0 HA LYS A 75 3.956 8.664 -0.593 1.00 15.00 H new ATOM 0 HB2 LYS A 75 2.227 10.326 -1.652 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.668 8.928 -2.549 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.274 9.041 -0.639 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.393 7.733 -0.310 1.00 15.00 H new ATOM 0 HD2 LYS A 75 1.523 8.885 1.693 1.00 15.00 H new ATOM 0 HD3 LYS A 75 2.845 9.639 0.824 1.00 15.00 H new ATOM 0 HE2 LYS A 75 1.856 11.646 1.058 1.00 15.00 H new ATOM 0 HE3 LYS A 75 0.493 11.087 0.110 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 -0.058 11.906 2.383 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 -0.616 10.337 2.053 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 0.759 10.562 3.024 1.00 15.00 H new ATOM 1172 N ARG A 76 3.985 6.302 -1.277 1.00 15.00 N ATOM 1173 CA ARG A 76 4.027 4.898 -1.658 1.00 15.00 C ATOM 1174 C ARG A 76 2.622 4.319 -1.746 1.00 15.00 C ATOM 1175 O ARG A 76 2.297 3.599 -2.686 1.00 15.00 O ATOM 1176 CB ARG A 76 4.872 4.099 -0.665 1.00 15.00 C ATOM 1177 CG ARG A 76 6.365 4.301 -0.847 1.00 15.00 C ATOM 1178 CD ARG A 76 7.154 3.715 0.311 1.00 15.00 C ATOM 1179 NE ARG A 76 6.893 4.421 1.561 1.00 15.00 N ATOM 1180 CZ ARG A 76 7.786 5.170 2.205 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.019 5.313 1.730 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 7.429 5.822 3.300 1.00 15.00 N ATOM 0 H ARG A 76 4.294 6.493 -0.324 1.00 15.00 H new ATOM 0 HA ARG A 76 4.488 4.827 -2.643 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.595 4.385 0.350 1.00 15.00 H new ATOM 0 HB3 ARG A 76 4.640 3.039 -0.772 1.00 15.00 H new ATOM 0 HG2 ARG A 76 6.685 3.835 -1.779 1.00 15.00 H new ATOM 0 HG3 ARG A 76 6.581 5.366 -0.933 1.00 15.00 H new ATOM 0 HD2 ARG A 76 6.898 2.662 0.429 1.00 15.00 H new ATOM 0 HD3 ARG A 76 8.219 3.760 0.084 1.00 15.00 H new ATOM 0 HE ARG A 76 5.962 4.335 1.970 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.289 4.847 0.864 1.00 15.00 H new ATOM 0 HH12 ARG A 76 9.695 5.889 2.231 1.00 15.00 H new ATOM 0 HH21 ARG A 76 6.473 5.750 3.648 1.00 15.00 H new ATOM 0 HH22 ARG A 76 8.110 6.397 3.796 1.00 15.00 H new ATOM 1196 N TRP A 77 1.795 4.643 -0.764 1.00 15.00 N ATOM 1197 CA TRP A 77 0.420 4.165 -0.723 1.00 15.00 C ATOM 1198 C TRP A 77 -0.439 5.120 0.089 1.00 15.00 C ATOM 1199 O TRP A 77 0.083 5.943 0.847 1.00 15.00 O ATOM 1200 CB TRP A 77 0.341 2.755 -0.122 1.00 15.00 C ATOM 1201 CG TRP A 77 0.961 2.640 1.233 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.284 2.468 1.509 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.285 2.683 2.497 1.00 15.00 C ATOM 1204 NE1 TRP A 77 2.477 2.414 2.865 1.00 15.00 N ATOM 1205 CE2 TRP A 77 1.267 2.543 3.494 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -1.050 2.831 2.883 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 0.956 2.547 4.851 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -1.357 2.835 4.231 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -0.358 2.696 5.200 1.00 15.00 C ATOM 0 H TRP A 77 2.054 5.240 0.022 1.00 15.00 H new ATOM 0 HA TRP A 77 0.047 4.122 -1.746 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.705 2.455 -0.059 1.00 15.00 H new ATOM 0 HB3 TRP A 77 0.833 2.055 -0.797 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.066 2.386 0.768 1.00 15.00 H new ATOM 0 HE1 TRP A 77 3.377 2.297 3.331 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.828 2.940 2.142 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 1.725 2.436 5.601 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -2.385 2.947 4.541 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -0.630 2.707 6.245 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.747 5.005 -0.065 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.674 5.856 0.658 1.00 15.00 C ATOM 1222 C GLU A 78 -3.882 5.060 1.136 1.00 15.00 C ATOM 1223 O GLU A 78 -4.105 3.925 0.706 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.135 7.021 -0.222 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.541 8.359 0.183 1.00 15.00 C ATOM 1226 CD GLU A 78 -2.560 8.577 1.683 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -1.517 8.977 2.242 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -3.612 8.342 2.312 1.00 15.00 O1- ATOM 0 H GLU A 78 -2.191 4.329 -0.686 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.152 6.255 1.528 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.867 6.812 -1.258 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.222 7.088 -0.182 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.514 8.419 -0.176 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -3.096 9.161 -0.304 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.651 5.670 2.023 1.00 15.00 N ATOM 1236 CA TYR A 79 -5.842 5.046 2.578 1.00 15.00 C ATOM 1237 C TYR A 79 -7.021 5.200 1.625 1.00 15.00 C ATOM 1238 O TYR A 79 -7.015 6.063 0.741 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.195 5.685 3.928 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.734 4.894 5.134 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.400 4.886 5.519 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -6.640 4.166 5.892 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.982 4.174 6.624 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -6.229 3.449 6.999 1.00 15.00 C ATOM 1245 CZ TYR A 79 -4.899 3.456 7.361 1.00 15.00 C ATOM 1246 OH TYR A 79 -4.487 2.741 8.461 1.00 15.00 O ATOM 0 H TYR A 79 -4.469 6.609 2.378 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.635 3.985 2.721 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -5.754 6.681 3.971 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.276 5.813 3.984 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -3.678 5.446 4.944 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -7.683 4.160 5.612 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -2.941 4.179 6.910 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -6.946 2.886 7.578 1.00 15.00 H new ATOM 0 HH TYR A 79 -5.258 2.293 8.868 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.025 4.355 1.797 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.220 4.421 0.975 1.00 15.00 C ATOM 1258 C CYS A 80 -10.431 4.684 1.864 1.00 15.00 C ATOM 1259 O CYS A 80 -10.502 4.200 2.994 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.402 3.122 0.189 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.504 3.270 -1.233 1.00 15.00 S ATOM 0 H CYS A 80 -8.035 3.615 2.499 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.118 5.236 0.259 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.427 2.778 -0.155 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -9.792 2.356 0.859 1.00 15.00 H new ATOM 0 HG CYS A 80 -10.593 2.121 -1.835 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.371 5.472 1.366 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.569 5.801 2.124 1.00 15.00 C ATOM 1269 C ASP A 81 -13.761 4.999 1.610 1.00 15.00 C ATOM 1270 O ASP A 81 -14.250 5.229 0.505 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.852 7.305 2.043 1.00 15.00 C ATOM 1272 CG ASP A 81 -14.225 7.662 2.570 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -14.486 7.435 3.770 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -15.046 8.178 1.782 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.328 5.896 0.439 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.405 5.537 3.169 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -12.095 7.846 2.612 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -12.767 7.633 1.007 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.201 4.041 2.412 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.324 3.193 2.055 1.00 15.00 C ATOM 1281 C ILE A 82 -16.353 3.193 3.181 1.00 15.00 C ATOM 1282 O ILE A 82 -15.994 3.007 4.343 1.00 15.00 O ATOM 1283 CB ILE A 82 -14.854 1.745 1.787 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.779 1.722 0.697 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -16.026 0.861 1.386 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -13.048 0.401 0.594 1.00 15.00 C ATOM 0 H ILE A 82 -13.792 3.832 3.322 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.776 3.589 1.145 1.00 15.00 H new ATOM 0 HB ILE A 82 -14.426 1.353 2.710 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -14.243 1.947 -0.264 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -13.056 2.513 0.895 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -15.671 -0.153 1.203 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -16.763 0.848 2.189 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.485 1.254 0.479 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.302 0.459 -0.199 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -12.555 0.183 1.541 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -13.760 -0.392 0.365 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.634 3.442 2.862 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.710 3.465 3.862 1.00 15.00 C ATOM 1300 C PRO A 83 -18.941 2.091 4.496 1.00 15.00 C ATOM 1301 O PRO A 83 -19.142 1.097 3.795 1.00 15.00 O ATOM 1302 CB PRO A 83 -19.942 3.894 3.058 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.621 3.581 1.640 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.134 3.735 1.505 1.00 15.00 C ATOM 0 HA PRO A 83 -18.476 4.130 4.693 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -20.832 3.357 3.387 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.145 4.957 3.189 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -19.933 2.568 1.385 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.146 4.256 0.964 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -17.724 3.044 0.768 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -17.862 4.741 1.185 1.00 15.00 H new ATOM 1312 N ARG A 84 -18.912 2.038 5.820 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.109 0.784 6.540 1.00 15.00 C ATOM 1314 C ARG A 84 -20.491 0.741 7.182 1.00 15.00 C ATOM 1315 O ARG A 84 -21.094 1.785 7.443 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.027 0.591 7.612 1.00 15.00 C ATOM 1317 CG ARG A 84 -18.088 1.602 8.751 1.00 15.00 C ATOM 1318 CD ARG A 84 -17.151 2.774 8.514 1.00 15.00 C ATOM 1319 NE ARG A 84 -17.319 3.823 9.522 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.493 4.015 10.553 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -15.430 3.237 10.720 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -16.737 4.986 11.420 1.00 15.00 N ATOM 0 H ARG A 84 -18.754 2.848 6.419 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.032 -0.029 5.818 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.118 -0.413 8.027 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.047 0.653 7.138 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -19.109 1.968 8.858 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -17.826 1.111 9.688 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -16.120 2.422 8.526 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -17.334 3.190 7.523 1.00 15.00 H new ATOM 0 HE ARG A 84 -18.120 4.448 9.430 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -15.239 2.485 10.058 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -14.804 3.391 11.511 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -17.554 5.584 11.299 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -16.108 5.135 12.209 1.00 15.00 H new ATOM 1336 N CYS A 85 -20.992 -0.467 7.427 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.297 -0.644 8.054 1.00 15.00 C ATOM 1338 C CYS A 85 -22.246 -0.194 9.511 1.00 15.00 C ATOM 1339 O CYS A 85 -21.180 -0.214 10.134 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.736 -2.111 7.983 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.711 -2.815 6.322 1.00 15.00 S ATOM 0 H CYS A 85 -20.513 -1.338 7.200 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.021 -0.034 7.514 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.086 -2.704 8.626 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.745 -2.196 8.386 1.00 15.00 H new ATOM 0 HG CYS A 85 -23.096 -4.056 6.371 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.391 0.211 10.048 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.467 0.666 11.433 1.00 15.00 C ATOM 1349 C ALA A 86 -23.289 -0.505 12.392 1.00 15.00 C ATOM 1350 O ALA A 86 -22.852 -0.336 13.531 1.00 15.00 O ATOM 1351 CB ALA A 86 -24.794 1.366 11.693 1.00 15.00 C ATOM 0 H ALA A 86 -24.279 0.234 9.547 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.660 1.378 11.604 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -24.833 1.698 12.730 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -24.886 2.228 11.032 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.614 0.674 11.503 1.00 15.00 H new ATOM 1357 N ALA A 87 -23.633 -1.690 11.919 1.00 15.00 N ATOM 1358 CA ALA A 87 -23.510 -2.894 12.717 1.00 15.00 C ATOM 1359 C ALA A 87 -22.198 -3.596 12.397 1.00 15.00 C ATOM 1360 O ALA A 87 -21.948 -3.873 11.207 1.00 15.00 O ATOM 1361 CB ALA A 87 -24.690 -3.816 12.462 1.00 15.00 C ATOM 1362 OXT ALA A 87 -21.413 -3.851 13.332 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.002 -1.843 10.980 1.00 15.00 H new ATOM 0 HA ALA A 87 -23.510 -2.624 13.773 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -24.586 -4.716 13.067 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -25.615 -3.305 12.728 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -24.717 -4.089 11.407 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 18.541 4.224 -15.348 1.00 15.00 N ATOM 1370 CA GLY B 101 17.705 3.196 -14.688 1.00 15.00 C ATOM 1371 C GLY B 101 16.535 3.809 -13.954 1.00 15.00 C ATOM 1372 O GLY B 101 15.684 4.466 -14.557 1.00 15.00 O ATOM 0 HA2 GLY B 101 17.337 2.493 -15.435 1.00 15.00 H new ATOM 0 HA3 GLY B 101 18.315 2.626 -13.987 1.00 15.00 H new ATOM 1378 N SER B 102 16.504 3.615 -12.648 1.00 15.00 N ATOM 1379 CA SER B 102 15.437 4.146 -11.825 1.00 15.00 C ATOM 1380 C SER B 102 16.022 4.970 -10.685 1.00 15.00 C ATOM 1381 O SER B 102 17.238 5.146 -10.605 1.00 15.00 O ATOM 1382 CB SER B 102 14.585 3.004 -11.275 1.00 15.00 C ATOM 1383 OG SER B 102 14.122 2.162 -12.321 1.00 15.00 O ATOM 0 H SER B 102 17.211 3.090 -12.134 1.00 15.00 H new ATOM 0 HA SER B 102 14.803 4.792 -12.433 1.00 15.00 H new ATOM 0 HB2 SER B 102 15.170 2.419 -10.565 1.00 15.00 H new ATOM 0 HB3 SER B 102 13.734 3.411 -10.728 1.00 15.00 H new ATOM 0 HG SER B 102 13.581 1.438 -11.943 1.00 15.00 H new ATOM 1389 N VAL B 103 15.167 5.488 -9.817 1.00 15.00 N ATOM 1390 CA VAL B 103 15.631 6.278 -8.688 1.00 15.00 C ATOM 1391 C VAL B 103 16.290 5.366 -7.647 1.00 15.00 C ATOM 1392 O VAL B 103 15.622 4.661 -6.884 1.00 15.00 O ATOM 1393 CB VAL B 103 14.485 7.113 -8.061 1.00 15.00 C ATOM 1394 CG1 VAL B 103 13.291 6.243 -7.682 1.00 15.00 C ATOM 1395 CG2 VAL B 103 14.989 7.904 -6.863 1.00 15.00 C ATOM 0 H VAL B 103 14.155 5.377 -9.872 1.00 15.00 H new ATOM 0 HA VAL B 103 16.374 6.988 -9.051 1.00 15.00 H new ATOM 0 HB VAL B 103 14.141 7.818 -8.817 1.00 15.00 H new ATOM 0 HG11 VAL B 103 12.510 6.866 -7.246 1.00 15.00 H new ATOM 0 HG12 VAL B 103 12.905 5.747 -8.573 1.00 15.00 H new ATOM 0 HG13 VAL B 103 13.604 5.493 -6.956 1.00 15.00 H new ATOM 0 HG21 VAL B 103 14.169 8.483 -6.438 1.00 15.00 H new ATOM 0 HG22 VAL B 103 15.376 7.217 -6.110 1.00 15.00 H new ATOM 0 HG23 VAL B 103 15.783 8.579 -7.181 1.00 15.00 H new ATOM 1405 N GLU B 104 17.612 5.355 -7.657 1.00 15.00 N ATOM 1406 CA GLU B 104 18.384 4.530 -6.740 1.00 15.00 C ATOM 1407 C GLU B 104 19.084 5.396 -5.698 1.00 15.00 C ATOM 1408 O GLU B 104 20.147 5.038 -5.182 1.00 15.00 O ATOM 1409 CB GLU B 104 19.411 3.708 -7.522 1.00 15.00 C ATOM 1410 CG GLU B 104 18.790 2.787 -8.561 1.00 15.00 C ATOM 1411 CD GLU B 104 19.541 2.801 -9.879 1.00 15.00 C ATOM 1412 OE1 GLU B 104 18.943 2.452 -10.919 1.00 15.00 O ATOM 1413 OE2 GLU B 104 20.736 3.167 -9.885 1.00 15.00 O1- ATOM 0 H GLU B 104 18.178 5.913 -8.296 1.00 15.00 H new ATOM 0 HA GLU B 104 17.705 3.853 -6.221 1.00 15.00 H new ATOM 0 HB2 GLU B 104 20.105 4.386 -8.018 1.00 15.00 H new ATOM 0 HB3 GLU B 104 19.995 3.111 -6.822 1.00 15.00 H new ATOM 0 HG2 GLU B 104 18.767 1.769 -8.171 1.00 15.00 H new ATOM 0 HG3 GLU B 104 17.756 3.085 -8.733 1.00 15.00 H new ATOM 1420 N LYS B 105 18.476 6.535 -5.394 1.00 15.00 N ATOM 1421 CA LYS B 105 19.019 7.467 -4.413 1.00 15.00 C ATOM 1422 C LYS B 105 19.037 6.839 -3.025 1.00 15.00 C ATOM 1423 O LYS B 105 20.008 6.970 -2.279 1.00 15.00 O ATOM 1424 CB LYS B 105 18.187 8.752 -4.401 1.00 15.00 C ATOM 1425 CG LYS B 105 18.619 9.759 -3.352 1.00 15.00 C ATOM 1426 CD LYS B 105 17.730 10.991 -3.362 1.00 15.00 C ATOM 1427 CE LYS B 105 18.077 11.931 -2.223 1.00 15.00 C ATOM 1428 NZ LYS B 105 17.316 13.204 -2.303 1.00 15.00 N1+ ATOM 0 H LYS B 105 17.599 6.838 -5.817 1.00 15.00 H new ATOM 0 HA LYS B 105 20.045 7.708 -4.692 1.00 15.00 H new ATOM 0 HB2 LYS B 105 18.246 9.219 -5.384 1.00 15.00 H new ATOM 0 HB3 LYS B 105 17.141 8.494 -4.233 1.00 15.00 H new ATOM 0 HG2 LYS B 105 18.588 9.295 -2.366 1.00 15.00 H new ATOM 0 HG3 LYS B 105 19.653 10.054 -3.533 1.00 15.00 H new ATOM 0 HD2 LYS B 105 17.839 11.513 -4.313 1.00 15.00 H new ATOM 0 HD3 LYS B 105 16.686 10.689 -3.282 1.00 15.00 H new ATOM 0 HE2 LYS B 105 17.867 11.442 -1.272 1.00 15.00 H new ATOM 0 HE3 LYS B 105 19.146 12.145 -2.242 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 17.843 13.955 -1.813 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 17.185 13.468 -3.300 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 16.387 13.082 -1.852 1.00 15.00 H new ATOM 1442 N LEU B 106 17.961 6.141 -2.692 1.00 15.00 N ATOM 1443 CA LEU B 106 17.835 5.492 -1.394 1.00 15.00 C ATOM 1444 C LEU B 106 18.240 4.025 -1.492 1.00 15.00 C ATOM 1445 O LEU B 106 17.428 3.128 -1.262 1.00 15.00 O ATOM 1446 CB LEU B 106 16.398 5.604 -0.866 1.00 15.00 C ATOM 1447 CG LEU B 106 15.929 7.007 -0.460 1.00 15.00 C ATOM 1448 CD1 LEU B 106 17.010 7.753 0.309 1.00 15.00 C ATOM 1449 CD2 LEU B 106 15.488 7.807 -1.675 1.00 15.00 C ATOM 0 H LEU B 106 17.158 6.009 -3.307 1.00 15.00 H new ATOM 0 HA LEU B 106 18.502 5.998 -0.696 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.722 5.226 -1.633 1.00 15.00 H new ATOM 0 HB3 LEU B 106 16.299 4.947 -0.002 1.00 15.00 H new ATOM 0 HG LEU B 106 15.071 6.887 0.201 1.00 15.00 H new ATOM 0 HD11 LEU B 106 16.645 8.743 0.581 1.00 15.00 H new ATOM 0 HD12 LEU B 106 17.262 7.198 1.213 1.00 15.00 H new ATOM 0 HD13 LEU B 106 17.898 7.853 -0.316 1.00 15.00 H new ATOM 0 HD21 LEU B 106 15.160 8.797 -1.359 1.00 15.00 H new ATOM 0 HD22 LEU B 106 16.323 7.905 -2.369 1.00 15.00 H new ATOM 0 HD23 LEU B 106 14.664 7.293 -2.170 1.00 15.00 H new ATOM 1461 N THR B 107 19.502 3.791 -1.829 1.00 15.00 N ATOM 1462 CA THR B 107 20.025 2.438 -1.972 1.00 15.00 C ATOM 1463 C THR B 107 19.951 1.664 -0.653 1.00 15.00 C ATOM 1464 O THR B 107 19.549 0.501 -0.629 1.00 15.00 O ATOM 1465 CB THR B 107 21.484 2.467 -2.461 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.715 3.666 -3.215 1.00 15.00 O ATOM 1467 CG2 THR B 107 21.792 1.253 -3.326 1.00 15.00 C ATOM 0 H THR B 107 20.186 4.526 -2.009 1.00 15.00 H new ATOM 0 HA THR B 107 19.403 1.931 -2.710 1.00 15.00 H new ATOM 0 HB THR B 107 22.140 2.446 -1.591 1.00 15.00 H new ATOM 0 HG1 THR B 107 20.988 3.792 -3.860 1.00 15.00 H new ATOM 0 HG21 THR B 107 22.829 1.297 -3.659 1.00 15.00 H new ATOM 0 HG22 THR B 107 21.636 0.344 -2.746 1.00 15.00 H new ATOM 0 HG23 THR B 107 21.132 1.248 -4.194 1.00 15.00 H new ATOM 1475 N ALA B 108 20.321 2.327 0.440 1.00 15.00 N ATOM 1476 CA ALA B 108 20.311 1.706 1.762 1.00 15.00 C ATOM 1477 C ALA B 108 18.905 1.273 2.164 1.00 15.00 C ATOM 1478 O ALA B 108 18.690 0.127 2.563 1.00 15.00 O ATOM 1479 CB ALA B 108 20.885 2.665 2.798 1.00 15.00 C ATOM 0 H ALA B 108 20.633 3.298 0.436 1.00 15.00 H new ATOM 0 HA ALA B 108 20.935 0.813 1.718 1.00 15.00 H new ATOM 0 HB1 ALA B 108 20.872 2.191 3.779 1.00 15.00 H new ATOM 0 HB2 ALA B 108 21.911 2.918 2.531 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.283 3.573 2.826 1.00 15.00 H new ATOM 1485 N ASP B 109 17.951 2.187 2.039 1.00 15.00 N ATOM 1486 CA ASP B 109 16.562 1.906 2.398 1.00 15.00 C ATOM 1487 C ASP B 109 16.000 0.766 1.565 1.00 15.00 C ATOM 1488 O ASP B 109 15.320 -0.122 2.089 1.00 15.00 O ATOM 1489 CB ASP B 109 15.691 3.145 2.208 1.00 15.00 C ATOM 1490 CG ASP B 109 15.752 4.093 3.386 1.00 15.00 C ATOM 1491 OD1 ASP B 109 15.939 5.309 3.169 1.00 15.00 O ATOM 1492 OD2 ASP B 109 15.607 3.629 4.539 1.00 15.00 O1- ATOM 0 H ASP B 109 18.112 3.132 1.691 1.00 15.00 H new ATOM 0 HA ASP B 109 16.551 1.616 3.449 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.008 3.671 1.308 1.00 15.00 H new ATOM 0 HB3 ASP B 109 14.658 2.836 2.050 1.00 15.00 H new ATOM 1497 N ALA B 110 16.285 0.799 0.270 1.00 15.00 N ATOM 1498 CA ALA B 110 15.817 -0.229 -0.648 1.00 15.00 C ATOM 1499 C ALA B 110 16.365 -1.596 -0.261 1.00 15.00 C ATOM 1500 O ALA B 110 15.619 -2.567 -0.161 1.00 15.00 O ATOM 1501 CB ALA B 110 16.219 0.116 -2.074 1.00 15.00 C ATOM 0 H ALA B 110 16.842 1.532 -0.170 1.00 15.00 H new ATOM 0 HA ALA B 110 14.729 -0.270 -0.588 1.00 15.00 H new ATOM 0 HB1 ALA B 110 15.863 -0.661 -2.750 1.00 15.00 H new ATOM 0 HB2 ALA B 110 15.778 1.072 -2.355 1.00 15.00 H new ATOM 0 HB3 ALA B 110 17.305 0.184 -2.139 1.00 15.00 H new ATOM 1507 N GLU B 111 17.672 -1.658 -0.020 1.00 15.00 N ATOM 1508 CA GLU B 111 18.323 -2.909 0.352 1.00 15.00 C ATOM 1509 C GLU B 111 17.785 -3.442 1.678 1.00 15.00 C ATOM 1510 O GLU B 111 17.445 -4.621 1.785 1.00 15.00 O ATOM 1511 CB GLU B 111 19.840 -2.715 0.441 1.00 15.00 C ATOM 1512 CG GLU B 111 20.576 -3.928 0.992 1.00 15.00 C ATOM 1513 CD GLU B 111 22.037 -3.937 0.622 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.389 -4.558 -0.406 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.847 -3.336 1.356 1.00 15.00 O1- ATOM 0 H GLU B 111 18.300 -0.856 -0.076 1.00 15.00 H new ATOM 0 HA GLU B 111 18.102 -3.643 -0.423 1.00 15.00 H new ATOM 0 HB2 GLU B 111 20.228 -2.485 -0.551 1.00 15.00 H new ATOM 0 HB3 GLU B 111 20.052 -1.853 1.074 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.480 -3.944 2.078 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.104 -4.836 0.616 1.00 15.00 H new ATOM 1522 N LEU B 112 17.699 -2.569 2.678 1.00 15.00 N ATOM 1523 CA LEU B 112 17.210 -2.959 3.999 1.00 15.00 C ATOM 1524 C LEU B 112 15.792 -3.517 3.923 1.00 15.00 C ATOM 1525 O LEU B 112 15.471 -4.514 4.575 1.00 15.00 O ATOM 1526 CB LEU B 112 17.253 -1.765 4.958 1.00 15.00 C ATOM 1527 CG LEU B 112 18.654 -1.281 5.341 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.569 -0.022 6.187 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.423 -2.371 6.077 1.00 15.00 C ATOM 0 H LEU B 112 17.961 -1.586 2.600 1.00 15.00 H new ATOM 0 HA LEU B 112 17.864 -3.744 4.377 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.712 -0.935 4.503 1.00 15.00 H new ATOM 0 HB3 LEU B 112 16.718 -2.033 5.869 1.00 15.00 H new ATOM 0 HG LEU B 112 19.195 -1.046 4.425 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.574 0.308 6.450 1.00 15.00 H new ATOM 0 HD12 LEU B 112 18.066 0.763 5.622 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.006 -0.232 7.097 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.415 -2.003 6.338 1.00 15.00 H new ATOM 0 HD22 LEU B 112 18.886 -2.645 6.985 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.518 -3.246 5.434 1.00 15.00 H new ATOM 1541 N GLN B 113 14.951 -2.872 3.127 1.00 15.00 N ATOM 1542 CA GLN B 113 13.570 -3.306 2.959 1.00 15.00 C ATOM 1543 C GLN B 113 13.521 -4.614 2.179 1.00 15.00 C ATOM 1544 O GLN B 113 12.806 -5.543 2.552 1.00 15.00 O ATOM 1545 CB GLN B 113 12.760 -2.236 2.226 1.00 15.00 C ATOM 1546 CG GLN B 113 11.256 -2.400 2.373 1.00 15.00 C ATOM 1547 CD GLN B 113 10.730 -1.831 3.677 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.355 -0.660 3.749 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.694 -2.656 4.712 1.00 15.00 N ATOM 0 H GLN B 113 15.201 -2.044 2.586 1.00 15.00 H new ATOM 0 HA GLN B 113 13.135 -3.463 3.946 1.00 15.00 H new ATOM 0 HB2 GLN B 113 13.048 -1.254 2.602 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.017 -2.260 1.167 1.00 15.00 H new ATOM 0 HG2 GLN B 113 10.758 -1.907 1.539 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.003 -3.459 2.315 1.00 15.00 H new ATOM 0 HE21 GLN B 113 11.015 -3.619 4.608 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.346 -2.329 5.613 1.00 15.00 H new ATOM 1558 N ARG B 114 14.301 -4.674 1.104 1.00 15.00 N ATOM 1559 CA ARG B 114 14.369 -5.852 0.246 1.00 15.00 C ATOM 1560 C ARG B 114 14.841 -7.075 1.028 1.00 15.00 C ATOM 1561 O ARG B 114 14.240 -8.150 0.944 1.00 15.00 O ATOM 1562 CB ARG B 114 15.316 -5.579 -0.924 1.00 15.00 C ATOM 1563 CG ARG B 114 15.064 -6.446 -2.142 1.00 15.00 C ATOM 1564 CD ARG B 114 15.401 -5.699 -3.421 1.00 15.00 C ATOM 1565 NE ARG B 114 14.545 -4.527 -3.603 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.959 -3.363 -4.106 1.00 15.00 C ATOM 1567 NH1 ARG B 114 16.226 -3.194 -4.467 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 14.105 -2.358 -4.230 1.00 15.00 N ATOM 0 H ARG B 114 14.903 -3.908 0.803 1.00 15.00 H new ATOM 0 HA ARG B 114 13.369 -6.061 -0.135 1.00 15.00 H new ATOM 0 HB2 ARG B 114 15.227 -4.532 -1.213 1.00 15.00 H new ATOM 0 HB3 ARG B 114 16.342 -5.731 -0.590 1.00 15.00 H new ATOM 0 HG2 ARG B 114 15.665 -7.353 -2.078 1.00 15.00 H new ATOM 0 HG3 ARG B 114 14.019 -6.756 -2.162 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.445 -5.387 -3.396 1.00 15.00 H new ATOM 0 HD3 ARG B 114 15.288 -6.368 -4.274 1.00 15.00 H new ATOM 0 HE ARG B 114 13.566 -4.605 -3.327 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.893 -3.958 -4.361 1.00 15.00 H new ATOM 0 HH12 ARG B 114 16.532 -2.300 -4.851 1.00 15.00 H new ATOM 0 HH21 ARG B 114 13.134 -2.475 -3.941 1.00 15.00 H new ATOM 0 HH22 ARG B 114 14.419 -1.467 -4.614 1.00 15.00 H new ATOM 1582 N LEU B 115 15.910 -6.895 1.797 1.00 15.00 N ATOM 1583 CA LEU B 115 16.477 -7.970 2.599 1.00 15.00 C ATOM 1584 C LEU B 115 15.469 -8.449 3.642 1.00 15.00 C ATOM 1585 O LEU B 115 15.261 -9.652 3.815 1.00 15.00 O ATOM 1586 CB LEU B 115 17.760 -7.487 3.285 1.00 15.00 C ATOM 1587 CG LEU B 115 18.500 -8.537 4.117 1.00 15.00 C ATOM 1588 CD1 LEU B 115 19.160 -9.568 3.215 1.00 15.00 C ATOM 1589 CD2 LEU B 115 19.537 -7.870 5.013 1.00 15.00 C ATOM 0 H LEU B 115 16.404 -6.006 1.881 1.00 15.00 H new ATOM 0 HA LEU B 115 16.717 -8.807 1.943 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.440 -7.110 2.521 1.00 15.00 H new ATOM 0 HB3 LEU B 115 17.510 -6.646 3.932 1.00 15.00 H new ATOM 0 HG LEU B 115 17.774 -9.050 4.748 1.00 15.00 H new ATOM 0 HD11 LEU B 115 19.681 -10.305 3.826 1.00 15.00 H new ATOM 0 HD12 LEU B 115 18.399 -10.066 2.614 1.00 15.00 H new ATOM 0 HD13 LEU B 115 19.874 -9.072 2.557 1.00 15.00 H new ATOM 0 HD21 LEU B 115 20.055 -8.630 5.598 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.258 -7.332 4.397 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.041 -7.170 5.685 1.00 15.00 H new ATOM 1601 N LYS B 116 14.831 -7.495 4.313 1.00 15.00 N ATOM 1602 CA LYS B 116 13.847 -7.800 5.339 1.00 15.00 C ATOM 1603 C LYS B 116 12.653 -8.542 4.751 1.00 15.00 C ATOM 1604 O LYS B 116 12.207 -9.550 5.299 1.00 15.00 O ATOM 1605 CB LYS B 116 13.381 -6.513 6.019 1.00 15.00 C ATOM 1606 CG LYS B 116 12.414 -6.745 7.167 1.00 15.00 C ATOM 1607 CD LYS B 116 12.174 -5.477 7.967 1.00 15.00 C ATOM 1608 CE LYS B 116 11.373 -5.775 9.223 1.00 15.00 C ATOM 1609 NZ LYS B 116 11.286 -4.601 10.125 1.00 15.00 N1+ ATOM 0 H LYS B 116 14.982 -6.498 4.161 1.00 15.00 H new ATOM 0 HA LYS B 116 14.318 -8.447 6.079 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.252 -5.974 6.392 1.00 15.00 H new ATOM 0 HB3 LYS B 116 12.904 -5.873 5.277 1.00 15.00 H new ATOM 0 HG2 LYS B 116 11.466 -7.112 6.775 1.00 15.00 H new ATOM 0 HG3 LYS B 116 12.809 -7.520 7.824 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.129 -5.026 8.238 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.641 -4.750 7.354 1.00 15.00 H new ATOM 0 HE2 LYS B 116 10.368 -6.092 8.944 1.00 15.00 H new ATOM 0 HE3 LYS B 116 11.833 -6.607 9.756 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 10.913 -4.900 11.049 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 12.233 -4.189 10.251 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 10.651 -3.890 9.709 1.00 15.00 H new ATOM 1623 N ASN B 117 12.143 -8.040 3.628 1.00 15.00 N ATOM 1624 CA ASN B 117 10.999 -8.652 2.955 1.00 15.00 C ATOM 1625 C ASN B 117 11.326 -10.078 2.526 1.00 15.00 C ATOM 1626 O ASN B 117 10.493 -10.973 2.629 1.00 15.00 O ATOM 1627 CB ASN B 117 10.585 -7.819 1.735 1.00 15.00 C ATOM 1628 CG ASN B 117 9.619 -8.550 0.815 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.409 -8.561 1.041 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.143 -9.149 -0.247 1.00 15.00 N ATOM 0 H ASN B 117 12.506 -7.208 3.163 1.00 15.00 H new ATOM 0 HA ASN B 117 10.168 -8.682 3.659 1.00 15.00 H new ATOM 0 HB2 ASN B 117 10.123 -6.892 2.075 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.476 -7.543 1.171 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.538 -9.638 -0.907 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.150 -9.120 -0.404 1.00 15.00 H new ATOM 1637 N GLU B 118 12.555 -10.281 2.070 1.00 15.00 N ATOM 1638 CA GLU B 118 13.002 -11.593 1.618 1.00 15.00 C ATOM 1639 C GLU B 118 13.053 -12.586 2.778 1.00 15.00 C ATOM 1640 O GLU B 118 12.681 -13.750 2.628 1.00 15.00 O ATOM 1641 CB GLU B 118 14.376 -11.476 0.967 1.00 15.00 C ATOM 1642 CG GLU B 118 14.513 -12.278 -0.313 1.00 15.00 C ATOM 1643 CD GLU B 118 15.388 -11.586 -1.334 1.00 15.00 C ATOM 1644 OE1 GLU B 118 16.610 -11.839 -1.343 1.00 15.00 O ATOM 1645 OE2 GLU B 118 14.858 -10.789 -2.139 1.00 15.00 O1- ATOM 0 H GLU B 118 13.264 -9.550 2.003 1.00 15.00 H new ATOM 0 HA GLU B 118 12.286 -11.966 0.885 1.00 15.00 H new ATOM 0 HB2 GLU B 118 14.578 -10.427 0.752 1.00 15.00 H new ATOM 0 HB3 GLU B 118 15.134 -11.808 1.676 1.00 15.00 H new ATOM 0 HG2 GLU B 118 14.933 -13.257 -0.082 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.525 -12.448 -0.740 1.00 15.00 H new ATOM 1652 N ALA B 119 13.507 -12.121 3.936 1.00 15.00 N ATOM 1653 CA ALA B 119 13.602 -12.974 5.117 1.00 15.00 C ATOM 1654 C ALA B 119 12.223 -13.232 5.722 1.00 15.00 C ATOM 1655 O ALA B 119 11.965 -14.299 6.285 1.00 15.00 O ATOM 1656 CB ALA B 119 14.521 -12.342 6.152 1.00 15.00 C ATOM 0 H ALA B 119 13.815 -11.160 4.083 1.00 15.00 H new ATOM 0 HA ALA B 119 14.021 -13.932 4.809 1.00 15.00 H new ATOM 0 HB1 ALA B 119 14.583 -12.989 7.027 1.00 15.00 H new ATOM 0 HB2 ALA B 119 15.516 -12.213 5.725 1.00 15.00 H new ATOM 0 HB3 ALA B 119 14.124 -11.370 6.446 1.00 15.00 H new ATOM 1662 N ALA B 120 11.343 -12.246 5.597 1.00 15.00 N ATOM 1663 CA ALA B 120 9.993 -12.344 6.131 1.00 15.00 C ATOM 1664 C ALA B 120 9.077 -13.128 5.198 1.00 15.00 C ATOM 1665 O ALA B 120 8.029 -13.617 5.616 1.00 15.00 O ATOM 1666 CB ALA B 120 9.421 -10.954 6.379 1.00 15.00 C ATOM 0 H ALA B 120 11.544 -11.364 5.126 1.00 15.00 H new ATOM 0 HA ALA B 120 10.049 -12.883 7.077 1.00 15.00 H new ATOM 0 HB1 ALA B 120 8.411 -11.042 6.778 1.00 15.00 H new ATOM 0 HB2 ALA B 120 10.049 -10.424 7.095 1.00 15.00 H new ATOM 0 HB3 ALA B 120 9.393 -10.399 5.441 1.00 15.00 H new ATOM 1672 N GLU B 121 9.494 -13.257 3.940 1.00 15.00 N ATOM 1673 CA GLU B 121 8.722 -13.965 2.915 1.00 15.00 C ATOM 1674 C GLU B 121 8.299 -15.363 3.371 1.00 15.00 C ATOM 1675 O GLU B 121 7.278 -15.886 2.918 1.00 15.00 O ATOM 1676 CB GLU B 121 9.541 -14.057 1.621 1.00 15.00 C ATOM 1677 CG GLU B 121 8.714 -14.419 0.398 1.00 15.00 C ATOM 1678 CD GLU B 121 9.346 -13.943 -0.894 1.00 15.00 C ATOM 1679 OE1 GLU B 121 9.192 -12.751 -1.228 1.00 15.00 O ATOM 1680 OE2 GLU B 121 9.989 -14.758 -1.588 1.00 15.00 O1- ATOM 0 H GLU B 121 10.376 -12.874 3.600 1.00 15.00 H new ATOM 0 HA GLU B 121 7.810 -13.395 2.736 1.00 15.00 H new ATOM 0 HB2 GLU B 121 10.034 -13.101 1.445 1.00 15.00 H new ATOM 0 HB3 GLU B 121 10.326 -14.802 1.751 1.00 15.00 H new ATOM 0 HG2 GLU B 121 8.585 -15.501 0.358 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.720 -13.983 0.494 1.00 15.00 H new ATOM 1687 N GLU B 122 9.080 -15.957 4.269 1.00 15.00 N ATOM 1688 CA GLU B 122 8.782 -17.287 4.786 1.00 15.00 C ATOM 1689 C GLU B 122 7.406 -17.329 5.459 1.00 15.00 C ATOM 1690 O GLU B 122 6.507 -18.040 5.004 1.00 15.00 O ATOM 1691 CB GLU B 122 9.862 -17.719 5.777 1.00 15.00 C ATOM 1692 CG GLU B 122 9.546 -19.023 6.490 1.00 15.00 C ATOM 1693 CD GLU B 122 10.220 -19.120 7.838 1.00 15.00 C ATOM 1694 OE1 GLU B 122 9.757 -18.457 8.791 1.00 15.00 O ATOM 1695 OE2 GLU B 122 11.214 -19.861 7.958 1.00 15.00 O1- ATOM 0 H GLU B 122 9.926 -15.536 4.654 1.00 15.00 H new ATOM 0 HA GLU B 122 8.767 -17.979 3.944 1.00 15.00 H new ATOM 0 HB2 GLU B 122 10.809 -17.824 5.247 1.00 15.00 H new ATOM 0 HB3 GLU B 122 9.998 -16.932 6.519 1.00 15.00 H new ATOM 0 HG2 GLU B 122 8.467 -19.111 6.619 1.00 15.00 H new ATOM 0 HG3 GLU B 122 9.862 -19.860 5.868 1.00 15.00 H new ATOM 1702 N ALA B 123 7.239 -16.565 6.536 1.00 15.00 N ATOM 1703 CA ALA B 123 5.970 -16.542 7.258 1.00 15.00 C ATOM 1704 C ALA B 123 5.707 -15.182 7.897 1.00 15.00 C ATOM 1705 O ALA B 123 4.555 -14.763 8.033 1.00 15.00 O ATOM 1706 CB ALA B 123 5.953 -17.632 8.317 1.00 15.00 C ATOM 0 H ALA B 123 7.960 -15.958 6.925 1.00 15.00 H new ATOM 0 HA ALA B 123 5.174 -16.726 6.537 1.00 15.00 H new ATOM 0 HB1 ALA B 123 5.003 -17.607 8.850 1.00 15.00 H new ATOM 0 HB2 ALA B 123 6.076 -18.604 7.840 1.00 15.00 H new ATOM 0 HB3 ALA B 123 6.768 -17.468 9.021 1.00 15.00 H new ATOM 1712 N GLU B 124 6.779 -14.482 8.261 1.00 15.00 N ATOM 1713 CA GLU B 124 6.675 -13.166 8.894 1.00 15.00 C ATOM 1714 C GLU B 124 6.067 -12.128 7.951 1.00 15.00 C ATOM 1715 O GLU B 124 5.884 -10.972 8.330 1.00 15.00 O ATOM 1716 CB GLU B 124 8.048 -12.689 9.367 1.00 15.00 C ATOM 1717 CG GLU B 124 8.380 -13.101 10.792 1.00 15.00 C ATOM 1718 CD GLU B 124 8.546 -11.910 11.714 1.00 15.00 C ATOM 1719 OE1 GLU B 124 7.616 -11.617 12.490 1.00 15.00 O ATOM 1720 OE2 GLU B 124 9.610 -11.255 11.661 1.00 15.00 O1- ATOM 0 H GLU B 124 7.737 -14.806 8.128 1.00 15.00 H new ATOM 0 HA GLU B 124 6.012 -13.273 9.752 1.00 15.00 H new ATOM 0 HB2 GLU B 124 8.811 -13.084 8.697 1.00 15.00 H new ATOM 0 HB3 GLU B 124 8.091 -11.602 9.293 1.00 15.00 H new ATOM 0 HG2 GLU B 124 7.589 -13.746 11.175 1.00 15.00 H new ATOM 0 HG3 GLU B 124 9.298 -13.688 10.793 1.00 15.00 H new ATOM 1727 N LEU B 125 5.760 -12.547 6.725 1.00 15.00 N ATOM 1728 CA LEU B 125 5.160 -11.669 5.729 1.00 15.00 C ATOM 1729 C LEU B 125 3.818 -11.142 6.228 1.00 15.00 C ATOM 1730 O LEU B 125 3.346 -10.089 5.792 1.00 15.00 O ATOM 1731 CB LEU B 125 4.978 -12.414 4.401 1.00 15.00 C ATOM 1732 CG LEU B 125 4.781 -11.526 3.168 1.00 15.00 C ATOM 1733 CD1 LEU B 125 6.055 -10.758 2.848 1.00 15.00 C ATOM 1734 CD2 LEU B 125 4.345 -12.364 1.977 1.00 15.00 C ATOM 0 H LEU B 125 5.920 -13.500 6.398 1.00 15.00 H new ATOM 0 HA LEU B 125 5.828 -10.823 5.564 1.00 15.00 H new ATOM 0 HB2 LEU B 125 5.851 -13.046 4.236 1.00 15.00 H new ATOM 0 HB3 LEU B 125 4.117 -13.077 4.491 1.00 15.00 H new ATOM 0 HG LEU B 125 3.996 -10.802 3.387 1.00 15.00 H new ATOM 0 HD11 LEU B 125 5.893 -10.134 1.969 1.00 15.00 H new ATOM 0 HD12 LEU B 125 6.323 -10.128 3.696 1.00 15.00 H new ATOM 0 HD13 LEU B 125 6.864 -11.461 2.649 1.00 15.00 H new ATOM 0 HD21 LEU B 125 4.209 -11.719 1.109 1.00 15.00 H new ATOM 0 HD22 LEU B 125 5.108 -13.111 1.759 1.00 15.00 H new ATOM 0 HD23 LEU B 125 3.404 -12.864 2.209 1.00 15.00 H new ATOM 1746 N GLU B 126 3.210 -11.887 7.149 1.00 15.00 N ATOM 1747 CA GLU B 126 1.945 -11.489 7.740 1.00 15.00 C ATOM 1748 C GLU B 126 2.137 -10.215 8.553 1.00 15.00 C ATOM 1749 O GLU B 126 1.343 -9.279 8.466 1.00 15.00 O ATOM 1750 CB GLU B 126 1.387 -12.601 8.625 1.00 15.00 C ATOM 1751 CG GLU B 126 0.716 -13.719 7.843 1.00 15.00 C ATOM 1752 CD GLU B 126 -0.386 -13.212 6.933 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.479 -12.872 7.439 1.00 15.00 O ATOM 1754 OE2 GLU B 126 -0.164 -13.145 5.705 1.00 15.00 O1- ATOM 0 H GLU B 126 3.578 -12.771 7.499 1.00 15.00 H new ATOM 0 HA GLU B 126 1.229 -11.301 6.940 1.00 15.00 H new ATOM 0 HB2 GLU B 126 2.197 -13.021 9.221 1.00 15.00 H new ATOM 0 HB3 GLU B 126 0.667 -12.173 9.322 1.00 15.00 H new ATOM 0 HG2 GLU B 126 1.464 -14.240 7.246 1.00 15.00 H new ATOM 0 HG3 GLU B 126 0.301 -14.447 8.540 1.00 15.00 H new ATOM 1761 N ARG B 127 3.214 -10.178 9.325 1.00 15.00 N ATOM 1762 CA ARG B 127 3.523 -9.019 10.150 1.00 15.00 C ATOM 1763 C ARG B 127 4.198 -7.939 9.308 1.00 15.00 C ATOM 1764 O ARG B 127 4.108 -6.754 9.614 1.00 15.00 O ATOM 1765 CB ARG B 127 4.424 -9.421 11.320 1.00 15.00 C ATOM 1766 CG ARG B 127 4.624 -8.314 12.341 1.00 15.00 C ATOM 1767 CD ARG B 127 5.692 -8.673 13.364 1.00 15.00 C ATOM 1768 NE ARG B 127 6.961 -9.032 12.729 1.00 15.00 N ATOM 1769 CZ ARG B 127 7.868 -8.148 12.309 1.00 15.00 C ATOM 1770 NH1 ARG B 127 7.648 -6.846 12.448 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 8.997 -8.571 11.755 1.00 15.00 N ATOM 0 H ARG B 127 3.889 -10.939 9.397 1.00 15.00 H new ATOM 0 HA ARG B 127 2.592 -8.619 10.552 1.00 15.00 H new ATOM 0 HB2 ARG B 127 3.993 -10.290 11.818 1.00 15.00 H new ATOM 0 HB3 ARG B 127 5.396 -9.726 10.932 1.00 15.00 H new ATOM 0 HG2 ARG B 127 4.906 -7.394 11.829 1.00 15.00 H new ATOM 0 HG3 ARG B 127 3.682 -8.118 12.853 1.00 15.00 H new ATOM 0 HD2 ARG B 127 5.849 -7.829 14.036 1.00 15.00 H new ATOM 0 HD3 ARG B 127 5.344 -9.506 13.975 1.00 15.00 H new ATOM 0 HE ARG B 127 7.165 -10.023 12.599 1.00 15.00 H new ATOM 0 HH11 ARG B 127 6.783 -6.518 12.877 1.00 15.00 H new ATOM 0 HH12 ARG B 127 8.344 -6.174 12.126 1.00 15.00 H new ATOM 0 HH21 ARG B 127 9.171 -9.571 11.651 1.00 15.00 H new ATOM 0 HH22 ARG B 127 9.691 -7.896 11.433 1.00 15.00 H new ATOM 1785 N LEU B 128 4.862 -8.374 8.239 1.00 15.00 N ATOM 1786 CA LEU B 128 5.567 -7.482 7.317 1.00 15.00 C ATOM 1787 C LEU B 128 4.636 -6.388 6.790 1.00 15.00 C ATOM 1788 O LEU B 128 4.962 -5.201 6.850 1.00 15.00 O ATOM 1789 CB LEU B 128 6.149 -8.319 6.159 1.00 15.00 C ATOM 1790 CG LEU B 128 7.034 -7.590 5.131 1.00 15.00 C ATOM 1791 CD1 LEU B 128 6.204 -7.098 3.949 1.00 15.00 C ATOM 1792 CD2 LEU B 128 7.791 -6.435 5.772 1.00 15.00 C ATOM 0 H LEU B 128 4.927 -9.360 7.986 1.00 15.00 H new ATOM 0 HA LEU B 128 6.379 -6.984 7.847 1.00 15.00 H new ATOM 0 HB2 LEU B 128 6.734 -9.131 6.591 1.00 15.00 H new ATOM 0 HB3 LEU B 128 5.317 -8.776 5.623 1.00 15.00 H new ATOM 0 HG LEU B 128 7.767 -8.307 4.761 1.00 15.00 H new ATOM 0 HD11 LEU B 128 6.852 -6.587 3.237 1.00 15.00 H new ATOM 0 HD12 LEU B 128 5.727 -7.948 3.460 1.00 15.00 H new ATOM 0 HD13 LEU B 128 5.439 -6.408 4.304 1.00 15.00 H new ATOM 0 HD21 LEU B 128 8.406 -5.941 5.020 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.081 -5.720 6.186 1.00 15.00 H new ATOM 0 HD23 LEU B 128 8.429 -6.816 6.569 1.00 15.00 H new ATOM 1804 N LYS B 129 3.470 -6.787 6.292 1.00 15.00 N ATOM 1805 CA LYS B 129 2.508 -5.827 5.759 1.00 15.00 C ATOM 1806 C LYS B 129 1.928 -4.942 6.865 1.00 15.00 C ATOM 1807 O LYS B 129 1.705 -3.749 6.656 1.00 15.00 O ATOM 1808 CB LYS B 129 1.389 -6.540 4.997 1.00 15.00 C ATOM 1809 CG LYS B 129 0.860 -7.776 5.697 1.00 15.00 C ATOM 1810 CD LYS B 129 -0.005 -8.615 4.776 1.00 15.00 C ATOM 1811 CE LYS B 129 -0.629 -9.777 5.527 1.00 15.00 C ATOM 1812 NZ LYS B 129 -1.041 -10.879 4.619 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.169 -7.761 6.246 1.00 15.00 H new ATOM 0 HA LYS B 129 3.042 -5.182 5.061 1.00 15.00 H new ATOM 0 HB2 LYS B 129 0.566 -5.842 4.842 1.00 15.00 H new ATOM 0 HB3 LYS B 129 1.757 -6.823 4.011 1.00 15.00 H new ATOM 0 HG2 LYS B 129 1.696 -8.376 6.058 1.00 15.00 H new ATOM 0 HG3 LYS B 129 0.280 -7.479 6.571 1.00 15.00 H new ATOM 0 HD2 LYS B 129 -0.789 -7.994 4.342 1.00 15.00 H new ATOM 0 HD3 LYS B 129 0.597 -8.992 3.949 1.00 15.00 H new ATOM 0 HE2 LYS B 129 0.084 -10.159 6.258 1.00 15.00 H new ATOM 0 HE3 LYS B 129 -1.497 -9.423 6.083 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -0.896 -11.793 5.094 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -2.046 -10.771 4.376 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -0.470 -10.845 3.751 1.00 15.00 H new ATOM 1826 N SER B 130 1.697 -5.519 8.041 1.00 15.00 N ATOM 1827 CA SER B 130 1.159 -4.756 9.164 1.00 15.00 C ATOM 1828 C SER B 130 2.183 -3.724 9.644 1.00 15.00 C ATOM 1829 O SER B 130 1.839 -2.590 9.991 1.00 15.00 O ATOM 1830 CB SER B 130 0.777 -5.700 10.306 1.00 15.00 C ATOM 1831 OG SER B 130 0.185 -6.888 9.804 1.00 15.00 O ATOM 0 H SER B 130 1.872 -6.504 8.241 1.00 15.00 H new ATOM 0 HA SER B 130 0.265 -4.228 8.834 1.00 15.00 H new ATOM 0 HB2 SER B 130 1.663 -5.949 10.889 1.00 15.00 H new ATOM 0 HB3 SER B 130 0.082 -5.199 10.980 1.00 15.00 H new ATOM 0 HG SER B 130 -0.560 -6.657 9.211 1.00 15.00 H new ATOM 1837 N GLU B 131 3.449 -4.127 9.642 1.00 15.00 N ATOM 1838 CA GLU B 131 4.538 -3.258 10.057 1.00 15.00 C ATOM 1839 C GLU B 131 4.672 -2.091 9.087 1.00 15.00 C ATOM 1840 O GLU B 131 5.023 -0.978 9.481 1.00 15.00 O ATOM 1841 CB GLU B 131 5.848 -4.049 10.115 1.00 15.00 C ATOM 1842 CG GLU B 131 6.940 -3.370 10.919 1.00 15.00 C ATOM 1843 CD GLU B 131 8.307 -3.955 10.645 1.00 15.00 C ATOM 1844 OE1 GLU B 131 8.836 -4.684 11.515 1.00 15.00 O ATOM 1845 OE2 GLU B 131 8.868 -3.685 9.563 1.00 15.00 O1- ATOM 0 H GLU B 131 3.745 -5.060 9.354 1.00 15.00 H new ATOM 0 HA GLU B 131 4.320 -2.867 11.051 1.00 15.00 H new ATOM 0 HB2 GLU B 131 5.650 -5.030 10.546 1.00 15.00 H new ATOM 0 HB3 GLU B 131 6.207 -4.214 9.099 1.00 15.00 H new ATOM 0 HG2 GLU B 131 6.950 -2.305 10.686 1.00 15.00 H new ATOM 0 HG3 GLU B 131 6.715 -3.461 11.982 1.00 15.00 H new ATOM 1852 N ARG B 132 4.363 -2.356 7.819 1.00 15.00 N ATOM 1853 CA ARG B 132 4.435 -1.348 6.768 1.00 15.00 C ATOM 1854 C ARG B 132 3.617 -0.114 7.138 1.00 15.00 C ATOM 1855 O ARG B 132 4.068 1.016 6.955 1.00 15.00 O ATOM 1856 CB ARG B 132 3.916 -1.928 5.453 1.00 15.00 C ATOM 1857 CG ARG B 132 4.836 -1.699 4.265 1.00 15.00 C ATOM 1858 CD ARG B 132 4.876 -0.235 3.851 1.00 15.00 C ATOM 1859 NE ARG B 132 5.862 0.002 2.799 1.00 15.00 N ATOM 1860 CZ ARG B 132 7.179 0.055 3.002 1.00 15.00 C ATOM 1861 NH1 ARG B 132 7.677 -0.109 4.225 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 8.000 0.253 1.977 1.00 15.00 N ATOM 0 H ARG B 132 4.057 -3.273 7.494 1.00 15.00 H new ATOM 0 HA ARG B 132 5.478 -1.052 6.652 1.00 15.00 H new ATOM 0 HB2 ARG B 132 3.762 -3.000 5.577 1.00 15.00 H new ATOM 0 HB3 ARG B 132 2.943 -1.489 5.234 1.00 15.00 H new ATOM 0 HG2 ARG B 132 5.843 -2.033 4.516 1.00 15.00 H new ATOM 0 HG3 ARG B 132 4.500 -2.305 3.424 1.00 15.00 H new ATOM 0 HD2 ARG B 132 3.890 0.071 3.502 1.00 15.00 H new ATOM 0 HD3 ARG B 132 5.113 0.382 4.718 1.00 15.00 H new ATOM 0 HE ARG B 132 5.521 0.136 1.847 1.00 15.00 H new ATOM 0 HH11 ARG B 132 7.051 -0.276 5.013 1.00 15.00 H new ATOM 0 HH12 ARG B 132 8.685 -0.068 4.375 1.00 15.00 H new ATOM 0 HH21 ARG B 132 7.623 0.364 1.036 1.00 15.00 H new ATOM 0 HH22 ARG B 132 9.007 0.294 2.131 1.00 15.00 H new ATOM 1876 N HIS B 133 2.422 -0.344 7.669 1.00 15.00 N ATOM 1877 CA HIS B 133 1.526 0.739 8.066 1.00 15.00 C ATOM 1878 C HIS B 133 2.170 1.678 9.087 1.00 15.00 C ATOM 1879 O HIS B 133 2.214 2.893 8.885 1.00 15.00 O ATOM 1880 CB HIS B 133 0.235 0.167 8.653 1.00 15.00 C ATOM 1881 CG HIS B 133 -0.736 -0.324 7.624 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -0.549 -1.520 6.974 1.00 15.00 N ATOM 1883 CD2 HIS B 133 -1.888 0.242 7.183 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -1.580 -1.657 6.159 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -2.415 -0.614 6.253 1.00 15.00 N ATOM 0 H HIS B 133 2.048 -1.278 7.836 1.00 15.00 H new ATOM 0 HA HIS B 133 1.307 1.317 7.168 1.00 15.00 H new ATOM 0 HB2 HIS B 133 0.486 -0.655 9.323 1.00 15.00 H new ATOM 0 HB3 HIS B 133 -0.249 0.934 9.257 1.00 15.00 H new ATOM 0 HD1 HIS B 133 0.228 -2.170 7.096 1.00 15.00 H new ATOM 0 HD2 HIS B 133 -2.308 1.184 7.503 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -1.730 -2.501 5.502 1.00 15.00 H new ATOM 1893 N ASP B 134 2.685 1.111 10.172 1.00 15.00 N ATOM 1894 CA ASP B 134 3.296 1.914 11.233 1.00 15.00 C ATOM 1895 C ASP B 134 4.659 2.467 10.821 1.00 15.00 C ATOM 1896 O ASP B 134 5.070 3.532 11.277 1.00 15.00 O ATOM 1897 CB ASP B 134 3.439 1.094 12.521 1.00 15.00 C ATOM 1898 CG ASP B 134 3.756 1.966 13.726 1.00 15.00 C ATOM 1899 OD1 ASP B 134 4.878 1.864 14.270 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.888 2.768 14.130 1.00 15.00 O1- ATOM 0 H ASP B 134 2.694 0.105 10.343 1.00 15.00 H new ATOM 0 HA ASP B 134 2.631 2.758 11.414 1.00 15.00 H new ATOM 0 HB2 ASP B 134 2.515 0.546 12.705 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.229 0.354 12.393 1.00 15.00 H new ATOM 1905 N HIS B 135 5.354 1.753 9.948 1.00 15.00 N ATOM 1906 CA HIS B 135 6.675 2.185 9.503 1.00 15.00 C ATOM 1907 C HIS B 135 6.601 3.305 8.467 1.00 15.00 C ATOM 1908 O HIS B 135 7.407 4.233 8.504 1.00 15.00 O ATOM 1909 CB HIS B 135 7.466 1.007 8.935 1.00 15.00 C ATOM 1910 CG HIS B 135 8.389 0.374 9.932 1.00 15.00 C ATOM 1911 ND1 HIS B 135 9.738 0.256 9.687 1.00 15.00 N ATOM 1912 CD2 HIS B 135 8.112 -0.159 11.148 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.247 -0.343 10.750 1.00 15.00 C ATOM 1914 NE2 HIS B 135 9.303 -0.611 11.658 1.00 15.00 N ATOM 0 H HIS B 135 5.030 0.878 9.535 1.00 15.00 H new ATOM 0 HA HIS B 135 7.189 2.578 10.380 1.00 15.00 H new ATOM 0 HB2 HIS B 135 6.769 0.254 8.567 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.047 1.348 8.078 1.00 15.00 H new ATOM 0 HD2 HIS B 135 7.143 -0.216 11.622 1.00 15.00 H new ATOM 0 HE1 HIS B 135 11.293 -0.585 10.870 1.00 15.00 H new ATOM 0 HE2 HIS B 135 9.442 -1.066 12.560 1.00 15.00 H new ATOM 1922 N ASP B 136 5.633 3.231 7.561 1.00 15.00 N ATOM 1923 CA ASP B 136 5.495 4.237 6.506 1.00 15.00 C ATOM 1924 C ASP B 136 5.207 5.623 7.076 1.00 15.00 C ATOM 1925 O ASP B 136 5.814 6.608 6.652 1.00 15.00 O ATOM 1926 CB ASP B 136 4.400 3.851 5.520 1.00 15.00 C ATOM 1927 CG ASP B 136 4.709 4.315 4.111 1.00 15.00 C ATOM 1928 OD1 ASP B 136 4.994 3.459 3.250 1.00 15.00 O ATOM 1929 OD2 ASP B 136 4.682 5.537 3.857 1.00 15.00 O1- ATOM 0 H ASP B 136 4.933 2.490 7.532 1.00 15.00 H new ATOM 0 HA ASP B 136 6.450 4.275 5.982 1.00 15.00 H new ATOM 0 HB2 ASP B 136 4.274 2.768 5.525 1.00 15.00 H new ATOM 0 HB3 ASP B 136 3.453 4.283 5.844 1.00 15.00 H new ATOM 1934 N LYS B 137 4.297 5.696 8.047 1.00 15.00 N ATOM 1935 CA LYS B 137 3.947 6.975 8.666 1.00 15.00 C ATOM 1936 C LYS B 137 5.167 7.594 9.355 1.00 15.00 C ATOM 1937 O LYS B 137 5.253 8.812 9.519 1.00 15.00 O ATOM 1938 CB LYS B 137 2.779 6.810 9.656 1.00 15.00 C ATOM 1939 CG LYS B 137 3.012 5.764 10.736 1.00 15.00 C ATOM 1940 CD LYS B 137 1.775 5.555 11.604 1.00 15.00 C ATOM 1941 CE LYS B 137 0.669 4.831 10.849 1.00 15.00 C ATOM 1942 NZ LYS B 137 -0.459 4.438 11.738 1.00 15.00 N1+ ATOM 0 H LYS B 137 3.792 4.892 8.420 1.00 15.00 H new ATOM 0 HA LYS B 137 3.621 7.654 7.878 1.00 15.00 H new ATOM 0 HB2 LYS B 137 2.585 7.770 10.134 1.00 15.00 H new ATOM 0 HB3 LYS B 137 1.881 6.545 9.098 1.00 15.00 H new ATOM 0 HG2 LYS B 137 3.293 4.819 10.271 1.00 15.00 H new ATOM 0 HG3 LYS B 137 3.848 6.071 11.364 1.00 15.00 H new ATOM 0 HD2 LYS B 137 2.046 4.981 12.490 1.00 15.00 H new ATOM 0 HD3 LYS B 137 1.407 6.521 11.950 1.00 15.00 H new ATOM 0 HE2 LYS B 137 0.294 5.475 10.053 1.00 15.00 H new ATOM 0 HE3 LYS B 137 1.080 3.941 10.372 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 -1.187 3.949 11.179 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 -0.109 3.802 12.483 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 -0.870 5.288 12.174 1.00 15.00 H new ATOM 1956 N LYS B 138 6.111 6.747 9.752 1.00 15.00 N ATOM 1957 CA LYS B 138 7.340 7.206 10.391 1.00 15.00 C ATOM 1958 C LYS B 138 8.369 7.573 9.324 1.00 15.00 C ATOM 1959 O LYS B 138 9.052 8.594 9.422 1.00 15.00 O ATOM 1960 CB LYS B 138 7.898 6.116 11.308 1.00 15.00 C ATOM 1961 CG LYS B 138 9.255 6.446 11.914 1.00 15.00 C ATOM 1962 CD LYS B 138 9.149 7.510 12.990 1.00 15.00 C ATOM 1963 CE LYS B 138 10.511 7.834 13.582 1.00 15.00 C ATOM 1964 NZ LYS B 138 11.100 6.675 14.309 1.00 15.00 N1+ ATOM 0 H LYS B 138 6.048 5.735 9.642 1.00 15.00 H new ATOM 0 HA LYS B 138 7.120 8.088 10.993 1.00 15.00 H new ATOM 0 HB2 LYS B 138 7.187 5.935 12.114 1.00 15.00 H new ATOM 0 HB3 LYS B 138 7.981 5.188 10.742 1.00 15.00 H new ATOM 0 HG2 LYS B 138 9.693 5.542 12.338 1.00 15.00 H new ATOM 0 HG3 LYS B 138 9.930 6.789 11.129 1.00 15.00 H new ATOM 0 HD2 LYS B 138 8.709 8.414 12.569 1.00 15.00 H new ATOM 0 HD3 LYS B 138 8.479 7.167 13.779 1.00 15.00 H new ATOM 0 HE2 LYS B 138 11.187 8.142 12.785 1.00 15.00 H new ATOM 0 HE3 LYS B 138 10.417 8.679 14.264 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 11.941 6.987 14.836 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 10.399 6.289 14.973 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 11.372 5.939 13.626 1.00 15.00 H new ATOM 1978 N GLU B 139 8.454 6.729 8.303 1.00 15.00 N ATOM 1979 CA GLU B 139 9.372 6.922 7.191 1.00 15.00 C ATOM 1980 C GLU B 139 9.098 8.255 6.502 1.00 15.00 C ATOM 1981 O GLU B 139 10.023 8.976 6.130 1.00 15.00 O ATOM 1982 CB GLU B 139 9.219 5.771 6.193 1.00 15.00 C ATOM 1983 CG GLU B 139 10.535 5.159 5.739 1.00 15.00 C ATOM 1984 CD GLU B 139 11.267 6.025 4.738 1.00 15.00 C ATOM 1985 OE1 GLU B 139 10.795 6.144 3.589 1.00 15.00 O ATOM 1986 OE2 GLU B 139 12.335 6.572 5.090 1.00 15.00 O1- ATOM 0 H GLU B 139 7.884 5.887 8.224 1.00 15.00 H new ATOM 0 HA GLU B 139 10.393 6.934 7.571 1.00 15.00 H new ATOM 0 HB2 GLU B 139 8.606 4.992 6.646 1.00 15.00 H new ATOM 0 HB3 GLU B 139 8.679 6.133 5.318 1.00 15.00 H new ATOM 0 HG2 GLU B 139 11.173 4.995 6.607 1.00 15.00 H new ATOM 0 HG3 GLU B 139 10.343 4.182 5.296 1.00 15.00 H new ATOM 1993 N ALA B 140 7.816 8.582 6.355 1.00 15.00 N ATOM 1994 CA ALA B 140 7.401 9.829 5.722 1.00 15.00 C ATOM 1995 C ALA B 140 7.902 11.041 6.503 1.00 15.00 C ATOM 1996 O ALA B 140 8.225 12.082 5.925 1.00 15.00 O ATOM 1997 CB ALA B 140 5.887 9.870 5.594 1.00 15.00 C ATOM 0 H ALA B 140 7.043 7.995 6.669 1.00 15.00 H new ATOM 0 HA ALA B 140 7.844 9.868 4.727 1.00 15.00 H new ATOM 0 HB1 ALA B 140 5.587 10.805 5.120 1.00 15.00 H new ATOM 0 HB2 ALA B 140 5.550 9.031 4.986 1.00 15.00 H new ATOM 0 HB3 ALA B 140 5.436 9.804 6.584 1.00 15.00 H new ATOM 2003 N GLU B 141 7.975 10.898 7.819 1.00 15.00 N ATOM 2004 CA GLU B 141 8.442 11.975 8.677 1.00 15.00 C ATOM 2005 C GLU B 141 9.946 12.155 8.524 1.00 15.00 C ATOM 2006 O GLU B 141 10.454 13.275 8.516 1.00 15.00 O ATOM 2007 CB GLU B 141 8.096 11.681 10.134 1.00 15.00 C ATOM 2008 CG GLU B 141 7.590 12.897 10.884 1.00 15.00 C ATOM 2009 CD GLU B 141 6.409 13.542 10.193 1.00 15.00 C ATOM 2010 OE1 GLU B 141 6.614 14.508 9.427 1.00 15.00 O ATOM 2011 OE2 GLU B 141 5.271 13.083 10.409 1.00 15.00 O1- ATOM 0 H GLU B 141 7.716 10.045 8.315 1.00 15.00 H new ATOM 0 HA GLU B 141 7.944 12.897 8.378 1.00 15.00 H new ATOM 0 HB2 GLU B 141 7.338 10.898 10.170 1.00 15.00 H new ATOM 0 HB3 GLU B 141 8.980 11.292 10.639 1.00 15.00 H new ATOM 0 HG2 GLU B 141 7.303 12.606 11.894 1.00 15.00 H new ATOM 0 HG3 GLU B 141 8.396 13.625 10.979 1.00 15.00 H new ATOM 2018 N ARG B 142 10.650 11.041 8.392 1.00 15.00 N ATOM 2019 CA ARG B 142 12.095 11.067 8.233 1.00 15.00 C ATOM 2020 C ARG B 142 12.469 11.594 6.850 1.00 15.00 C ATOM 2021 O ARG B 142 13.305 12.489 6.719 1.00 15.00 O ATOM 2022 CB ARG B 142 12.672 9.664 8.442 1.00 15.00 C ATOM 2023 CG ARG B 142 14.188 9.609 8.351 1.00 15.00 C ATOM 2024 CD ARG B 142 14.709 8.194 8.545 1.00 15.00 C ATOM 2025 NE ARG B 142 14.263 7.291 7.484 1.00 15.00 N ATOM 2026 CZ ARG B 142 14.928 6.198 7.103 1.00 15.00 C ATOM 2027 NH1 ARG B 142 16.069 5.859 7.689 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 14.446 5.448 6.131 1.00 15.00 N ATOM 0 H ARG B 142 10.242 10.106 8.392 1.00 15.00 H new ATOM 0 HA ARG B 142 12.518 11.736 8.983 1.00 15.00 H new ATOM 0 HB2 ARG B 142 12.362 9.295 9.419 1.00 15.00 H new ATOM 0 HB3 ARG B 142 12.247 8.991 7.697 1.00 15.00 H new ATOM 0 HG2 ARG B 142 14.509 9.985 7.380 1.00 15.00 H new ATOM 0 HG3 ARG B 142 14.622 10.264 9.106 1.00 15.00 H new ATOM 0 HD2 ARG B 142 15.799 8.210 8.572 1.00 15.00 H new ATOM 0 HD3 ARG B 142 14.372 7.813 9.509 1.00 15.00 H new ATOM 0 HE ARG B 142 13.389 7.510 7.005 1.00 15.00 H new ATOM 0 HH11 ARG B 142 16.448 6.436 8.440 1.00 15.00 H new ATOM 0 HH12 ARG B 142 16.567 5.021 7.389 1.00 15.00 H new ATOM 0 HH21 ARG B 142 13.570 5.704 5.675 1.00 15.00 H new ATOM 0 HH22 ARG B 142 14.949 4.612 5.835 1.00 15.00 H new ATOM 2042 N LYS B 143 11.812 11.058 5.827 1.00 15.00 N ATOM 2043 CA LYS B 143 12.071 11.446 4.442 1.00 15.00 C ATOM 2044 C LYS B 143 11.796 12.921 4.188 1.00 15.00 C ATOM 2045 O LYS B 143 12.345 13.500 3.250 1.00 15.00 O ATOM 2046 CB LYS B 143 11.236 10.601 3.479 1.00 15.00 C ATOM 2047 CG LYS B 143 11.835 9.235 3.193 1.00 15.00 C ATOM 2048 CD LYS B 143 13.145 9.351 2.428 1.00 15.00 C ATOM 2049 CE LYS B 143 13.793 7.992 2.216 1.00 15.00 C ATOM 2050 NZ LYS B 143 14.261 7.385 3.489 1.00 15.00 N1+ ATOM 0 H LYS B 143 11.089 10.346 5.931 1.00 15.00 H new ATOM 0 HA LYS B 143 13.132 11.269 4.265 1.00 15.00 H new ATOM 0 HB2 LYS B 143 10.237 10.471 3.896 1.00 15.00 H new ATOM 0 HB3 LYS B 143 11.121 11.142 2.540 1.00 15.00 H new ATOM 0 HG2 LYS B 143 12.006 8.707 4.131 1.00 15.00 H new ATOM 0 HG3 LYS B 143 11.127 8.639 2.617 1.00 15.00 H new ATOM 0 HD2 LYS B 143 12.962 9.822 1.462 1.00 15.00 H new ATOM 0 HD3 LYS B 143 13.830 10.000 2.974 1.00 15.00 H new ATOM 0 HE2 LYS B 143 13.078 7.322 1.738 1.00 15.00 H new ATOM 0 HE3 LYS B 143 14.637 8.097 1.534 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 14.755 6.493 3.287 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 14.911 8.040 3.968 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 13.444 7.197 4.105 1.00 15.00 H new ATOM 2064 N ALA B 144 10.955 13.525 5.019 1.00 15.00 N ATOM 2065 CA ALA B 144 10.624 14.935 4.874 1.00 15.00 C ATOM 2066 C ALA B 144 11.879 15.799 4.927 1.00 15.00 C ATOM 2067 O ALA B 144 12.146 16.585 4.018 1.00 15.00 O ATOM 2068 CB ALA B 144 9.641 15.360 5.951 1.00 15.00 C ATOM 0 H ALA B 144 10.491 13.060 5.799 1.00 15.00 H new ATOM 0 HA ALA B 144 10.158 15.076 3.899 1.00 15.00 H new ATOM 0 HB1 ALA B 144 9.403 16.417 5.830 1.00 15.00 H new ATOM 0 HB2 ALA B 144 8.729 14.770 5.864 1.00 15.00 H new ATOM 0 HB3 ALA B 144 10.085 15.199 6.933 1.00 15.00 H new ATOM 2074 N LEU B 145 12.656 15.636 5.988 1.00 15.00 N ATOM 2075 CA LEU B 145 13.881 16.409 6.157 1.00 15.00 C ATOM 2076 C LEU B 145 15.078 15.700 5.528 1.00 15.00 C ATOM 2077 O LEU B 145 16.028 16.348 5.094 1.00 15.00 O ATOM 2078 CB LEU B 145 14.150 16.680 7.642 1.00 15.00 C ATOM 2079 CG LEU B 145 13.559 17.983 8.194 1.00 15.00 C ATOM 2080 CD1 LEU B 145 14.054 19.182 7.397 1.00 15.00 C ATOM 2081 CD2 LEU B 145 12.040 17.931 8.187 1.00 15.00 C ATOM 0 H LEU B 145 12.462 14.978 6.743 1.00 15.00 H new ATOM 0 HA LEU B 145 13.742 17.361 5.644 1.00 15.00 H new ATOM 0 HB2 LEU B 145 13.754 15.847 8.223 1.00 15.00 H new ATOM 0 HB3 LEU B 145 15.228 16.695 7.801 1.00 15.00 H new ATOM 0 HG LEU B 145 13.894 18.095 9.225 1.00 15.00 H new ATOM 0 HD11 LEU B 145 13.622 20.095 7.807 1.00 15.00 H new ATOM 0 HD12 LEU B 145 15.141 19.236 7.458 1.00 15.00 H new ATOM 0 HD13 LEU B 145 13.754 19.075 6.355 1.00 15.00 H new ATOM 0 HD21 LEU B 145 11.642 18.865 8.583 1.00 15.00 H new ATOM 0 HD22 LEU B 145 11.686 17.789 7.166 1.00 15.00 H new ATOM 0 HD23 LEU B 145 11.701 17.101 8.807 1.00 15.00 H new ATOM 2093 N GLU B 146 15.023 14.375 5.469 1.00 15.00 N ATOM 2094 CA GLU B 146 16.113 13.582 4.904 1.00 15.00 C ATOM 2095 C GLU B 146 16.312 13.878 3.419 1.00 15.00 C ATOM 2096 O GLU B 146 17.411 14.236 2.995 1.00 15.00 O ATOM 2097 CB GLU B 146 15.839 12.091 5.113 1.00 15.00 C ATOM 2098 CG GLU B 146 17.009 11.191 4.756 1.00 15.00 C ATOM 2099 CD GLU B 146 16.795 9.760 5.201 1.00 15.00 C ATOM 2100 OE1 GLU B 146 15.987 9.049 4.569 1.00 15.00 O ATOM 2101 OE2 GLU B 146 17.430 9.342 6.191 1.00 15.00 O1- ATOM 0 H GLU B 146 14.234 13.824 5.806 1.00 15.00 H new ATOM 0 HA GLU B 146 17.031 13.857 5.423 1.00 15.00 H new ATOM 0 HB2 GLU B 146 15.571 11.924 6.156 1.00 15.00 H new ATOM 0 HB3 GLU B 146 14.976 11.803 4.512 1.00 15.00 H new ATOM 0 HG2 GLU B 146 17.165 11.213 3.677 1.00 15.00 H new ATOM 0 HG3 GLU B 146 17.917 11.580 5.217 1.00 15.00 H new ATOM 2108 N ASP B 147 15.242 13.757 2.643 1.00 15.00 N ATOM 2109 CA ASP B 147 15.308 13.992 1.201 1.00 15.00 C ATOM 2110 C ASP B 147 15.544 15.466 0.890 1.00 15.00 C ATOM 2111 O ASP B 147 16.104 15.813 -0.149 1.00 15.00 O ATOM 2112 CB ASP B 147 14.017 13.512 0.535 1.00 15.00 C ATOM 2113 CG ASP B 147 14.016 13.722 -0.965 1.00 15.00 C ATOM 2114 OD1 ASP B 147 14.753 13.000 -1.672 1.00 15.00 O ATOM 2115 OD2 ASP B 147 13.264 14.595 -1.446 1.00 15.00 O1- ATOM 0 H ASP B 147 14.317 13.498 2.985 1.00 15.00 H new ATOM 0 HA ASP B 147 16.151 13.427 0.803 1.00 15.00 H new ATOM 0 HB2 ASP B 147 13.876 12.453 0.749 1.00 15.00 H new ATOM 0 HB3 ASP B 147 13.170 14.041 0.972 1.00 15.00 H new ATOM 2120 N LYS B 148 15.128 16.331 1.803 1.00 15.00 N ATOM 2121 CA LYS B 148 15.297 17.764 1.623 1.00 15.00 C ATOM 2122 C LYS B 148 16.743 18.170 1.889 1.00 15.00 C ATOM 2123 O LYS B 148 17.300 19.025 1.196 1.00 15.00 O ATOM 2124 CB LYS B 148 14.363 18.532 2.560 1.00 15.00 C ATOM 2125 CG LYS B 148 14.264 20.013 2.237 1.00 15.00 C ATOM 2126 CD LYS B 148 13.926 20.834 3.470 1.00 15.00 C ATOM 2127 CE LYS B 148 13.839 22.316 3.144 1.00 15.00 C ATOM 2128 NZ LYS B 148 13.799 23.147 4.379 1.00 15.00 N1+ ATOM 0 H LYS B 148 14.671 16.065 2.675 1.00 15.00 H new ATOM 0 HA LYS B 148 15.046 18.010 0.591 1.00 15.00 H new ATOM 0 HB2 LYS B 148 13.368 18.090 2.510 1.00 15.00 H new ATOM 0 HB3 LYS B 148 14.713 18.415 3.586 1.00 15.00 H new ATOM 0 HG2 LYS B 148 15.209 20.358 1.817 1.00 15.00 H new ATOM 0 HG3 LYS B 148 13.501 20.169 1.475 1.00 15.00 H new ATOM 0 HD2 LYS B 148 12.977 20.495 3.885 1.00 15.00 H new ATOM 0 HD3 LYS B 148 14.685 20.672 4.236 1.00 15.00 H new ATOM 0 HE2 LYS B 148 14.696 22.607 2.537 1.00 15.00 H new ATOM 0 HE3 LYS B 148 12.947 22.506 2.548 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 13.740 24.152 4.119 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 12.967 22.886 4.946 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 14.662 22.984 4.935 1.00 15.00 H new ATOM 2142 N LEU B 149 17.344 17.557 2.901 1.00 15.00 N ATOM 2143 CA LEU B 149 18.720 17.852 3.265 1.00 15.00 C ATOM 2144 C LEU B 149 19.680 17.207 2.276 1.00 15.00 C ATOM 2145 O LEU B 149 20.493 17.886 1.650 1.00 15.00 O ATOM 2146 CB LEU B 149 19.018 17.351 4.677 1.00 15.00 C ATOM 2147 CG LEU B 149 20.121 18.106 5.412 1.00 15.00 C ATOM 2148 CD1 LEU B 149 19.579 19.391 6.016 1.00 15.00 C ATOM 2149 CD2 LEU B 149 20.742 17.226 6.485 1.00 15.00 C ATOM 0 H LEU B 149 16.896 16.850 3.485 1.00 15.00 H new ATOM 0 HA LEU B 149 18.857 18.933 3.238 1.00 15.00 H new ATOM 0 HB2 LEU B 149 18.103 17.410 5.267 1.00 15.00 H new ATOM 0 HB3 LEU B 149 19.295 16.298 4.621 1.00 15.00 H new ATOM 0 HG LEU B 149 20.897 18.370 4.694 1.00 15.00 H new ATOM 0 HD11 LEU B 149 20.381 19.915 6.536 1.00 15.00 H new ATOM 0 HD12 LEU B 149 19.184 20.027 5.224 1.00 15.00 H new ATOM 0 HD13 LEU B 149 18.783 19.154 6.722 1.00 15.00 H new ATOM 0 HD21 LEU B 149 21.527 17.779 7.000 1.00 15.00 H new ATOM 0 HD22 LEU B 149 19.976 16.931 7.202 1.00 15.00 H new ATOM 0 HD23 LEU B 149 21.169 16.336 6.023 1.00 15.00 H new ATOM 2161 N ALA B 150 19.568 15.897 2.125 1.00 15.00 N ATOM 2162 CA ALA B 150 20.432 15.162 1.216 1.00 15.00 C ATOM 2163 C ALA B 150 19.843 15.136 -0.186 1.00 15.00 C ATOM 2164 O ALA B 150 18.816 14.502 -0.432 1.00 15.00 O ATOM 2165 CB ALA B 150 20.652 13.745 1.727 1.00 15.00 C ATOM 0 H ALA B 150 18.887 15.321 2.620 1.00 15.00 H new ATOM 0 HA ALA B 150 21.395 15.671 1.171 1.00 15.00 H new ATOM 0 HB1 ALA B 150 21.301 13.206 1.037 1.00 15.00 H new ATOM 0 HB2 ALA B 150 21.120 13.782 2.711 1.00 15.00 H new ATOM 0 HB3 ALA B 150 19.693 13.232 1.800 1.00 15.00 H new ATOM 2171 N ASP B 151 20.489 15.837 -1.102 1.00 15.00 N ATOM 2172 CA ASP B 151 20.036 15.887 -2.486 1.00 15.00 C ATOM 2173 C ASP B 151 20.573 14.691 -3.257 1.00 15.00 C ATOM 2174 O ASP B 151 19.837 14.029 -3.989 1.00 15.00 O ATOM 2175 CB ASP B 151 20.454 17.205 -3.159 1.00 15.00 C ATOM 2176 CG ASP B 151 21.940 17.528 -3.039 1.00 15.00 C ATOM 2177 OD1 ASP B 151 22.629 16.939 -2.172 1.00 15.00 O ATOM 2178 OD2 ASP B 151 22.417 18.401 -3.794 1.00 15.00 O1- ATOM 0 H ASP B 151 21.331 16.381 -0.914 1.00 15.00 H new ATOM 0 HA ASP B 151 18.947 15.845 -2.492 1.00 15.00 H new ATOM 0 HB2 ASP B 151 20.188 17.160 -4.215 1.00 15.00 H new ATOM 0 HB3 ASP B 151 19.880 18.021 -2.720 1.00 15.00 H new ATOM 2183 N TYR B 152 21.854 14.415 -3.083 1.00 15.00 N ATOM 2184 CA TYR B 152 22.496 13.287 -3.739 1.00 15.00 C ATOM 2185 C TYR B 152 22.640 12.136 -2.754 1.00 15.00 C ATOM 2186 O TYR B 152 22.114 11.037 -3.027 1.00 15.00 O ATOM 2187 CB TYR B 152 23.876 13.675 -4.277 1.00 15.00 C ATOM 2188 CG TYR B 152 23.880 14.902 -5.159 1.00 15.00 C ATOM 2189 CD1 TYR B 152 24.805 15.919 -4.954 1.00 15.00 C ATOM 2190 CD2 TYR B 152 22.972 15.041 -6.202 1.00 15.00 C ATOM 2191 CE1 TYR B 152 24.824 17.036 -5.764 1.00 15.00 C ATOM 2192 CE2 TYR B 152 22.984 16.160 -7.012 1.00 15.00 C ATOM 2193 CZ TYR B 152 23.913 17.152 -6.791 1.00 15.00 C ATOM 2194 OH TYR B 152 23.935 18.263 -7.602 1.00 15.00 O ATOM 2195 OXT TYR B 152 23.280 12.343 -1.702 1.00 15.00 O1- ATOM 0 H TYR B 152 22.476 14.962 -2.487 1.00 15.00 H new ATOM 0 HA TYR B 152 21.873 12.980 -4.579 1.00 15.00 H new ATOM 0 HB2 TYR B 152 24.546 13.846 -3.434 1.00 15.00 H new ATOM 0 HB3 TYR B 152 24.282 12.835 -4.841 1.00 15.00 H new ATOM 0 HD1 TYR B 152 25.520 15.834 -4.149 1.00 15.00 H new ATOM 0 HD2 TYR B 152 22.246 14.262 -6.382 1.00 15.00 H new ATOM 0 HE1 TYR B 152 25.551 17.817 -5.593 1.00 15.00 H new ATOM 0 HE2 TYR B 152 22.268 16.256 -7.815 1.00 15.00 H new ATOM 0 HH TYR B 152 23.229 18.189 -8.277 1.00 15.00 H new TER 2205 TYR B 152