USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 485 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 17 HIS : no HD1:sc= -0.321 X(o=-2.3,f=-2.1) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -1.96 K(o=-2.3,f=-3!) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.801 K(o=-0.8,f=-4!) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.745 K(o=-0.74,f=-6.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-5.1!) USER MOD Single : A 23 LYS NZ :NH3+ 138:sc= 1.51 (180deg=0.844) USER MOD Single : A 26 CYS SG : rot 77:sc= -2.57! USER MOD Single : A 29 CYS SG : rot 180:sc= 0.0361 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0664) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -169:sc= -1.01! USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-7.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 57 ASN : amide:sc=-0.00987 X(o=-0.0099,f=-0.011) USER MOD Single : A 60 THR OG1 : rot 61:sc= 0.757 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 21:sc= 0.564 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 7.894 -7.015 9.056 1.00 10.00 N ATOM 12 CA ASP A 2 8.124 -5.631 8.679 1.00 10.00 C ATOM 13 C ASP A 2 7.492 -5.368 7.311 1.00 10.00 C ATOM 14 O ASP A 2 7.307 -4.216 6.919 1.00 10.00 O ATOM 15 CB ASP A 2 9.620 -5.329 8.574 1.00 10.00 C ATOM 16 CG ASP A 2 10.488 -5.973 9.657 1.00 10.00 C ATOM 17 OD1 ASP A 2 10.019 -6.004 10.815 1.00 10.00 O ATOM 18 OD2 ASP A 2 11.599 -6.420 9.302 1.00 10.00 O ATOM 0 HA ASP A 2 7.681 -4.995 9.446 1.00 10.00 H new ATOM 0 HB2 ASP A 2 9.975 -5.663 7.599 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.761 -4.249 8.612 1.00 10.00 H new ATOM 23 N VAL A 3 7.177 -6.455 6.622 1.00 10.00 N ATOM 24 CA VAL A 3 6.569 -6.357 5.305 1.00 10.00 C ATOM 25 C VAL A 3 5.372 -7.306 5.229 1.00 10.00 C ATOM 26 O VAL A 3 5.142 -8.096 6.144 1.00 10.00 O ATOM 27 CB VAL A 3 7.617 -6.626 4.224 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.587 -5.450 4.095 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.369 -7.930 4.501 1.00 10.00 C ATOM 0 H VAL A 3 7.331 -7.408 6.951 1.00 10.00 H new ATOM 0 HA VAL A 3 6.194 -5.348 5.131 1.00 10.00 H new ATOM 0 HB VAL A 3 7.096 -6.736 3.273 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.322 -5.668 3.320 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.034 -4.550 3.828 1.00 10.00 H new ATOM 0 HG13 VAL A 3 9.098 -5.294 5.045 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.108 -8.097 3.717 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.872 -7.862 5.466 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.663 -8.761 4.517 1.00 10.00 H new ATOM 39 N VAL A 4 4.642 -7.199 4.129 1.00 10.00 N ATOM 40 CA VAL A 4 3.475 -8.039 3.920 1.00 10.00 C ATOM 41 C VAL A 4 3.394 -8.436 2.445 1.00 10.00 C ATOM 42 O VAL A 4 2.537 -7.942 1.713 1.00 10.00 O ATOM 43 CB VAL A 4 2.218 -7.322 4.417 1.00 10.00 C ATOM 44 CG1 VAL A 4 0.954 -7.981 3.862 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.183 -7.270 5.945 1.00 10.00 C ATOM 0 H VAL A 4 4.836 -6.543 3.372 1.00 10.00 H new ATOM 0 HA VAL A 4 3.558 -8.959 4.499 1.00 10.00 H new ATOM 0 HB VAL A 4 2.251 -6.297 4.048 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.076 -7.452 4.231 1.00 10.00 H new ATOM 0 HG12 VAL A 4 0.971 -7.941 2.773 1.00 10.00 H new ATOM 0 HG13 VAL A 4 0.914 -9.021 4.186 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.279 -6.755 6.271 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.187 -8.284 6.344 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.058 -6.733 6.311 1.00 10.00 H new ATOM 55 N THR A 5 4.296 -9.323 2.052 1.00 10.00 N ATOM 56 CA THR A 5 4.336 -9.791 0.677 1.00 10.00 C ATOM 57 C THR A 5 2.923 -10.095 0.176 1.00 10.00 C ATOM 58 O THR A 5 2.026 -10.378 0.969 1.00 10.00 O ATOM 59 CB THR A 5 5.275 -10.996 0.616 1.00 10.00 C ATOM 60 OG1 THR A 5 6.554 -10.458 0.944 1.00 10.00 O ATOM 61 CG2 THR A 5 5.450 -11.531 -0.807 1.00 10.00 C ATOM 0 H THR A 5 5.005 -9.730 2.662 1.00 10.00 H new ATOM 0 HA THR A 5 4.725 -9.023 0.008 1.00 10.00 H new ATOM 0 HB THR A 5 4.889 -11.789 1.257 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.223 -11.174 0.929 1.00 10.00 H new ATOM 0 HG21 THR A 5 6.126 -12.386 -0.794 1.00 10.00 H new ATOM 0 HG22 THR A 5 4.482 -11.840 -1.201 1.00 10.00 H new ATOM 0 HG23 THR A 5 5.867 -10.749 -1.441 1.00 10.00 H new ATOM 69 N TYR A 6 2.769 -10.026 -1.138 1.00 10.00 N ATOM 70 CA TYR A 6 1.480 -10.291 -1.756 1.00 10.00 C ATOM 71 C TYR A 6 1.638 -10.593 -3.247 1.00 10.00 C ATOM 72 O TYR A 6 0.819 -10.169 -4.061 1.00 10.00 O ATOM 73 CB TYR A 6 0.663 -9.008 -1.592 1.00 10.00 C ATOM 74 CG TYR A 6 -0.536 -9.149 -0.651 1.00 10.00 C ATOM 75 CD1 TYR A 6 -1.606 -9.942 -1.011 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.545 -8.484 0.559 1.00 10.00 C ATOM 77 CE1 TYR A 6 -2.734 -10.075 -0.125 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.673 -8.617 1.444 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.711 -9.406 1.059 1.00 10.00 C ATOM 80 OH TYR A 6 -3.776 -9.532 1.896 1.00 10.00 O ATOM 0 H TYR A 6 3.515 -9.790 -1.792 1.00 10.00 H new ATOM 0 HA TYR A 6 1.002 -11.154 -1.292 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.315 -8.220 -1.217 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.307 -8.688 -2.571 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.598 -10.463 -1.957 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.293 -7.865 0.841 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.579 -10.692 -0.395 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.694 -8.101 2.393 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.622 -9.000 2.704 1.00 10.00 H new ATOM 90 N GLU A 7 2.697 -11.326 -3.560 1.00 10.00 N ATOM 91 CA GLU A 7 2.973 -11.691 -4.939 1.00 10.00 C ATOM 92 C GLU A 7 1.675 -12.058 -5.661 1.00 10.00 C ATOM 93 O GLU A 7 0.669 -12.360 -5.021 1.00 10.00 O ATOM 94 CB GLU A 7 3.985 -12.836 -5.012 1.00 10.00 C ATOM 95 CG GLU A 7 4.844 -12.731 -6.273 1.00 10.00 C ATOM 96 CD GLU A 7 4.811 -14.036 -7.070 1.00 10.00 C ATOM 97 OE1 GLU A 7 5.456 -15.001 -6.606 1.00 10.00 O ATOM 98 OE2 GLU A 7 4.141 -14.041 -8.126 1.00 10.00 O ATOM 0 H GLU A 7 3.374 -11.677 -2.882 1.00 10.00 H new ATOM 0 HA GLU A 7 3.413 -10.830 -5.441 1.00 10.00 H new ATOM 0 HB2 GLU A 7 4.625 -12.817 -4.130 1.00 10.00 H new ATOM 0 HB3 GLU A 7 3.460 -13.791 -5.004 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.484 -11.912 -6.895 1.00 10.00 H new ATOM 0 HG3 GLU A 7 5.872 -12.495 -5.998 1.00 10.00 H new ATOM 105 N ASN A 8 1.740 -12.021 -6.984 1.00 10.00 N ATOM 106 CA ASN A 8 0.583 -12.348 -7.799 1.00 10.00 C ATOM 107 C ASN A 8 1.052 -12.827 -9.175 1.00 10.00 C ATOM 108 O ASN A 8 2.168 -12.525 -9.594 1.00 10.00 O ATOM 109 CB ASN A 8 -0.309 -11.121 -8.005 1.00 10.00 C ATOM 110 CG ASN A 8 0.532 -9.856 -8.186 1.00 10.00 C ATOM 111 OD1 ASN A 8 0.933 -9.497 -9.282 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.776 -9.202 -7.054 1.00 10.00 N ATOM 0 H ASN A 8 2.576 -11.770 -7.511 1.00 10.00 H new ATOM 0 HA ASN A 8 0.017 -13.125 -7.285 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -0.942 -11.270 -8.880 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.973 -11.001 -7.149 1.00 10.00 H new ATOM 0 HD21 ASN A 8 1.329 -8.345 -7.069 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.410 -9.557 -6.171 1.00 10.00 H new ATOM 119 N LYS A 9 0.175 -13.566 -9.838 1.00 10.00 N ATOM 120 CA LYS A 9 0.485 -14.091 -11.157 1.00 10.00 C ATOM 121 C LYS A 9 1.102 -12.980 -12.011 1.00 10.00 C ATOM 122 O LYS A 9 2.236 -13.103 -12.471 1.00 10.00 O ATOM 123 CB LYS A 9 -0.754 -14.732 -11.784 1.00 10.00 C ATOM 124 CG LYS A 9 -0.726 -16.253 -11.621 1.00 10.00 C ATOM 125 CD LYS A 9 0.153 -16.903 -12.692 1.00 10.00 C ATOM 126 CE LYS A 9 -0.643 -17.154 -13.975 1.00 10.00 C ATOM 127 NZ LYS A 9 -1.228 -18.514 -13.965 1.00 10.00 N ATOM 0 H LYS A 9 -0.750 -13.814 -9.487 1.00 10.00 H new ATOM 0 HA LYS A 9 1.225 -14.888 -11.085 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.652 -14.329 -11.317 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -0.804 -14.477 -12.843 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -0.349 -16.509 -10.631 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.740 -16.648 -11.688 1.00 10.00 H new ATOM 0 HD2 LYS A 9 1.005 -16.259 -12.908 1.00 10.00 H new ATOM 0 HD3 LYS A 9 0.553 -17.845 -12.317 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -1.436 -16.412 -14.069 1.00 10.00 H new ATOM 0 HE3 LYS A 9 0.007 -17.038 -14.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -1.765 -18.668 -14.843 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -0.466 -19.219 -13.897 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.865 -18.612 -13.148 1.00 10.00 H new ATOM 141 N LYS A 10 0.327 -11.922 -12.196 1.00 10.00 N ATOM 142 CA LYS A 10 0.783 -10.790 -12.986 1.00 10.00 C ATOM 143 C LYS A 10 2.235 -10.472 -12.624 1.00 10.00 C ATOM 144 O LYS A 10 3.145 -10.729 -13.409 1.00 10.00 O ATOM 145 CB LYS A 10 -0.168 -9.603 -12.819 1.00 10.00 C ATOM 146 CG LYS A 10 -1.034 -9.414 -14.067 1.00 10.00 C ATOM 147 CD LYS A 10 -0.365 -8.461 -15.059 1.00 10.00 C ATOM 148 CE LYS A 10 -0.465 -8.999 -16.488 1.00 10.00 C ATOM 149 NZ LYS A 10 0.631 -8.459 -17.323 1.00 10.00 N ATOM 0 H LYS A 10 -0.613 -11.824 -11.813 1.00 10.00 H new ATOM 0 HA LYS A 10 0.766 -11.035 -14.048 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.806 -9.763 -11.950 1.00 10.00 H new ATOM 0 HB3 LYS A 10 0.406 -8.696 -12.630 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -1.206 -10.379 -14.544 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -2.010 -9.021 -13.781 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -0.837 -7.480 -15.002 1.00 10.00 H new ATOM 0 HD3 LYS A 10 0.683 -8.326 -14.790 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -0.419 -10.088 -16.477 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -1.428 -8.725 -16.920 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 0.548 -8.834 -18.289 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 0.569 -7.421 -17.348 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 1.547 -8.742 -16.919 1.00 10.00 H new ATOM 163 N GLY A 11 2.405 -9.918 -11.433 1.00 10.00 N ATOM 164 CA GLY A 11 3.731 -9.561 -10.957 1.00 10.00 C ATOM 165 C GLY A 11 3.853 -9.795 -9.450 1.00 10.00 C ATOM 166 O GLY A 11 4.003 -10.932 -9.005 1.00 10.00 O ATOM 0 H GLY A 11 1.647 -9.708 -10.783 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.481 -10.152 -11.482 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.933 -8.514 -11.184 1.00 10.00 H new ATOM 170 N ASN A 12 3.786 -8.702 -8.705 1.00 10.00 N ATOM 171 CA ASN A 12 3.887 -8.774 -7.257 1.00 10.00 C ATOM 172 C ASN A 12 3.731 -7.370 -6.669 1.00 10.00 C ATOM 173 O ASN A 12 4.232 -6.398 -7.233 1.00 10.00 O ATOM 174 CB ASN A 12 5.249 -9.320 -6.827 1.00 10.00 C ATOM 175 CG ASN A 12 6.355 -8.291 -7.076 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.551 -7.807 -8.179 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.064 -7.988 -5.993 1.00 10.00 N ATOM 0 H ASN A 12 3.663 -7.760 -9.077 1.00 10.00 H new ATOM 0 HA ASN A 12 3.103 -9.439 -6.896 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.222 -9.582 -5.769 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.468 -10.235 -7.377 1.00 10.00 H new ATOM 0 HD21 ASN A 12 7.826 -7.313 -6.055 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.846 -8.431 -5.100 1.00 10.00 H new ATOM 184 N VAL A 13 3.037 -7.309 -5.542 1.00 10.00 N ATOM 185 CA VAL A 13 2.811 -6.040 -4.871 1.00 10.00 C ATOM 186 C VAL A 13 3.238 -6.159 -3.407 1.00 10.00 C ATOM 187 O VAL A 13 2.409 -6.060 -2.504 1.00 10.00 O ATOM 188 CB VAL A 13 1.350 -5.614 -5.035 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.406 -6.655 -4.432 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.109 -4.234 -4.421 1.00 10.00 C ATOM 0 H VAL A 13 2.624 -8.117 -5.077 1.00 10.00 H new ATOM 0 HA VAL A 13 3.417 -5.255 -5.324 1.00 10.00 H new ATOM 0 HB VAL A 13 1.138 -5.547 -6.102 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.626 -6.329 -4.561 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.550 -7.611 -4.935 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.620 -6.768 -3.369 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.063 -3.955 -4.551 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.347 -4.262 -3.358 1.00 10.00 H new ATOM 0 HG23 VAL A 13 1.744 -3.500 -4.916 1.00 10.00 H new ATOM 200 N THR A 14 4.532 -6.370 -3.217 1.00 10.00 N ATOM 201 CA THR A 14 5.081 -6.503 -1.878 1.00 10.00 C ATOM 202 C THR A 14 4.784 -5.249 -1.052 1.00 10.00 C ATOM 203 O THR A 14 5.248 -4.160 -1.383 1.00 10.00 O ATOM 204 CB THR A 14 6.575 -6.806 -2.006 1.00 10.00 C ATOM 205 OG1 THR A 14 6.616 -8.127 -2.540 1.00 10.00 O ATOM 206 CG2 THR A 14 7.265 -6.933 -0.646 1.00 10.00 C ATOM 0 H THR A 14 5.217 -6.452 -3.968 1.00 10.00 H new ATOM 0 HA THR A 14 4.613 -7.327 -1.340 1.00 10.00 H new ATOM 0 HB THR A 14 7.057 -6.019 -2.586 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.549 -8.404 -2.657 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.323 -7.148 -0.794 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.158 -5.999 -0.095 1.00 10.00 H new ATOM 0 HG23 THR A 14 6.806 -7.743 -0.079 1.00 10.00 H new ATOM 214 N PHE A 15 4.011 -5.446 0.006 1.00 10.00 N ATOM 215 CA PHE A 15 3.647 -4.345 0.881 1.00 10.00 C ATOM 216 C PHE A 15 4.813 -3.960 1.794 1.00 10.00 C ATOM 217 O PHE A 15 5.924 -4.464 1.633 1.00 10.00 O ATOM 218 CB PHE A 15 2.477 -4.825 1.742 1.00 10.00 C ATOM 219 CG PHE A 15 1.143 -4.894 0.997 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.002 -5.728 -0.069 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.097 -4.123 1.400 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.236 -5.793 -0.761 1.00 10.00 C ATOM 223 CE2 PHE A 15 -1.141 -4.188 0.708 1.00 10.00 C ATOM 224 CZ PHE A 15 -1.281 -5.021 -0.358 1.00 10.00 C ATOM 0 H PHE A 15 3.627 -6.351 0.277 1.00 10.00 H new ATOM 0 HA PHE A 15 3.383 -3.470 0.287 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.712 -5.813 2.138 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.370 -4.157 2.596 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.832 -6.341 -0.389 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.208 -3.461 2.246 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.348 -6.455 -1.607 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.971 -3.576 1.028 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.223 -5.070 -0.885 1.00 10.00 H new ATOM 234 N ASP A 16 4.520 -3.073 2.732 1.00 10.00 N ATOM 235 CA ASP A 16 5.530 -2.615 3.671 1.00 10.00 C ATOM 236 C ASP A 16 4.849 -2.141 4.957 1.00 10.00 C ATOM 237 O ASP A 16 4.084 -1.178 4.939 1.00 10.00 O ATOM 238 CB ASP A 16 6.325 -1.441 3.097 1.00 10.00 C ATOM 239 CG ASP A 16 6.247 -1.288 1.577 1.00 10.00 C ATOM 240 OD1 ASP A 16 5.111 -1.354 1.058 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.322 -1.110 0.968 1.00 10.00 O ATOM 0 H ASP A 16 3.597 -2.659 2.863 1.00 10.00 H new ATOM 0 HA ASP A 16 6.207 -3.446 3.869 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.968 -0.520 3.558 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.371 -1.556 3.382 1.00 10.00 H new ATOM 246 N HIS A 17 5.151 -2.840 6.041 1.00 10.00 N ATOM 247 CA HIS A 17 4.577 -2.504 7.333 1.00 10.00 C ATOM 248 C HIS A 17 5.536 -1.589 8.098 1.00 10.00 C ATOM 249 O HIS A 17 5.153 -0.504 8.531 1.00 10.00 O ATOM 250 CB HIS A 17 4.215 -3.769 8.113 1.00 10.00 C ATOM 251 CG HIS A 17 2.806 -3.771 8.657 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.466 -4.384 9.851 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.657 -3.232 8.159 1.00 10.00 C ATOM 254 CE1 HIS A 17 1.167 -4.214 10.052 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.668 -3.500 9.003 1.00 10.00 N ATOM 0 H HIS A 17 5.786 -3.638 6.051 1.00 10.00 H new ATOM 0 HA HIS A 17 3.645 -1.957 7.190 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.344 -4.634 7.463 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.914 -3.886 8.941 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.567 -2.681 7.235 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.603 -4.577 10.898 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.305 -3.218 8.886 1.00 10.00 H new ATOM 263 N LYS A 18 6.766 -2.062 8.240 1.00 10.00 N ATOM 264 CA LYS A 18 7.783 -1.301 8.946 1.00 10.00 C ATOM 265 C LYS A 18 8.405 -0.281 7.991 1.00 10.00 C ATOM 266 O LYS A 18 8.652 0.862 8.373 1.00 10.00 O ATOM 267 CB LYS A 18 8.804 -2.242 9.591 1.00 10.00 C ATOM 268 CG LYS A 18 9.162 -1.776 11.004 1.00 10.00 C ATOM 269 CD LYS A 18 8.104 -2.224 12.013 1.00 10.00 C ATOM 270 CE LYS A 18 7.794 -1.109 13.014 1.00 10.00 C ATOM 271 NZ LYS A 18 7.427 -1.680 14.329 1.00 10.00 N ATOM 0 H LYS A 18 7.081 -2.962 7.878 1.00 10.00 H new ATOM 0 HA LYS A 18 7.338 -0.739 9.767 1.00 10.00 H new ATOM 0 HB2 LYS A 18 8.399 -3.253 9.629 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.705 -2.283 8.978 1.00 10.00 H new ATOM 0 HG2 LYS A 18 10.134 -2.179 11.288 1.00 10.00 H new ATOM 0 HG3 LYS A 18 9.249 -0.690 11.021 1.00 10.00 H new ATOM 0 HD2 LYS A 18 7.193 -2.509 11.487 1.00 10.00 H new ATOM 0 HD3 LYS A 18 8.455 -3.108 12.545 1.00 10.00 H new ATOM 0 HE2 LYS A 18 8.662 -0.458 13.123 1.00 10.00 H new ATOM 0 HE3 LYS A 18 6.978 -0.492 12.638 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 7.220 -0.910 14.996 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 6.586 -2.282 14.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 8.217 -2.250 14.693 1.00 10.00 H new ATOM 285 N ALA A 19 8.638 -0.730 6.766 1.00 10.00 N ATOM 286 CA ALA A 19 9.226 0.131 5.753 1.00 10.00 C ATOM 287 C ALA A 19 8.397 1.410 5.633 1.00 10.00 C ATOM 288 O ALA A 19 8.924 2.467 5.289 1.00 10.00 O ATOM 289 CB ALA A 19 9.320 -0.630 4.429 1.00 10.00 C ATOM 0 H ALA A 19 8.430 -1.678 6.452 1.00 10.00 H new ATOM 0 HA ALA A 19 10.238 0.420 6.035 1.00 10.00 H new ATOM 0 HB1 ALA A 19 9.761 0.015 3.669 1.00 10.00 H new ATOM 0 HB2 ALA A 19 9.944 -1.514 4.561 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.322 -0.934 4.112 1.00 10.00 H new ATOM 295 N HIS A 20 7.111 1.273 5.924 1.00 10.00 N ATOM 296 CA HIS A 20 6.203 2.406 5.853 1.00 10.00 C ATOM 297 C HIS A 20 6.006 2.994 7.251 1.00 10.00 C ATOM 298 O HIS A 20 6.392 4.134 7.509 1.00 10.00 O ATOM 299 CB HIS A 20 4.885 2.004 5.188 1.00 10.00 C ATOM 300 CG HIS A 20 4.939 1.985 3.679 1.00 10.00 C ATOM 301 ND1 HIS A 20 4.370 0.977 2.921 1.00 10.00 N ATOM 302 CD2 HIS A 20 5.499 2.862 2.796 1.00 10.00 C ATOM 303 CE1 HIS A 20 4.584 1.244 1.641 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.284 2.412 1.566 1.00 10.00 N ATOM 0 H HIS A 20 6.677 0.395 6.209 1.00 10.00 H new ATOM 0 HA HIS A 20 6.636 3.186 5.227 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.598 1.014 5.543 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.104 2.696 5.505 1.00 10.00 H new ATOM 0 HD1 HIS A 20 3.871 0.166 3.286 1.00 10.00 H new ATOM 0 HD2 HIS A 20 6.027 3.768 3.054 1.00 10.00 H new ATOM 0 HE1 HIS A 20 4.261 0.642 0.804 1.00 10.00 H new ATOM 312 N ALA A 21 5.407 2.191 8.118 1.00 10.00 N ATOM 313 CA ALA A 21 5.155 2.618 9.484 1.00 10.00 C ATOM 314 C ALA A 21 6.329 3.470 9.972 1.00 10.00 C ATOM 315 O ALA A 21 6.130 4.463 10.672 1.00 10.00 O ATOM 316 CB ALA A 21 4.918 1.392 10.367 1.00 10.00 C ATOM 0 H ALA A 21 5.089 1.247 7.901 1.00 10.00 H new ATOM 0 HA ALA A 21 4.257 3.234 9.534 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.729 1.713 11.392 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.056 0.837 9.996 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.799 0.751 10.344 1.00 10.00 H new ATOM 322 N GLU A 22 7.524 3.054 9.583 1.00 10.00 N ATOM 323 CA GLU A 22 8.729 3.766 9.972 1.00 10.00 C ATOM 324 C GLU A 22 8.527 5.275 9.816 1.00 10.00 C ATOM 325 O GLU A 22 8.991 6.056 10.646 1.00 10.00 O ATOM 326 CB GLU A 22 9.935 3.288 9.161 1.00 10.00 C ATOM 327 CG GLU A 22 9.740 3.572 7.670 1.00 10.00 C ATOM 328 CD GLU A 22 10.418 4.884 7.269 1.00 10.00 C ATOM 329 OE1 GLU A 22 10.434 5.798 8.122 1.00 10.00 O ATOM 330 OE2 GLU A 22 10.905 4.944 6.119 1.00 10.00 O ATOM 0 H GLU A 22 7.684 2.231 9.001 1.00 10.00 H new ATOM 0 HA GLU A 22 8.931 3.552 11.022 1.00 10.00 H new ATOM 0 HB2 GLU A 22 10.837 3.787 9.515 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.081 2.219 9.315 1.00 10.00 H new ATOM 0 HG2 GLU A 22 10.152 2.751 7.083 1.00 10.00 H new ATOM 0 HG3 GLU A 22 8.675 3.624 7.442 1.00 10.00 H new ATOM 337 N LYS A 23 7.832 5.639 8.749 1.00 10.00 N ATOM 338 CA LYS A 23 7.563 7.040 8.474 1.00 10.00 C ATOM 339 C LYS A 23 6.074 7.321 8.689 1.00 10.00 C ATOM 340 O LYS A 23 5.710 8.198 9.470 1.00 10.00 O ATOM 341 CB LYS A 23 8.065 7.420 7.080 1.00 10.00 C ATOM 342 CG LYS A 23 7.201 6.778 5.992 1.00 10.00 C ATOM 343 CD LYS A 23 7.827 6.972 4.609 1.00 10.00 C ATOM 344 CE LYS A 23 7.894 5.647 3.847 1.00 10.00 C ATOM 345 NZ LYS A 23 9.243 5.052 3.961 1.00 10.00 N ATOM 0 H LYS A 23 7.447 4.988 8.064 1.00 10.00 H new ATOM 0 HA LYS A 23 8.112 7.676 9.169 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.051 8.504 6.968 1.00 10.00 H new ATOM 0 HB3 LYS A 23 9.100 7.100 6.963 1.00 10.00 H new ATOM 0 HG2 LYS A 23 7.084 5.714 6.196 1.00 10.00 H new ATOM 0 HG3 LYS A 23 6.203 7.217 6.008 1.00 10.00 H new ATOM 0 HD2 LYS A 23 7.242 7.694 4.039 1.00 10.00 H new ATOM 0 HD3 LYS A 23 8.830 7.386 4.715 1.00 10.00 H new ATOM 0 HE2 LYS A 23 7.150 4.955 4.242 1.00 10.00 H new ATOM 0 HE3 LYS A 23 7.650 5.811 2.797 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 9.158 4.028 4.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 9.773 5.223 3.083 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 9.747 5.486 4.760 1.00 10.00 H new ATOM 359 N LEU A 24 5.253 6.558 7.981 1.00 10.00 N ATOM 360 CA LEU A 24 3.812 6.713 8.084 1.00 10.00 C ATOM 361 C LEU A 24 3.435 6.979 9.543 1.00 10.00 C ATOM 362 O LEU A 24 3.168 8.119 9.921 1.00 10.00 O ATOM 363 CB LEU A 24 3.099 5.504 7.475 1.00 10.00 C ATOM 364 CG LEU A 24 2.978 5.494 5.950 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.336 5.233 5.295 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.918 4.493 5.490 1.00 10.00 C ATOM 0 H LEU A 24 5.559 5.831 7.334 1.00 10.00 H new ATOM 0 HA LEU A 24 3.479 7.575 7.506 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.628 4.602 7.783 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.097 5.447 7.899 1.00 10.00 H new ATOM 0 HG LEU A 24 2.648 6.481 5.627 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.223 5.231 4.211 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.036 6.016 5.585 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.718 4.266 5.622 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.853 4.506 4.402 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.193 3.493 5.825 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.952 4.765 5.915 1.00 10.00 H new ATOM 378 N GLY A 25 3.426 5.908 10.323 1.00 10.00 N ATOM 379 CA GLY A 25 3.086 6.012 11.732 1.00 10.00 C ATOM 380 C GLY A 25 1.884 5.129 12.073 1.00 10.00 C ATOM 381 O GLY A 25 1.328 5.225 13.166 1.00 10.00 O ATOM 0 H GLY A 25 3.649 4.964 10.006 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.942 5.717 12.339 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.862 7.049 11.980 1.00 10.00 H new ATOM 385 N CYS A 26 1.518 4.289 11.116 1.00 10.00 N ATOM 386 CA CYS A 26 0.392 3.388 11.301 1.00 10.00 C ATOM 387 C CYS A 26 -0.895 4.165 11.016 1.00 10.00 C ATOM 388 O CYS A 26 -1.713 3.738 10.203 1.00 10.00 O ATOM 389 CB CYS A 26 0.386 2.770 12.700 1.00 10.00 C ATOM 390 SG CYS A 26 2.043 2.535 13.442 1.00 10.00 S ATOM 0 H CYS A 26 1.981 4.213 10.210 1.00 10.00 H new ATOM 0 HA CYS A 26 0.474 2.552 10.606 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.205 3.405 13.360 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.116 1.804 12.653 1.00 10.00 H new ATOM 0 HG CYS A 26 2.492 3.677 13.871 1.00 10.00 H new ATOM 395 N ASP A 27 -1.034 5.291 11.700 1.00 10.00 N ATOM 396 CA ASP A 27 -2.207 6.131 11.530 1.00 10.00 C ATOM 397 C ASP A 27 -2.182 6.758 10.134 1.00 10.00 C ATOM 398 O ASP A 27 -2.147 7.981 10.000 1.00 10.00 O ATOM 399 CB ASP A 27 -2.226 7.264 12.558 1.00 10.00 C ATOM 400 CG ASP A 27 -2.224 6.812 14.019 1.00 10.00 C ATOM 401 OD1 ASP A 27 -3.327 6.508 14.521 1.00 10.00 O ATOM 402 OD2 ASP A 27 -1.118 6.782 14.602 1.00 10.00 O ATOM 0 H ASP A 27 -0.353 5.641 12.374 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.091 5.508 11.664 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.358 7.902 12.390 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.110 7.877 12.384 1.00 10.00 H new ATOM 407 N ALA A 28 -2.201 5.893 9.131 1.00 10.00 N ATOM 408 CA ALA A 28 -2.181 6.347 7.751 1.00 10.00 C ATOM 409 C ALA A 28 -3.213 5.557 6.945 1.00 10.00 C ATOM 410 O ALA A 28 -4.019 6.140 6.220 1.00 10.00 O ATOM 411 CB ALA A 28 -0.766 6.202 7.186 1.00 10.00 C ATOM 0 H ALA A 28 -2.230 4.880 9.246 1.00 10.00 H new ATOM 0 HA ALA A 28 -2.450 7.401 7.690 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.751 6.543 6.151 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -0.075 6.804 7.776 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.463 5.156 7.228 1.00 10.00 H new ATOM 417 N CYS A 29 -3.158 4.242 7.098 1.00 10.00 N ATOM 418 CA CYS A 29 -4.078 3.367 6.392 1.00 10.00 C ATOM 419 C CYS A 29 -5.017 2.729 7.419 1.00 10.00 C ATOM 420 O CYS A 29 -6.071 2.207 7.061 1.00 10.00 O ATOM 421 CB CYS A 29 -3.337 2.314 5.566 1.00 10.00 C ATOM 422 SG CYS A 29 -1.560 2.137 5.964 1.00 10.00 S ATOM 0 H CYS A 29 -2.490 3.761 7.701 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.661 3.949 5.678 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -3.825 1.350 5.710 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.435 2.566 4.510 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.035 1.219 5.208 1.00 10.00 H new ATOM 427 N HIS A 30 -4.600 2.794 8.674 1.00 10.00 N ATOM 428 CA HIS A 30 -5.390 2.230 9.755 1.00 10.00 C ATOM 429 C HIS A 30 -6.154 3.346 10.471 1.00 10.00 C ATOM 430 O HIS A 30 -6.147 4.492 10.024 1.00 10.00 O ATOM 431 CB HIS A 30 -4.509 1.413 10.703 1.00 10.00 C ATOM 432 CG HIS A 30 -3.978 0.135 10.099 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.800 -0.899 9.687 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.699 -0.265 9.841 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.042 -1.872 9.205 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.739 -1.478 9.302 1.00 10.00 N ATOM 0 H HIS A 30 -3.725 3.229 8.967 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.126 1.537 9.348 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.668 2.029 11.022 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.083 1.169 11.597 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -1.806 0.308 10.041 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.393 -2.812 8.805 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -1.929 -2.025 9.009 1.00 10.00 H new ATOM 444 N GLU A 31 -6.795 2.972 11.568 1.00 10.00 N ATOM 445 CA GLU A 31 -7.561 3.928 12.349 1.00 10.00 C ATOM 446 C GLU A 31 -8.358 3.205 13.438 1.00 10.00 C ATOM 447 O GLU A 31 -9.244 2.406 13.136 1.00 10.00 O ATOM 448 CB GLU A 31 -8.484 4.755 11.451 1.00 10.00 C ATOM 449 CG GLU A 31 -8.247 6.253 11.654 1.00 10.00 C ATOM 450 CD GLU A 31 -9.372 6.879 12.480 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.517 6.871 11.977 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.063 7.352 13.594 1.00 10.00 O ATOM 0 H GLU A 31 -6.800 2.020 11.935 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.866 4.616 12.830 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.311 4.494 10.407 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.524 4.514 11.672 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -7.292 6.409 12.156 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.183 6.749 10.686 1.00 10.00 H new ATOM 459 N GLY A 32 -8.016 3.513 14.679 1.00 10.00 N ATOM 460 CA GLY A 32 -8.688 2.903 15.814 1.00 10.00 C ATOM 461 C GLY A 32 -8.673 1.377 15.706 1.00 10.00 C ATOM 462 O GLY A 32 -9.534 0.789 15.052 1.00 10.00 O ATOM 0 H GLY A 32 -7.282 4.177 14.925 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -8.199 3.210 16.739 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -9.718 3.257 15.865 1.00 10.00 H new ATOM 466 N THR A 33 -7.684 0.779 16.355 1.00 10.00 N ATOM 467 CA THR A 33 -7.546 -0.667 16.339 1.00 10.00 C ATOM 468 C THR A 33 -7.184 -1.153 14.934 1.00 10.00 C ATOM 469 O THR A 33 -8.038 -1.195 14.049 1.00 10.00 O ATOM 470 CB THR A 33 -8.845 -1.273 16.876 1.00 10.00 C ATOM 471 OG1 THR A 33 -9.007 -0.666 18.156 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.711 -2.765 17.185 1.00 10.00 C ATOM 0 H THR A 33 -6.971 1.270 16.895 1.00 10.00 H new ATOM 0 HA THR A 33 -6.729 -0.993 16.982 1.00 10.00 H new ATOM 0 HB THR A 33 -9.643 -1.124 16.149 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.827 -1.001 18.575 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.660 -3.145 17.563 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.441 -3.302 16.276 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.936 -2.913 17.937 1.00 10.00 H new ATOM 480 N PRO A 34 -5.885 -1.518 14.769 1.00 10.00 N ATOM 481 CA PRO A 34 -5.400 -1.999 13.487 1.00 10.00 C ATOM 482 C PRO A 34 -5.871 -3.431 13.224 1.00 10.00 C ATOM 483 O PRO A 34 -5.632 -4.325 14.034 1.00 10.00 O ATOM 484 CB PRO A 34 -3.888 -1.878 13.567 1.00 10.00 C ATOM 485 CG PRO A 34 -3.555 -1.773 15.047 1.00 10.00 C ATOM 486 CD PRO A 34 -4.846 -1.482 15.795 1.00 10.00 C ATOM 0 HA PRO A 34 -5.789 -1.422 12.648 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -3.403 -2.745 13.118 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.537 -1.000 13.025 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.107 -2.700 15.404 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.827 -0.980 15.219 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.030 -2.225 16.571 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.808 -0.510 16.287 1.00 10.00 H new ATOM 494 N ALA A 35 -6.533 -3.604 12.090 1.00 10.00 N ATOM 495 CA ALA A 35 -7.040 -4.912 11.711 1.00 10.00 C ATOM 496 C ALA A 35 -6.782 -5.142 10.221 1.00 10.00 C ATOM 497 O ALA A 35 -6.425 -4.213 9.498 1.00 10.00 O ATOM 498 CB ALA A 35 -8.525 -5.007 12.068 1.00 10.00 C ATOM 0 H ALA A 35 -6.730 -2.860 11.421 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.522 -5.698 12.260 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -8.906 -5.988 11.784 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.651 -4.866 13.141 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.078 -4.235 11.533 1.00 10.00 H new ATOM 504 N LYS A 36 -6.973 -6.385 9.805 1.00 10.00 N ATOM 505 CA LYS A 36 -6.765 -6.750 8.414 1.00 10.00 C ATOM 506 C LYS A 36 -7.662 -5.886 7.525 1.00 10.00 C ATOM 507 O LYS A 36 -8.886 -5.968 7.608 1.00 10.00 O ATOM 508 CB LYS A 36 -6.969 -8.254 8.218 1.00 10.00 C ATOM 509 CG LYS A 36 -8.442 -8.633 8.384 1.00 10.00 C ATOM 510 CD LYS A 36 -9.021 -9.172 7.073 1.00 10.00 C ATOM 511 CE LYS A 36 -8.891 -8.140 5.951 1.00 10.00 C ATOM 512 NZ LYS A 36 -9.093 -8.781 4.632 1.00 10.00 N ATOM 0 H LYS A 36 -7.270 -7.153 10.407 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.735 -6.551 8.118 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -6.624 -8.545 7.226 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -6.365 -8.804 8.939 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -8.542 -9.385 9.166 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.011 -7.761 8.706 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -8.502 -10.088 6.791 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -10.070 -9.431 7.214 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.624 -7.346 6.092 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -7.906 -7.675 5.989 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -8.837 -8.112 3.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -8.493 -9.628 4.562 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -10.091 -9.054 4.528 1.00 10.00 H new ATOM 526 N ILE A 37 -7.017 -5.078 6.696 1.00 10.00 N ATOM 527 CA ILE A 37 -7.742 -4.200 5.793 1.00 10.00 C ATOM 528 C ILE A 37 -8.132 -4.979 4.537 1.00 10.00 C ATOM 529 O ILE A 37 -7.387 -5.845 4.081 1.00 10.00 O ATOM 530 CB ILE A 37 -6.928 -2.937 5.507 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.516 -2.243 6.807 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.688 -1.995 4.571 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.661 -1.006 6.521 1.00 10.00 C ATOM 0 H ILE A 37 -6.001 -5.013 6.631 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.668 -3.856 6.255 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.012 -3.231 4.995 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.405 -1.953 7.367 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.958 -2.938 7.434 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.087 -1.105 4.384 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.888 -2.503 3.627 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.631 -1.705 5.034 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -5.382 -0.531 7.462 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.761 -1.302 5.983 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.231 -0.302 5.915 1.00 10.00 H new ATOM 545 N ALA A 38 -9.301 -4.642 4.010 1.00 10.00 N ATOM 546 CA ALA A 38 -9.800 -5.299 2.813 1.00 10.00 C ATOM 547 C ALA A 38 -9.074 -4.738 1.589 1.00 10.00 C ATOM 548 O ALA A 38 -9.559 -3.806 0.949 1.00 10.00 O ATOM 549 CB ALA A 38 -11.317 -5.119 2.726 1.00 10.00 C ATOM 0 H ALA A 38 -9.917 -3.923 4.390 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.601 -6.370 2.851 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.691 -5.612 1.828 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.787 -5.561 3.605 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.555 -4.056 2.683 1.00 10.00 H new ATOM 555 N ILE A 39 -7.925 -5.330 1.300 1.00 10.00 N ATOM 556 CA ILE A 39 -7.127 -4.901 0.163 1.00 10.00 C ATOM 557 C ILE A 39 -7.279 -5.916 -0.973 1.00 10.00 C ATOM 558 O ILE A 39 -7.341 -7.120 -0.731 1.00 10.00 O ATOM 559 CB ILE A 39 -5.677 -4.663 0.585 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.535 -3.338 1.337 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.735 -4.744 -0.617 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.559 -2.153 0.370 1.00 10.00 C ATOM 0 H ILE A 39 -7.527 -6.103 1.833 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.485 -3.943 -0.214 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.388 -5.457 1.274 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -6.344 -3.238 2.060 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.602 -3.334 1.900 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.710 -4.571 -0.288 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.809 -5.732 -1.071 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -5.014 -3.987 -1.350 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.456 -1.224 0.931 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.734 -2.243 -0.337 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.504 -2.146 -0.174 1.00 10.00 H new ATOM 574 N ASP A 40 -7.334 -5.391 -2.188 1.00 10.00 N ATOM 575 CA ASP A 40 -7.478 -6.235 -3.362 1.00 10.00 C ATOM 576 C ASP A 40 -7.723 -5.357 -4.590 1.00 10.00 C ATOM 577 O ASP A 40 -8.038 -4.174 -4.459 1.00 10.00 O ATOM 578 CB ASP A 40 -8.667 -7.186 -3.214 1.00 10.00 C ATOM 579 CG ASP A 40 -9.989 -6.514 -2.838 1.00 10.00 C ATOM 580 OD1 ASP A 40 -10.189 -6.294 -1.624 1.00 10.00 O ATOM 581 OD2 ASP A 40 -10.770 -6.234 -3.774 1.00 10.00 O ATOM 0 H ASP A 40 -7.281 -4.392 -2.385 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.563 -6.817 -3.473 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.803 -7.722 -4.153 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -8.426 -7.930 -2.455 1.00 10.00 H new ATOM 586 N LYS A 41 -7.571 -5.968 -5.756 1.00 10.00 N ATOM 587 CA LYS A 41 -7.772 -5.256 -7.006 1.00 10.00 C ATOM 588 C LYS A 41 -9.165 -4.623 -7.008 1.00 10.00 C ATOM 589 O LYS A 41 -10.122 -5.218 -7.501 1.00 10.00 O ATOM 590 CB LYS A 41 -7.516 -6.182 -8.196 1.00 10.00 C ATOM 591 CG LYS A 41 -7.780 -5.460 -9.520 1.00 10.00 C ATOM 592 CD LYS A 41 -8.251 -6.441 -10.595 1.00 10.00 C ATOM 593 CE LYS A 41 -9.733 -6.237 -10.915 1.00 10.00 C ATOM 594 NZ LYS A 41 -10.202 -7.259 -11.876 1.00 10.00 N ATOM 0 H LYS A 41 -7.311 -6.949 -5.861 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.052 -4.444 -7.103 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -6.486 -6.537 -8.170 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.157 -7.060 -8.122 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -8.534 -4.687 -9.373 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -6.871 -4.959 -9.853 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -7.658 -6.306 -11.500 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.086 -7.464 -10.256 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -10.320 -6.295 -9.998 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -9.888 -5.241 -11.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -11.210 -7.105 -12.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -9.654 -7.185 -12.757 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -10.073 -8.206 -11.466 1.00 10.00 H new ATOM 608 N LYS A 42 -9.234 -3.421 -6.453 1.00 10.00 N ATOM 609 CA LYS A 42 -10.494 -2.700 -6.384 1.00 10.00 C ATOM 610 C LYS A 42 -10.284 -1.387 -5.628 1.00 10.00 C ATOM 611 O LYS A 42 -10.626 -0.317 -6.130 1.00 10.00 O ATOM 612 CB LYS A 42 -11.588 -3.587 -5.785 1.00 10.00 C ATOM 613 CG LYS A 42 -12.835 -2.768 -5.448 1.00 10.00 C ATOM 614 CD LYS A 42 -14.078 -3.363 -6.110 1.00 10.00 C ATOM 615 CE LYS A 42 -14.629 -2.424 -7.185 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.708 -1.577 -6.629 1.00 10.00 N ATOM 0 H LYS A 42 -8.438 -2.929 -6.047 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.840 -2.441 -7.385 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.847 -4.377 -6.490 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.214 -4.074 -4.884 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.973 -2.738 -4.367 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.699 -1.739 -5.780 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.831 -4.327 -6.556 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.843 -3.547 -5.356 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -13.828 -1.795 -7.572 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.011 -3.006 -8.024 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.071 -0.946 -7.371 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -16.479 -2.182 -6.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -15.333 -1.008 -5.844 1.00 10.00 H new ATOM 630 N SER A 43 -9.724 -1.512 -4.434 1.00 10.00 N ATOM 631 CA SER A 43 -9.465 -0.348 -3.603 1.00 10.00 C ATOM 632 C SER A 43 -7.969 -0.028 -3.603 1.00 10.00 C ATOM 633 O SER A 43 -7.581 1.140 -3.593 1.00 10.00 O ATOM 634 CB SER A 43 -9.960 -0.571 -2.173 1.00 10.00 C ATOM 635 OG SER A 43 -10.609 0.583 -1.647 1.00 10.00 O ATOM 0 H SER A 43 -9.442 -2.401 -4.022 1.00 10.00 H new ATOM 0 HA SER A 43 -10.011 0.498 -4.020 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.650 -1.415 -2.156 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.117 -0.836 -1.535 1.00 10.00 H new ATOM 0 HG SER A 43 -10.912 0.400 -0.733 1.00 10.00 H new ATOM 641 N ALA A 44 -7.170 -1.084 -3.617 1.00 10.00 N ATOM 642 CA ALA A 44 -5.725 -0.930 -3.619 1.00 10.00 C ATOM 643 C ALA A 44 -5.311 -0.064 -4.810 1.00 10.00 C ATOM 644 O ALA A 44 -4.207 0.480 -4.833 1.00 10.00 O ATOM 645 CB ALA A 44 -5.064 -2.310 -3.643 1.00 10.00 C ATOM 0 H ALA A 44 -7.496 -2.051 -3.627 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.391 -0.425 -2.712 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.980 -2.194 -3.645 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.367 -2.874 -2.761 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.373 -2.846 -4.541 1.00 10.00 H new ATOM 651 N HIS A 45 -6.217 0.036 -5.772 1.00 10.00 N ATOM 652 CA HIS A 45 -5.959 0.827 -6.963 1.00 10.00 C ATOM 653 C HIS A 45 -6.603 2.206 -6.813 1.00 10.00 C ATOM 654 O HIS A 45 -6.565 3.017 -7.736 1.00 10.00 O ATOM 655 CB HIS A 45 -6.428 0.087 -8.218 1.00 10.00 C ATOM 656 CG HIS A 45 -5.424 -0.903 -8.758 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.468 -1.384 -10.055 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.349 -1.497 -8.163 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.462 -2.229 -10.222 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.770 -2.298 -9.049 1.00 10.00 N ATOM 0 H HIS A 45 -7.130 -0.418 -5.751 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.886 0.977 -7.079 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.356 -0.439 -7.992 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.656 0.817 -8.994 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.025 -1.342 -7.145 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.230 -2.769 -11.128 1.00 10.00 H new ATOM 0 HE2 HIS A 45 -2.943 -2.871 -8.880 1.00 10.00 H new ATOM 668 N LYS A 46 -7.181 2.430 -5.642 1.00 10.00 N ATOM 669 CA LYS A 46 -7.833 3.697 -5.358 1.00 10.00 C ATOM 670 C LYS A 46 -7.075 4.417 -4.240 1.00 10.00 C ATOM 671 O LYS A 46 -5.942 4.059 -3.923 1.00 10.00 O ATOM 672 CB LYS A 46 -9.317 3.481 -5.056 1.00 10.00 C ATOM 673 CG LYS A 46 -10.193 4.039 -6.179 1.00 10.00 C ATOM 674 CD LYS A 46 -11.670 4.033 -5.779 1.00 10.00 C ATOM 675 CE LYS A 46 -12.533 3.413 -6.879 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.307 4.460 -7.583 1.00 10.00 N ATOM 0 H LYS A 46 -7.211 1.755 -4.878 1.00 10.00 H new ATOM 0 HA LYS A 46 -7.802 4.346 -6.233 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.515 2.416 -4.931 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.574 3.966 -4.114 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -9.881 5.056 -6.416 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.055 3.444 -7.082 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.797 3.473 -4.853 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.002 5.053 -5.583 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -11.900 2.881 -7.589 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.213 2.679 -6.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.887 4.022 -8.326 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.925 4.950 -6.905 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -12.653 5.145 -8.013 1.00 10.00 H new ATOM 690 N ASP A 47 -7.733 5.418 -3.673 1.00 10.00 N ATOM 691 CA ASP A 47 -7.136 6.190 -2.596 1.00 10.00 C ATOM 692 C ASP A 47 -6.394 5.247 -1.648 1.00 10.00 C ATOM 693 O ASP A 47 -5.422 5.643 -1.008 1.00 10.00 O ATOM 694 CB ASP A 47 -8.206 6.926 -1.789 1.00 10.00 C ATOM 695 CG ASP A 47 -7.686 7.685 -0.565 1.00 10.00 C ATOM 696 OD1 ASP A 47 -7.051 7.023 0.284 1.00 10.00 O ATOM 697 OD2 ASP A 47 -7.934 8.908 -0.508 1.00 10.00 O ATOM 0 H ASP A 47 -8.673 5.712 -3.939 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.455 6.916 -3.039 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -8.714 7.632 -2.446 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.952 6.203 -1.459 1.00 10.00 H new ATOM 702 N ALA A 48 -6.881 4.016 -1.589 1.00 10.00 N ATOM 703 CA ALA A 48 -6.275 3.012 -0.729 1.00 10.00 C ATOM 704 C ALA A 48 -4.754 3.179 -0.752 1.00 10.00 C ATOM 705 O ALA A 48 -4.132 3.377 0.291 1.00 10.00 O ATOM 706 CB ALA A 48 -6.716 1.619 -1.182 1.00 10.00 C ATOM 0 H ALA A 48 -7.688 3.691 -2.122 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.605 3.139 0.302 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.262 0.866 -0.538 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.802 1.543 -1.120 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.399 1.454 -2.212 1.00 10.00 H new ATOM 712 N CYS A 49 -4.199 3.091 -1.951 1.00 10.00 N ATOM 713 CA CYS A 49 -2.763 3.229 -2.123 1.00 10.00 C ATOM 714 C CYS A 49 -2.504 4.379 -3.099 1.00 10.00 C ATOM 715 O CYS A 49 -1.712 5.275 -2.812 1.00 10.00 O ATOM 716 CB CYS A 49 -2.121 1.923 -2.596 1.00 10.00 C ATOM 717 SG CYS A 49 -2.182 0.554 -1.382 1.00 10.00 S ATOM 0 H CYS A 49 -4.718 2.926 -2.813 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.300 3.457 -1.163 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.618 1.601 -3.511 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.079 2.118 -2.851 1.00 10.00 H new ATOM 0 HG CYS A 49 -1.613 -0.500 -1.888 1.00 10.00 H new ATOM 722 N LYS A 50 -3.187 4.314 -4.233 1.00 10.00 N ATOM 723 CA LYS A 50 -3.041 5.338 -5.254 1.00 10.00 C ATOM 724 C LYS A 50 -2.802 6.691 -4.582 1.00 10.00 C ATOM 725 O LYS A 50 -1.689 7.213 -4.607 1.00 10.00 O ATOM 726 CB LYS A 50 -4.242 5.325 -6.201 1.00 10.00 C ATOM 727 CG LYS A 50 -3.856 4.754 -7.567 1.00 10.00 C ATOM 728 CD LYS A 50 -3.511 5.873 -8.552 1.00 10.00 C ATOM 729 CE LYS A 50 -3.474 5.347 -9.989 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.842 5.258 -10.544 1.00 10.00 N ATOM 0 H LYS A 50 -3.843 3.568 -4.467 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.171 5.133 -5.878 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.045 4.729 -5.767 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.626 6.338 -6.321 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.002 4.085 -7.457 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -4.679 4.158 -7.962 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -4.248 6.672 -8.472 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.544 6.304 -8.294 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.866 6.007 -10.608 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -3.002 4.365 -10.011 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -4.798 4.899 -11.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -5.411 4.611 -9.962 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -5.280 6.201 -10.541 1.00 10.00 H new ATOM 744 N THR A 51 -3.866 7.221 -3.995 1.00 10.00 N ATOM 745 CA THR A 51 -3.786 8.504 -3.318 1.00 10.00 C ATOM 746 C THR A 51 -2.418 8.671 -2.652 1.00 10.00 C ATOM 747 O THR A 51 -1.536 9.332 -3.196 1.00 10.00 O ATOM 748 CB THR A 51 -4.955 8.592 -2.334 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.050 9.026 -3.137 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.776 9.715 -1.311 1.00 10.00 C ATOM 0 H THR A 51 -4.788 6.785 -3.975 1.00 10.00 H new ATOM 0 HA THR A 51 -3.872 9.330 -4.024 1.00 10.00 H new ATOM 0 HB THR A 51 -5.064 7.641 -1.813 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.801 9.277 -2.559 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.633 9.734 -0.637 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.866 9.542 -0.736 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.701 10.671 -1.829 1.00 10.00 H new ATOM 758 N CYS A 52 -2.286 8.060 -1.483 1.00 10.00 N ATOM 759 CA CYS A 52 -1.041 8.133 -0.737 1.00 10.00 C ATOM 760 C CYS A 52 0.074 7.549 -1.607 1.00 10.00 C ATOM 761 O CYS A 52 0.211 6.331 -1.711 1.00 10.00 O ATOM 762 CB CYS A 52 -1.147 7.418 0.611 1.00 10.00 C ATOM 763 SG CYS A 52 0.451 7.135 1.457 1.00 10.00 S ATOM 0 H CYS A 52 -3.021 7.512 -1.035 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.813 9.173 -0.505 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.791 8.003 1.267 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -1.637 6.456 0.459 1.00 10.00 H new ATOM 0 HG CYS A 52 0.242 6.526 2.587 1.00 10.00 H new ATOM 768 N HIS A 53 0.842 8.445 -2.208 1.00 10.00 N ATOM 769 CA HIS A 53 1.942 8.034 -3.065 1.00 10.00 C ATOM 770 C HIS A 53 2.334 9.190 -3.987 1.00 10.00 C ATOM 771 O HIS A 53 3.517 9.484 -4.152 1.00 10.00 O ATOM 772 CB HIS A 53 1.585 6.759 -3.832 1.00 10.00 C ATOM 773 CG HIS A 53 2.192 5.504 -3.253 1.00 10.00 C ATOM 774 ND1 HIS A 53 2.341 4.337 -3.982 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.687 5.246 -2.008 1.00 10.00 C ATOM 776 CE1 HIS A 53 2.901 3.424 -3.202 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.113 3.989 -1.978 1.00 10.00 N ATOM 0 H HIS A 53 0.725 9.454 -2.119 1.00 10.00 H new ATOM 0 HA HIS A 53 2.812 7.791 -2.455 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.501 6.650 -3.851 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.913 6.865 -4.866 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.726 5.946 -1.186 1.00 10.00 H new ATOM 0 HE1 HIS A 53 3.146 2.411 -3.485 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.530 3.522 -1.173 1.00 10.00 H new ATOM 785 N LYS A 54 1.318 9.817 -4.563 1.00 10.00 N ATOM 786 CA LYS A 54 1.542 10.935 -5.463 1.00 10.00 C ATOM 787 C LYS A 54 1.917 12.174 -4.649 1.00 10.00 C ATOM 788 O LYS A 54 1.233 13.195 -4.715 1.00 10.00 O ATOM 789 CB LYS A 54 0.330 11.141 -6.374 1.00 10.00 C ATOM 790 CG LYS A 54 -0.967 11.173 -5.562 1.00 10.00 C ATOM 791 CD LYS A 54 -2.036 12.007 -6.268 1.00 10.00 C ATOM 792 CE LYS A 54 -3.191 12.335 -5.321 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.943 13.513 -5.806 1.00 10.00 N ATOM 0 H LYS A 54 0.338 9.572 -4.424 1.00 10.00 H new ATOM 0 HA LYS A 54 2.380 10.726 -6.128 1.00 10.00 H new ATOM 0 HB2 LYS A 54 0.440 12.074 -6.927 1.00 10.00 H new ATOM 0 HB3 LYS A 54 0.283 10.338 -7.110 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.333 10.157 -5.414 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -0.771 11.588 -4.573 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -1.594 12.931 -6.641 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.414 11.463 -7.133 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.859 11.477 -5.243 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -2.804 12.530 -4.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -4.723 13.721 -5.151 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -3.307 14.334 -5.858 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -4.329 13.314 -6.751 1.00 10.00 H new ATOM 807 N SER A 55 3.002 12.044 -3.899 1.00 10.00 N ATOM 808 CA SER A 55 3.475 13.141 -3.072 1.00 10.00 C ATOM 809 C SER A 55 4.974 13.353 -3.291 1.00 10.00 C ATOM 810 O SER A 55 5.411 14.464 -3.585 1.00 10.00 O ATOM 811 CB SER A 55 3.187 12.880 -1.591 1.00 10.00 C ATOM 812 OG SER A 55 3.368 14.048 -0.797 1.00 10.00 O ATOM 0 H SER A 55 3.567 11.196 -3.847 1.00 10.00 H new ATOM 0 HA SER A 55 2.940 14.044 -3.365 1.00 10.00 H new ATOM 0 HB2 SER A 55 2.164 12.521 -1.479 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.844 12.090 -1.228 1.00 10.00 H new ATOM 0 HG SER A 55 3.173 13.840 0.141 1.00 10.00 H new ATOM 818 N ASN A 56 5.721 12.268 -3.139 1.00 10.00 N ATOM 819 CA ASN A 56 7.162 12.321 -3.318 1.00 10.00 C ATOM 820 C ASN A 56 7.532 11.655 -4.644 1.00 10.00 C ATOM 821 O ASN A 56 7.998 12.320 -5.569 1.00 10.00 O ATOM 822 CB ASN A 56 7.883 11.572 -2.195 1.00 10.00 C ATOM 823 CG ASN A 56 9.258 12.185 -1.922 1.00 10.00 C ATOM 824 OD1 ASN A 56 10.094 12.121 -2.955 1.00 10.00 O flip ATOM 825 ND2 ASN A 56 9.541 12.685 -0.846 1.00 10.00 N flip ATOM 0 H ASN A 56 5.355 11.348 -2.894 1.00 10.00 H new ATOM 0 HA ASN A 56 7.465 13.368 -3.307 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.280 11.603 -1.287 1.00 10.00 H new ATOM 0 HB3 ASN A 56 7.996 10.523 -2.467 1.00 10.00 H new ATOM 0 HD21 ASN A 56 8.852 12.701 -0.094 1.00 10.00 H new ATOM 0 HD22 ASN A 56 10.467 13.087 -0.698 1.00 10.00 H new ATOM 832 N ASN A 57 7.311 10.349 -4.697 1.00 10.00 N ATOM 833 CA ASN A 57 7.616 9.586 -5.895 1.00 10.00 C ATOM 834 C ASN A 57 6.324 9.327 -6.672 1.00 10.00 C ATOM 835 O ASN A 57 6.201 9.725 -7.828 1.00 10.00 O ATOM 836 CB ASN A 57 8.236 8.233 -5.542 1.00 10.00 C ATOM 837 CG ASN A 57 9.667 8.401 -5.026 1.00 10.00 C ATOM 838 OD1 ASN A 57 10.542 8.915 -5.704 1.00 10.00 O ATOM 839 ND2 ASN A 57 9.855 7.944 -3.792 1.00 10.00 N ATOM 0 H ASN A 57 6.924 9.800 -3.929 1.00 10.00 H new ATOM 0 HA ASN A 57 8.323 10.162 -6.492 1.00 10.00 H new ATOM 0 HB2 ASN A 57 7.629 7.738 -4.784 1.00 10.00 H new ATOM 0 HB3 ASN A 57 8.236 7.589 -6.421 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.775 8.013 -3.357 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.079 7.525 -3.280 1.00 10.00 H new ATOM 846 N GLY A 58 5.394 8.660 -6.005 1.00 10.00 N ATOM 847 CA GLY A 58 4.116 8.342 -6.617 1.00 10.00 C ATOM 848 C GLY A 58 4.254 7.179 -7.601 1.00 10.00 C ATOM 849 O GLY A 58 4.133 7.366 -8.811 1.00 10.00 O ATOM 0 H GLY A 58 5.501 8.331 -5.045 1.00 10.00 H new ATOM 0 HA2 GLY A 58 3.392 8.085 -5.844 1.00 10.00 H new ATOM 0 HA3 GLY A 58 3.729 9.219 -7.137 1.00 10.00 H new ATOM 853 N PRO A 59 4.510 5.971 -7.030 1.00 10.00 N ATOM 854 CA PRO A 59 4.665 4.777 -7.843 1.00 10.00 C ATOM 855 C PRO A 59 3.312 4.284 -8.358 1.00 10.00 C ATOM 856 O PRO A 59 2.933 3.138 -8.123 1.00 10.00 O ATOM 857 CB PRO A 59 5.358 3.772 -6.937 1.00 10.00 C ATOM 858 CG PRO A 59 5.147 4.275 -5.518 1.00 10.00 C ATOM 859 CD PRO A 59 4.659 5.712 -5.601 1.00 10.00 C ATOM 0 HA PRO A 59 5.254 4.955 -8.743 1.00 10.00 H new ATOM 0 HB2 PRO A 59 4.936 2.775 -7.065 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.420 3.701 -7.172 1.00 10.00 H new ATOM 0 HG2 PRO A 59 4.418 3.654 -4.997 1.00 10.00 H new ATOM 0 HG3 PRO A 59 6.076 4.220 -4.951 1.00 10.00 H new ATOM 0 HD2 PRO A 59 3.713 5.840 -5.075 1.00 10.00 H new ATOM 0 HD3 PRO A 59 5.372 6.399 -5.146 1.00 10.00 H new ATOM 867 N THR A 60 2.618 5.176 -9.050 1.00 10.00 N ATOM 868 CA THR A 60 1.314 4.846 -9.601 1.00 10.00 C ATOM 869 C THR A 60 1.385 4.762 -11.128 1.00 10.00 C ATOM 870 O THR A 60 0.746 5.548 -11.826 1.00 10.00 O ATOM 871 CB THR A 60 0.311 5.884 -9.095 1.00 10.00 C ATOM 872 OG1 THR A 60 0.727 7.098 -9.715 1.00 10.00 O ATOM 873 CG2 THR A 60 0.459 6.160 -7.598 1.00 10.00 C ATOM 0 H THR A 60 2.934 6.127 -9.242 1.00 10.00 H new ATOM 0 HA THR A 60 0.981 3.863 -9.269 1.00 10.00 H new ATOM 0 HB THR A 60 -0.703 5.541 -9.302 1.00 10.00 H new ATOM 0 HG1 THR A 60 0.672 7.003 -10.689 1.00 10.00 H new ATOM 0 HG21 THR A 60 -0.276 6.904 -7.291 1.00 10.00 H new ATOM 0 HG22 THR A 60 0.297 5.238 -7.040 1.00 10.00 H new ATOM 0 HG23 THR A 60 1.462 6.536 -7.395 1.00 10.00 H new ATOM 881 N LYS A 61 2.168 3.804 -11.600 1.00 10.00 N ATOM 882 CA LYS A 61 2.330 3.607 -13.030 1.00 10.00 C ATOM 883 C LYS A 61 2.846 2.190 -13.291 1.00 10.00 C ATOM 884 O LYS A 61 3.747 1.994 -14.105 1.00 10.00 O ATOM 885 CB LYS A 61 3.217 4.703 -13.623 1.00 10.00 C ATOM 886 CG LYS A 61 4.631 4.640 -13.042 1.00 10.00 C ATOM 887 CD LYS A 61 5.428 5.896 -13.400 1.00 10.00 C ATOM 888 CE LYS A 61 6.631 6.067 -12.470 1.00 10.00 C ATOM 889 NZ LYS A 61 7.855 6.347 -13.251 1.00 10.00 N ATOM 0 H LYS A 61 2.697 3.155 -11.017 1.00 10.00 H new ATOM 0 HA LYS A 61 1.370 3.695 -13.538 1.00 10.00 H new ATOM 0 HB2 LYS A 61 3.260 4.594 -14.707 1.00 10.00 H new ATOM 0 HB3 LYS A 61 2.779 5.680 -13.418 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.578 4.535 -11.958 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.145 3.758 -13.423 1.00 10.00 H new ATOM 0 HD2 LYS A 61 5.769 5.832 -14.433 1.00 10.00 H new ATOM 0 HD3 LYS A 61 4.783 6.772 -13.331 1.00 10.00 H new ATOM 0 HE2 LYS A 61 6.444 6.882 -11.771 1.00 10.00 H new ATOM 0 HE3 LYS A 61 6.770 5.164 -11.876 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 8.661 6.460 -12.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 8.041 5.556 -13.901 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 7.725 7.222 -13.798 1.00 10.00 H new ATOM 903 N CYS A 62 2.254 1.240 -12.584 1.00 10.00 N ATOM 904 CA CYS A 62 2.642 -0.153 -12.729 1.00 10.00 C ATOM 905 C CYS A 62 4.056 -0.318 -12.168 1.00 10.00 C ATOM 906 O CYS A 62 4.238 -0.875 -11.086 1.00 10.00 O ATOM 907 CB CYS A 62 2.547 -0.619 -14.182 1.00 10.00 C ATOM 908 SG CYS A 62 1.061 -1.612 -14.575 1.00 10.00 S ATOM 0 H CYS A 62 1.508 1.407 -11.909 1.00 10.00 H new ATOM 0 HA CYS A 62 1.953 -0.785 -12.169 1.00 10.00 H new ATOM 0 HB2 CYS A 62 2.564 0.256 -14.831 1.00 10.00 H new ATOM 0 HB3 CYS A 62 3.433 -1.208 -14.418 1.00 10.00 H new ATOM 0 HG CYS A 62 1.084 -1.949 -15.830 1.00 10.00 H new ATOM 913 N GLY A 63 5.021 0.176 -12.929 1.00 10.00 N ATOM 914 CA GLY A 63 6.414 0.090 -12.523 1.00 10.00 C ATOM 915 C GLY A 63 6.594 0.569 -11.081 1.00 10.00 C ATOM 916 O GLY A 63 7.558 0.196 -10.414 1.00 10.00 O ATOM 0 H GLY A 63 4.866 0.638 -13.825 1.00 10.00 H new ATOM 0 HA2 GLY A 63 6.760 -0.939 -12.614 1.00 10.00 H new ATOM 0 HA3 GLY A 63 7.029 0.694 -13.190 1.00 10.00 H new ATOM 920 N GLY A 64 5.650 1.389 -10.640 1.00 10.00 N ATOM 921 CA GLY A 64 5.692 1.922 -9.290 1.00 10.00 C ATOM 922 C GLY A 64 5.761 0.796 -8.257 1.00 10.00 C ATOM 923 O GLY A 64 6.813 0.554 -7.666 1.00 10.00 O ATOM 0 H GLY A 64 4.851 1.697 -11.195 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.558 2.575 -9.180 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.807 2.533 -9.109 1.00 10.00 H new ATOM 927 N CYS A 65 4.628 0.137 -8.072 1.00 10.00 N ATOM 928 CA CYS A 65 4.545 -0.959 -7.120 1.00 10.00 C ATOM 929 C CYS A 65 4.850 -2.262 -7.861 1.00 10.00 C ATOM 930 O CYS A 65 5.882 -2.888 -7.625 1.00 10.00 O ATOM 931 CB CYS A 65 3.184 -1.002 -6.423 1.00 10.00 C ATOM 932 SG CYS A 65 2.301 0.599 -6.364 1.00 10.00 S ATOM 0 H CYS A 65 3.758 0.340 -8.565 1.00 10.00 H new ATOM 0 HA CYS A 65 5.279 -0.813 -6.328 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.553 -1.730 -6.933 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.325 -1.361 -5.403 1.00 10.00 H new ATOM 0 HG CYS A 65 2.759 1.382 -7.296 1.00 10.00 H new ATOM 937 N HIS A 66 3.932 -2.632 -8.742 1.00 10.00 N ATOM 938 CA HIS A 66 4.089 -3.850 -9.520 1.00 10.00 C ATOM 939 C HIS A 66 5.460 -3.853 -10.199 1.00 10.00 C ATOM 940 O HIS A 66 5.999 -2.794 -10.521 1.00 10.00 O ATOM 941 CB HIS A 66 2.936 -4.014 -10.511 1.00 10.00 C ATOM 942 CG HIS A 66 1.618 -4.370 -9.867 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.089 -5.649 -9.900 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.728 -3.603 -9.174 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.067 -5.639 -9.253 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.289 -4.371 -8.804 1.00 10.00 N ATOM 0 H HIS A 66 3.077 -2.110 -8.934 1.00 10.00 H new ATOM 0 HA HIS A 66 4.048 -4.716 -8.859 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.816 -3.086 -11.070 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.197 -4.789 -11.232 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.833 -2.549 -8.962 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.720 -6.487 -9.107 1.00 10.00 H new ATOM 0 HE2 HIS A 66 -1.103 -4.063 -8.271 1.00 10.00 H new ATOM 954 N ILE A 67 5.986 -5.053 -10.396 1.00 10.00 N ATOM 955 CA ILE A 67 7.283 -5.207 -11.030 1.00 10.00 C ATOM 956 C ILE A 67 7.142 -6.108 -12.258 1.00 10.00 C ATOM 957 O ILE A 67 6.430 -7.111 -12.218 1.00 10.00 O ATOM 958 CB ILE A 67 8.318 -5.704 -10.019 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.501 -4.696 -8.882 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.644 -6.035 -10.708 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.314 -3.486 -9.346 1.00 10.00 C ATOM 0 H ILE A 67 5.536 -5.928 -10.127 1.00 10.00 H new ATOM 0 HA ILE A 67 7.652 -4.243 -11.382 1.00 10.00 H new ATOM 0 HB ILE A 67 7.946 -6.628 -9.576 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.526 -4.367 -8.523 1.00 10.00 H new ATOM 0 HG13 ILE A 67 9.004 -5.176 -8.043 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.362 -6.386 -9.966 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.482 -6.814 -11.453 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.034 -5.141 -11.196 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.429 -2.786 -8.519 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.297 -3.815 -9.682 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.796 -2.993 -10.169 1.00 10.00 H new ATOM 973 N LYS A 68 7.831 -5.719 -13.320 1.00 10.00 N ATOM 974 CA LYS A 68 7.791 -6.480 -14.558 1.00 10.00 C ATOM 975 C LYS A 68 8.406 -7.862 -14.322 1.00 10.00 C ATOM 976 O LYS A 68 9.589 -8.071 -14.586 1.00 10.00 O ATOM 977 CB LYS A 68 8.457 -5.696 -15.690 1.00 10.00 C ATOM 978 CG LYS A 68 7.841 -6.057 -17.044 1.00 10.00 C ATOM 979 CD LYS A 68 8.260 -7.462 -17.479 1.00 10.00 C ATOM 980 CE LYS A 68 9.077 -7.414 -18.772 1.00 10.00 C ATOM 981 NZ LYS A 68 9.305 -8.782 -19.292 1.00 10.00 N ATOM 0 H LYS A 68 8.420 -4.887 -13.350 1.00 10.00 H new ATOM 0 HA LYS A 68 6.760 -6.639 -14.875 1.00 10.00 H new ATOM 0 HB2 LYS A 68 8.347 -4.627 -15.510 1.00 10.00 H new ATOM 0 HB3 LYS A 68 9.526 -5.909 -15.705 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.754 -6.001 -16.980 1.00 10.00 H new ATOM 0 HG3 LYS A 68 8.154 -5.331 -17.795 1.00 10.00 H new ATOM 0 HD2 LYS A 68 8.848 -7.931 -16.690 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.375 -8.080 -17.627 1.00 10.00 H new ATOM 0 HE2 LYS A 68 8.553 -6.817 -19.519 1.00 10.00 H new ATOM 0 HE3 LYS A 68 10.033 -6.925 -18.587 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 9.861 -8.732 -20.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 9.824 -9.340 -18.585 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 8.390 -9.236 -19.487 1.00 10.00 H new