USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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: C 58 SER OG : rot 51:sc= 0.365! USER MOD Set 1.2: C 59 ASN : amide:sc= 0 K(o=0.37,f=-0.14) USER MOD Set 2.1: C 46 HIS : no HD1:sc= -0.536 K(o=-1.5,f=-5.9) USER MOD Set 2.2: C 53 THR OG1 : rot 99:sc= -0.995! USER MOD Set 3.1: C 50 THR OG1 : rot 180:sc= 0.0795 USER MOD Set 3.2: C 52 GLN : amide:sc= -1.51! C(o=-1.4!,f=-5!) USER MOD Set 4.1: C 18 SER OG : rot 138:sc= -3.53! USER MOD Set 4.2: C 25 SER OG : rot 180:sc= -0.67 USER MOD Single : C 9 THR OG1 : rot 17:sc= 0.826 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot -154:sc= -0.142! USER MOD Single : C 20 THR OG1 : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc=-0.00273 X(o=-0.0027,f=-0.24) USER MOD Single : C 36 ASN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : C 37 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.46) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 47 SER OG : rot 180:sc= -0.166 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 60 TYR OH : rot 2:sc= 1.23 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 12.510 28.950 -8.998 1.00 0.00 N ATOM 2 CA THR C 9 13.385 28.755 -7.808 1.00 0.00 C ATOM 3 C THR C 9 12.683 27.839 -6.803 1.00 0.00 C ATOM 4 O THR C 9 11.472 27.737 -6.784 1.00 0.00 O ATOM 5 CB THR C 9 13.665 30.110 -7.154 1.00 0.00 C ATOM 6 OG1 THR C 9 13.013 31.134 -7.893 1.00 0.00 O ATOM 7 CG2 THR C 9 15.172 30.370 -7.138 1.00 0.00 C ATOM 0 HA THR C 9 14.325 28.300 -8.119 1.00 0.00 H new ATOM 0 HB THR C 9 13.290 30.104 -6.131 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.327 30.736 -8.468 1.00 0.00 H new ATOM 0 HG21 THR C 9 15.370 31.335 -6.672 1.00 0.00 H new ATOM 0 HG22 THR C 9 15.671 29.584 -6.571 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.551 30.376 -8.160 1.00 0.00 H new ATOM 15 N PHE C 10 13.432 27.171 -5.968 1.00 0.00 N ATOM 16 CA PHE C 10 12.803 26.263 -4.967 1.00 0.00 C ATOM 17 C PHE C 10 13.375 26.557 -3.578 1.00 0.00 C ATOM 18 O PHE C 10 14.292 27.341 -3.428 1.00 0.00 O ATOM 19 CB PHE C 10 13.094 24.809 -5.344 1.00 0.00 C ATOM 20 CG PHE C 10 12.147 24.375 -6.465 1.00 0.00 C ATOM 21 CD1 PHE C 10 12.204 24.983 -7.705 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.222 23.369 -6.250 1.00 0.00 C ATOM 23 CE1 PHE C 10 11.350 24.591 -8.715 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.368 22.978 -7.261 1.00 0.00 C ATOM 25 CZ PHE C 10 10.432 23.589 -8.493 1.00 0.00 C ATOM 0 H PHE C 10 14.451 27.215 -5.936 1.00 0.00 H new ATOM 0 HA PHE C 10 11.725 26.426 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE C 10 14.130 24.706 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.966 24.164 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.922 25.770 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.168 22.887 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE C 10 11.402 25.071 -9.681 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.649 22.192 -7.086 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.763 23.283 -9.284 1.00 0.00 H new ATOM 35 N VAL C 11 12.848 25.928 -2.563 1.00 0.00 N ATOM 36 CA VAL C 11 13.361 26.175 -1.186 1.00 0.00 C ATOM 37 C VAL C 11 13.391 24.859 -0.406 1.00 0.00 C ATOM 38 O VAL C 11 12.445 24.096 -0.419 1.00 0.00 O ATOM 39 CB VAL C 11 12.444 27.171 -0.472 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.807 27.226 1.013 1.00 0.00 C ATOM 41 CG2 VAL C 11 12.620 28.559 -1.093 1.00 0.00 C ATOM 0 H VAL C 11 12.085 25.254 -2.628 1.00 0.00 H new ATOM 0 HA VAL C 11 14.370 26.585 -1.243 1.00 0.00 H new ATOM 0 HB VAL C 11 11.407 26.853 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.154 27.935 1.521 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.683 26.237 1.455 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.844 27.545 1.123 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.968 29.270 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL C 11 13.657 28.877 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL C 11 12.361 28.520 -2.151 1.00 0.00 H new ATOM 51 N ALA C 12 14.470 24.587 0.276 1.00 0.00 N ATOM 52 CA ALA C 12 14.564 23.321 1.056 1.00 0.00 C ATOM 53 C ALA C 12 13.576 23.352 2.224 1.00 0.00 C ATOM 54 O ALA C 12 13.861 23.885 3.277 1.00 0.00 O ATOM 55 CB ALA C 12 15.987 23.169 1.598 1.00 0.00 C ATOM 0 H ALA C 12 15.292 25.189 0.327 1.00 0.00 H new ATOM 0 HA ALA C 12 14.322 22.479 0.407 1.00 0.00 H new ATOM 0 HB1 ALA C 12 16.062 22.244 2.170 1.00 0.00 H new ATOM 0 HB2 ALA C 12 16.692 23.140 0.767 1.00 0.00 H new ATOM 0 HB3 ALA C 12 16.223 24.015 2.244 1.00 0.00 H new ATOM 61 N LEU C 13 12.412 22.787 2.047 1.00 0.00 N ATOM 62 CA LEU C 13 11.409 22.785 3.150 1.00 0.00 C ATOM 63 C LEU C 13 11.927 21.965 4.328 1.00 0.00 C ATOM 64 O LEU C 13 12.176 22.485 5.396 1.00 0.00 O ATOM 65 CB LEU C 13 10.100 22.155 2.669 1.00 0.00 C ATOM 66 CG LEU C 13 9.540 22.936 1.479 1.00 0.00 C ATOM 67 CD1 LEU C 13 8.075 22.550 1.272 1.00 0.00 C ATOM 68 CD2 LEU C 13 9.635 24.439 1.757 1.00 0.00 C ATOM 0 H LEU C 13 12.113 22.327 1.187 1.00 0.00 H new ATOM 0 HA LEU C 13 11.238 23.817 3.457 1.00 0.00 H new ATOM 0 HB2 LEU C 13 10.272 21.117 2.383 1.00 0.00 H new ATOM 0 HB3 LEU C 13 9.373 22.146 3.481 1.00 0.00 H new ATOM 0 HG LEU C 13 10.115 22.699 0.584 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.669 23.103 0.425 1.00 0.00 H new ATOM 0 HD12 LEU C 13 8.005 21.480 1.074 1.00 0.00 H new ATOM 0 HD13 LEU C 13 7.505 22.791 2.169 1.00 0.00 H new ATOM 0 HD21 LEU C 13 9.235 24.992 0.907 1.00 0.00 H new ATOM 0 HD22 LEU C 13 9.060 24.681 2.651 1.00 0.00 H new ATOM 0 HD23 LEU C 13 10.678 24.715 1.911 1.00 0.00 H new ATOM 80 N TYR C 14 12.091 20.681 4.147 1.00 0.00 N ATOM 81 CA TYR C 14 12.588 19.836 5.271 1.00 0.00 C ATOM 82 C TYR C 14 14.104 19.650 5.175 1.00 0.00 C ATOM 83 O TYR C 14 14.723 19.982 4.183 1.00 0.00 O ATOM 84 CB TYR C 14 11.903 18.462 5.230 1.00 0.00 C ATOM 85 CG TYR C 14 10.385 18.616 5.045 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.774 19.854 5.118 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.606 17.509 4.774 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.418 19.984 4.917 1.00 0.00 C ATOM 89 CE2 TYR C 14 8.247 17.638 4.578 1.00 0.00 C ATOM 90 CZ TYR C 14 7.641 18.877 4.647 1.00 0.00 C ATOM 91 OH TYR C 14 6.281 19.006 4.450 1.00 0.00 O ATOM 0 H TYR C 14 11.904 20.184 3.276 1.00 0.00 H new ATOM 0 HA TYR C 14 12.353 20.337 6.210 1.00 0.00 H new ATOM 0 HB2 TYR C 14 12.315 17.869 4.414 1.00 0.00 H new ATOM 0 HB3 TYR C 14 12.109 17.920 6.153 1.00 0.00 H new ATOM 0 HD1 TYR C 14 10.367 20.730 5.335 1.00 0.00 H new ATOM 0 HD2 TYR C 14 10.065 16.533 4.715 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.959 20.960 4.971 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.651 16.762 4.369 1.00 0.00 H new ATOM 0 HH TYR C 14 5.892 18.125 4.270 1.00 0.00 H new ATOM 101 N ASP C 15 14.702 19.117 6.209 1.00 0.00 N ATOM 102 CA ASP C 15 16.171 18.899 6.203 1.00 0.00 C ATOM 103 C ASP C 15 16.491 17.581 5.495 1.00 0.00 C ATOM 104 O ASP C 15 16.344 16.512 6.053 1.00 0.00 O ATOM 105 CB ASP C 15 16.671 18.838 7.645 1.00 0.00 C ATOM 106 CG ASP C 15 15.874 17.783 8.417 1.00 0.00 C ATOM 107 OD1 ASP C 15 14.785 18.101 8.865 1.00 0.00 O ATOM 108 OD2 ASP C 15 16.369 16.675 8.549 1.00 0.00 O ATOM 0 H ASP C 15 14.227 18.822 7.062 1.00 0.00 H new ATOM 0 HA ASP C 15 16.662 19.717 5.677 1.00 0.00 H new ATOM 0 HB2 ASP C 15 17.733 18.592 7.663 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.561 19.812 8.121 1.00 0.00 H new ATOM 113 N TYR C 16 16.929 17.652 4.270 1.00 0.00 N ATOM 114 CA TYR C 16 17.263 16.412 3.515 1.00 0.00 C ATOM 115 C TYR C 16 18.636 15.892 3.943 1.00 0.00 C ATOM 116 O TYR C 16 19.648 16.534 3.732 1.00 0.00 O ATOM 117 CB TYR C 16 17.285 16.732 2.023 1.00 0.00 C ATOM 118 CG TYR C 16 17.752 15.506 1.240 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.957 14.384 1.165 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.967 15.510 0.584 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.366 13.281 0.443 1.00 0.00 C ATOM 122 CE2 TYR C 16 19.377 14.407 -0.138 1.00 0.00 C ATOM 123 CZ TYR C 16 18.579 13.284 -0.214 1.00 0.00 C ATOM 124 OH TYR C 16 18.989 12.180 -0.933 1.00 0.00 O ATOM 0 H TYR C 16 17.071 18.521 3.756 1.00 0.00 H new ATOM 0 HA TYR C 16 16.514 15.648 3.723 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.291 17.031 1.691 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.951 17.573 1.831 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.005 14.367 1.675 1.00 0.00 H new ATOM 0 HD2 TYR C 16 19.601 16.383 0.636 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.731 12.409 0.392 1.00 0.00 H new ATOM 0 HE2 TYR C 16 20.329 14.423 -0.647 1.00 0.00 H new ATOM 0 HH TYR C 16 19.968 12.159 -0.971 1.00 0.00 H new ATOM 134 N GLU C 17 18.679 14.733 4.540 1.00 0.00 N ATOM 135 CA GLU C 17 19.983 14.166 4.983 1.00 0.00 C ATOM 136 C GLU C 17 20.417 13.082 3.995 1.00 0.00 C ATOM 137 O GLU C 17 20.220 11.905 4.224 1.00 0.00 O ATOM 138 CB GLU C 17 19.835 13.559 6.380 1.00 0.00 C ATOM 139 CG GLU C 17 18.461 12.900 6.511 1.00 0.00 C ATOM 140 CD GLU C 17 18.378 12.145 7.838 1.00 0.00 C ATOM 141 OE1 GLU C 17 19.330 11.454 8.164 1.00 0.00 O ATOM 142 OE2 GLU C 17 17.366 12.271 8.506 1.00 0.00 O ATOM 0 H GLU C 17 17.864 14.153 4.741 1.00 0.00 H new ATOM 0 HA GLU C 17 20.733 14.956 5.016 1.00 0.00 H new ATOM 0 HB2 GLU C 17 20.620 12.823 6.553 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.952 14.333 7.138 1.00 0.00 H new ATOM 0 HG2 GLU C 17 17.678 13.656 6.462 1.00 0.00 H new ATOM 0 HG3 GLU C 17 18.295 12.214 5.680 1.00 0.00 H new ATOM 149 N SER C 18 21.004 13.470 2.896 1.00 0.00 N ATOM 150 CA SER C 18 21.450 12.471 1.891 1.00 0.00 C ATOM 151 C SER C 18 22.108 11.283 2.596 1.00 0.00 C ATOM 152 O SER C 18 22.889 11.445 3.511 1.00 0.00 O ATOM 153 CB SER C 18 22.457 13.127 0.950 1.00 0.00 C ATOM 154 OG SER C 18 23.226 14.076 1.673 1.00 0.00 O ATOM 0 H SER C 18 21.194 14.442 2.652 1.00 0.00 H new ATOM 0 HA SER C 18 20.590 12.116 1.324 1.00 0.00 H new ATOM 0 HB2 SER C 18 23.109 12.371 0.512 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.937 13.615 0.126 1.00 0.00 H new ATOM 0 HG SER C 18 24.166 14.007 1.406 1.00 0.00 H new ATOM 160 N ARG C 19 21.793 10.090 2.175 1.00 0.00 N ATOM 161 CA ARG C 19 22.397 8.888 2.815 1.00 0.00 C ATOM 162 C ARG C 19 23.121 8.059 1.751 1.00 0.00 C ATOM 163 O ARG C 19 23.775 7.079 2.052 1.00 0.00 O ATOM 164 CB ARG C 19 21.294 8.046 3.459 1.00 0.00 C ATOM 165 CG ARG C 19 21.233 8.351 4.957 1.00 0.00 C ATOM 166 CD ARG C 19 19.843 8.884 5.312 1.00 0.00 C ATOM 167 NE ARG C 19 18.914 7.738 5.527 1.00 0.00 N ATOM 168 CZ ARG C 19 17.625 7.941 5.587 1.00 0.00 C ATOM 169 NH1 ARG C 19 17.143 9.148 5.458 1.00 0.00 N ATOM 170 NH2 ARG C 19 16.817 6.933 5.776 1.00 0.00 N ATOM 0 H ARG C 19 21.142 9.895 1.414 1.00 0.00 H new ATOM 0 HA ARG C 19 23.108 9.198 3.581 1.00 0.00 H new ATOM 0 HB2 ARG C 19 20.334 8.266 2.992 1.00 0.00 H new ATOM 0 HB3 ARG C 19 21.491 6.986 3.300 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.446 7.450 5.532 1.00 0.00 H new ATOM 0 HG3 ARG C 19 21.994 9.085 5.221 1.00 0.00 H new ATOM 0 HD2 ARG C 19 19.895 9.498 6.211 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.471 9.523 4.511 1.00 0.00 H new ATOM 0 HE ARG C 19 19.286 6.793 5.627 1.00 0.00 H new ATOM 0 HH11 ARG C 19 17.774 9.936 5.310 1.00 0.00 H new ATOM 0 HH12 ARG C 19 16.136 9.303 5.505 1.00 0.00 H new ATOM 0 HH21 ARG C 19 17.193 5.990 5.876 1.00 0.00 H new ATOM 0 HH22 ARG C 19 15.810 7.088 5.823 1.00 0.00 H new ATOM 184 N THR C 20 23.011 8.445 0.507 1.00 0.00 N ATOM 185 CA THR C 20 23.692 7.682 -0.576 1.00 0.00 C ATOM 186 C THR C 20 24.776 8.556 -1.213 1.00 0.00 C ATOM 187 O THR C 20 24.876 9.735 -0.937 1.00 0.00 O ATOM 188 CB THR C 20 22.666 7.286 -1.642 1.00 0.00 C ATOM 189 OG1 THR C 20 21.990 8.449 -2.099 1.00 0.00 O ATOM 190 CG2 THR C 20 21.655 6.306 -1.045 1.00 0.00 C ATOM 0 H THR C 20 22.478 9.257 0.196 1.00 0.00 H new ATOM 0 HA THR C 20 24.148 6.785 -0.157 1.00 0.00 H new ATOM 0 HB THR C 20 23.177 6.809 -2.478 1.00 0.00 H new ATOM 0 HG1 THR C 20 21.334 8.199 -2.782 1.00 0.00 H new ATOM 0 HG21 THR C 20 20.926 6.026 -1.806 1.00 0.00 H new ATOM 0 HG22 THR C 20 22.175 5.414 -0.696 1.00 0.00 H new ATOM 0 HG23 THR C 20 21.142 6.778 -0.207 1.00 0.00 H new ATOM 198 N GLU C 21 25.591 7.986 -2.060 1.00 0.00 N ATOM 199 CA GLU C 21 26.664 8.782 -2.713 1.00 0.00 C ATOM 200 C GLU C 21 26.141 9.380 -4.021 1.00 0.00 C ATOM 201 O GLU C 21 26.861 9.497 -4.992 1.00 0.00 O ATOM 202 CB GLU C 21 27.856 7.872 -3.011 1.00 0.00 C ATOM 203 CG GLU C 21 27.357 6.544 -3.583 1.00 0.00 C ATOM 204 CD GLU C 21 27.312 5.497 -2.469 1.00 0.00 C ATOM 205 OE1 GLU C 21 27.217 5.889 -1.318 1.00 0.00 O ATOM 206 OE2 GLU C 21 27.372 4.321 -2.787 1.00 0.00 O ATOM 0 H GLU C 21 25.558 7.002 -2.327 1.00 0.00 H new ATOM 0 HA GLU C 21 26.973 9.588 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU C 21 28.527 8.356 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU C 21 28.428 7.695 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU C 21 26.366 6.672 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.016 6.210 -4.385 1.00 0.00 H new ATOM 213 N THR C 22 24.891 9.758 -4.056 1.00 0.00 N ATOM 214 CA THR C 22 24.327 10.347 -5.305 1.00 0.00 C ATOM 215 C THR C 22 23.677 11.698 -4.995 1.00 0.00 C ATOM 216 O THR C 22 23.326 12.445 -5.886 1.00 0.00 O ATOM 217 CB THR C 22 23.274 9.401 -5.889 1.00 0.00 C ATOM 218 OG1 THR C 22 23.648 8.056 -5.624 1.00 0.00 O ATOM 219 CG2 THR C 22 23.172 9.617 -7.399 1.00 0.00 C ATOM 0 H THR C 22 24.238 9.685 -3.276 1.00 0.00 H new ATOM 0 HA THR C 22 25.131 10.490 -6.027 1.00 0.00 H new ATOM 0 HB THR C 22 22.307 9.606 -5.430 1.00 0.00 H new ATOM 0 HG1 THR C 22 22.974 7.450 -5.996 1.00 0.00 H new ATOM 0 HG21 THR C 22 22.422 8.943 -7.813 1.00 0.00 H new ATOM 0 HG22 THR C 22 22.883 10.649 -7.600 1.00 0.00 H new ATOM 0 HG23 THR C 22 24.138 9.414 -7.862 1.00 0.00 H new ATOM 227 N ASP C 23 23.513 12.022 -3.741 1.00 0.00 N ATOM 228 CA ASP C 23 22.883 13.329 -3.388 1.00 0.00 C ATOM 229 C ASP C 23 23.604 13.939 -2.185 1.00 0.00 C ATOM 230 O ASP C 23 24.043 13.241 -1.293 1.00 0.00 O ATOM 231 CB ASP C 23 21.398 13.131 -3.034 1.00 0.00 C ATOM 232 CG ASP C 23 20.989 11.666 -3.230 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.102 11.185 -4.345 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.570 11.054 -2.262 1.00 0.00 O ATOM 0 H ASP C 23 23.786 11.442 -2.948 1.00 0.00 H new ATOM 0 HA ASP C 23 22.962 13.995 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.222 13.429 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.780 13.774 -3.661 1.00 0.00 H new ATOM 239 N LEU C 24 23.728 15.238 -2.155 1.00 0.00 N ATOM 240 CA LEU C 24 24.420 15.895 -1.010 1.00 0.00 C ATOM 241 C LEU C 24 23.418 16.106 0.125 1.00 0.00 C ATOM 242 O LEU C 24 22.279 15.692 0.043 1.00 0.00 O ATOM 243 CB LEU C 24 24.980 17.245 -1.460 1.00 0.00 C ATOM 244 CG LEU C 24 26.354 17.039 -2.102 1.00 0.00 C ATOM 245 CD1 LEU C 24 26.199 16.220 -3.384 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.970 18.398 -2.437 1.00 0.00 C ATOM 0 H LEU C 24 23.380 15.873 -2.874 1.00 0.00 H new ATOM 0 HA LEU C 24 25.239 15.265 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU C 24 24.301 17.713 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU C 24 25.062 17.919 -0.607 1.00 0.00 H new ATOM 0 HG LEU C 24 27.004 16.508 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU C 24 27.177 16.073 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU C 24 25.760 15.251 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.549 16.752 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU C 24 27.949 18.251 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU C 24 26.321 18.930 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU C 24 27.080 18.983 -1.524 1.00 0.00 H new ATOM 258 N SER C 25 23.826 16.747 1.186 1.00 0.00 N ATOM 259 CA SER C 25 22.886 16.977 2.319 1.00 0.00 C ATOM 260 C SER C 25 22.509 18.459 2.385 1.00 0.00 C ATOM 261 O SER C 25 23.358 19.321 2.497 1.00 0.00 O ATOM 262 CB SER C 25 23.560 16.564 3.629 1.00 0.00 C ATOM 263 OG SER C 25 22.818 15.515 4.233 1.00 0.00 O ATOM 0 H SER C 25 24.766 17.120 1.317 1.00 0.00 H new ATOM 0 HA SER C 25 21.985 16.383 2.167 1.00 0.00 H new ATOM 0 HB2 SER C 25 24.582 16.237 3.437 1.00 0.00 H new ATOM 0 HB3 SER C 25 23.620 17.417 4.305 1.00 0.00 H new ATOM 0 HG SER C 25 23.250 15.249 5.071 1.00 0.00 H new ATOM 269 N PHE C 26 21.240 18.763 2.316 1.00 0.00 N ATOM 270 CA PHE C 26 20.813 20.189 2.376 1.00 0.00 C ATOM 271 C PHE C 26 19.725 20.347 3.440 1.00 0.00 C ATOM 272 O PHE C 26 18.732 19.652 3.431 1.00 0.00 O ATOM 273 CB PHE C 26 20.274 20.634 1.010 1.00 0.00 C ATOM 274 CG PHE C 26 18.966 19.904 0.691 1.00 0.00 C ATOM 275 CD1 PHE C 26 17.763 20.390 1.166 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.967 18.768 -0.099 1.00 0.00 C ATOM 277 CE1 PHE C 26 16.577 19.752 0.856 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.782 18.130 -0.409 1.00 0.00 C ATOM 279 CZ PHE C 26 16.589 18.624 0.069 1.00 0.00 C ATOM 0 H PHE C 26 20.483 18.086 2.221 1.00 0.00 H new ATOM 0 HA PHE C 26 21.669 20.811 2.635 1.00 0.00 H new ATOM 0 HB2 PHE C 26 20.106 21.711 1.011 1.00 0.00 H new ATOM 0 HB3 PHE C 26 21.012 20.427 0.235 1.00 0.00 H new ATOM 0 HD1 PHE C 26 17.749 21.275 1.784 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.901 18.378 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE C 26 15.641 20.139 1.231 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.791 17.244 -1.026 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.662 18.126 -0.174 1.00 0.00 H new ATOM 289 N LYS C 27 19.909 21.254 4.361 1.00 0.00 N ATOM 290 CA LYS C 27 18.887 21.456 5.427 1.00 0.00 C ATOM 291 C LYS C 27 17.944 22.595 5.031 1.00 0.00 C ATOM 292 O LYS C 27 18.161 23.284 4.054 1.00 0.00 O ATOM 293 CB LYS C 27 19.587 21.809 6.741 1.00 0.00 C ATOM 294 CG LYS C 27 20.895 21.023 6.848 1.00 0.00 C ATOM 295 CD LYS C 27 21.684 21.507 8.067 1.00 0.00 C ATOM 296 CE LYS C 27 20.791 21.444 9.307 1.00 0.00 C ATOM 297 NZ LYS C 27 21.517 20.744 10.404 1.00 0.00 N ATOM 0 H LYS C 27 20.724 21.864 4.421 1.00 0.00 H new ATOM 0 HA LYS C 27 18.311 20.539 5.553 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.789 22.879 6.782 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.939 21.574 7.585 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.685 19.957 6.937 1.00 0.00 H new ATOM 0 HG3 LYS C 27 21.487 21.156 5.942 1.00 0.00 H new ATOM 0 HD2 LYS C 27 22.569 20.887 8.211 1.00 0.00 H new ATOM 0 HD3 LYS C 27 22.032 22.528 7.907 1.00 0.00 H new ATOM 0 HE2 LYS C 27 20.516 22.451 9.622 1.00 0.00 H new ATOM 0 HE3 LYS C 27 19.865 20.918 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 20.911 20.700 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 21.758 19.779 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 22.389 21.264 10.630 1.00 0.00 H new ATOM 311 N LYS C 28 16.898 22.798 5.785 1.00 0.00 N ATOM 312 CA LYS C 28 15.940 23.891 5.455 1.00 0.00 C ATOM 313 C LYS C 28 16.646 25.244 5.591 1.00 0.00 C ATOM 314 O LYS C 28 17.367 25.486 6.539 1.00 0.00 O ATOM 315 CB LYS C 28 14.748 23.834 6.419 1.00 0.00 C ATOM 316 CG LYS C 28 13.987 25.164 6.383 1.00 0.00 C ATOM 317 CD LYS C 28 12.493 24.898 6.197 1.00 0.00 C ATOM 318 CE LYS C 28 11.707 26.181 6.475 1.00 0.00 C ATOM 319 NZ LYS C 28 10.946 26.030 7.747 1.00 0.00 N ATOM 0 H LYS C 28 16.665 22.254 6.616 1.00 0.00 H new ATOM 0 HA LYS C 28 15.584 23.768 4.432 1.00 0.00 H new ATOM 0 HB2 LYS C 28 14.083 23.016 6.141 1.00 0.00 H new ATOM 0 HB3 LYS C 28 15.097 23.631 7.432 1.00 0.00 H new ATOM 0 HG2 LYS C 28 14.156 25.716 7.308 1.00 0.00 H new ATOM 0 HG3 LYS C 28 14.360 25.785 5.569 1.00 0.00 H new ATOM 0 HD2 LYS C 28 12.298 24.552 5.182 1.00 0.00 H new ATOM 0 HD3 LYS C 28 12.167 24.106 6.871 1.00 0.00 H new ATOM 0 HE2 LYS C 28 12.388 27.030 6.544 1.00 0.00 H new ATOM 0 HE3 LYS C 28 11.023 26.387 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.411 26.901 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.286 25.230 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 11.608 25.853 8.529 1.00 0.00 H new ATOM 333 N GLY C 29 16.447 26.128 4.651 1.00 0.00 N ATOM 334 CA GLY C 29 17.108 27.461 4.732 1.00 0.00 C ATOM 335 C GLY C 29 17.682 27.840 3.365 1.00 0.00 C ATOM 336 O GLY C 29 17.361 28.872 2.811 1.00 0.00 O ATOM 0 H GLY C 29 15.856 25.985 3.832 1.00 0.00 H new ATOM 0 HA2 GLY C 29 16.390 28.214 5.056 1.00 0.00 H new ATOM 0 HA3 GLY C 29 17.904 27.438 5.477 1.00 0.00 H new ATOM 340 N GLU C 30 18.530 27.014 2.815 1.00 0.00 N ATOM 341 CA GLU C 30 19.122 27.328 1.489 1.00 0.00 C ATOM 342 C GLU C 30 18.143 26.938 0.375 1.00 0.00 C ATOM 343 O GLU C 30 17.415 25.970 0.482 1.00 0.00 O ATOM 344 CB GLU C 30 20.440 26.558 1.335 1.00 0.00 C ATOM 345 CG GLU C 30 20.173 25.111 0.903 1.00 0.00 C ATOM 346 CD GLU C 30 19.495 24.349 2.043 1.00 0.00 C ATOM 347 OE1 GLU C 30 19.968 24.455 3.163 1.00 0.00 O ATOM 348 OE2 GLU C 30 18.514 23.675 1.778 1.00 0.00 O ATOM 0 H GLU C 30 18.837 26.134 3.230 1.00 0.00 H new ATOM 0 HA GLU C 30 19.319 28.398 1.416 1.00 0.00 H new ATOM 0 HB2 GLU C 30 21.072 27.053 0.598 1.00 0.00 H new ATOM 0 HB3 GLU C 30 20.985 26.567 2.279 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.539 25.097 0.016 1.00 0.00 H new ATOM 0 HG3 GLU C 30 21.110 24.623 0.633 1.00 0.00 H new ATOM 355 N ARG C 31 18.121 27.689 -0.692 1.00 0.00 N ATOM 356 CA ARG C 31 17.195 27.367 -1.813 1.00 0.00 C ATOM 357 C ARG C 31 17.821 26.280 -2.686 1.00 0.00 C ATOM 358 O ARG C 31 18.879 25.764 -2.385 1.00 0.00 O ATOM 359 CB ARG C 31 16.956 28.620 -2.658 1.00 0.00 C ATOM 360 CG ARG C 31 15.897 29.495 -1.985 1.00 0.00 C ATOM 361 CD ARG C 31 16.491 30.874 -1.686 1.00 0.00 C ATOM 362 NE ARG C 31 15.608 31.930 -2.258 1.00 0.00 N ATOM 363 CZ ARG C 31 16.016 33.171 -2.306 1.00 0.00 C ATOM 364 NH1 ARG C 31 17.199 33.491 -1.853 1.00 0.00 N ATOM 365 NH2 ARG C 31 15.240 34.093 -2.806 1.00 0.00 N ATOM 0 H ARG C 31 18.705 28.513 -0.835 1.00 0.00 H new ATOM 0 HA ARG C 31 16.245 27.015 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.886 29.178 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.629 28.339 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.026 29.595 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.555 29.026 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.592 31.013 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.491 30.951 -2.112 1.00 0.00 H new ATOM 0 HE ARG C 31 14.684 31.684 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.807 32.772 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG C 31 17.515 34.460 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG C 31 14.316 33.845 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG C 31 15.558 35.062 -2.844 1.00 0.00 H new ATOM 379 N LEU C 32 17.180 25.928 -3.766 1.00 0.00 N ATOM 380 CA LEU C 32 17.748 24.871 -4.652 1.00 0.00 C ATOM 381 C LEU C 32 17.259 25.078 -6.086 1.00 0.00 C ATOM 382 O LEU C 32 16.073 25.124 -6.348 1.00 0.00 O ATOM 383 CB LEU C 32 17.297 23.498 -4.152 1.00 0.00 C ATOM 384 CG LEU C 32 18.283 22.990 -3.098 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.532 22.694 -1.799 1.00 0.00 C ATOM 386 CD2 LEU C 32 18.957 21.713 -3.602 1.00 0.00 C ATOM 0 H LEU C 32 16.292 26.324 -4.073 1.00 0.00 H new ATOM 0 HA LEU C 32 18.836 24.930 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.296 23.565 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU C 32 17.243 22.796 -4.984 1.00 0.00 H new ATOM 0 HG LEU C 32 19.042 23.751 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU C 32 18.234 22.332 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU C 32 17.053 23.605 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.773 21.934 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.659 21.351 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.200 20.951 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU C 32 19.493 21.925 -4.527 1.00 0.00 H new ATOM 398 N GLN C 33 18.164 25.203 -7.020 1.00 0.00 N ATOM 399 CA GLN C 33 17.750 25.406 -8.436 1.00 0.00 C ATOM 400 C GLN C 33 17.477 24.047 -9.081 1.00 0.00 C ATOM 401 O GLN C 33 18.365 23.415 -9.619 1.00 0.00 O ATOM 402 CB GLN C 33 18.866 26.119 -9.202 1.00 0.00 C ATOM 403 CG GLN C 33 18.253 27.139 -10.163 1.00 0.00 C ATOM 404 CD GLN C 33 19.348 28.072 -10.686 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.204 29.277 -10.646 1.00 0.00 O ATOM 406 NE2 GLN C 33 20.444 27.561 -11.178 1.00 0.00 N ATOM 0 H GLN C 33 19.171 25.173 -6.862 1.00 0.00 H new ATOM 0 HA GLN C 33 16.847 26.015 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.539 26.619 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.462 25.394 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.770 26.626 -10.995 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.482 27.716 -9.653 1.00 0.00 H new ATOM 0 HE21 GLN C 33 20.565 26.549 -11.211 1.00 0.00 H new ATOM 0 HE22 GLN C 33 21.180 28.174 -11.529 1.00 0.00 H new ATOM 415 N ILE C 34 16.256 23.591 -9.029 1.00 0.00 N ATOM 416 CA ILE C 34 15.926 22.273 -9.637 1.00 0.00 C ATOM 417 C ILE C 34 16.602 22.155 -11.004 1.00 0.00 C ATOM 418 O ILE C 34 16.872 23.139 -11.663 1.00 0.00 O ATOM 419 CB ILE C 34 14.412 22.153 -9.804 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.731 22.378 -8.454 1.00 0.00 C ATOM 421 CG2 ILE C 34 14.066 20.755 -10.322 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.345 21.441 -7.411 1.00 0.00 C ATOM 0 H ILE C 34 15.472 24.075 -8.591 1.00 0.00 H new ATOM 0 HA ILE C 34 16.284 21.475 -8.987 1.00 0.00 H new ATOM 0 HB ILE C 34 14.064 22.902 -10.516 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.851 23.416 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.660 22.193 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.986 20.668 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.552 20.593 -11.284 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.413 20.007 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.860 21.601 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE C 34 14.202 20.406 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.411 21.648 -7.319 1.00 0.00 H new ATOM 434 N VAL C 35 16.874 20.954 -11.434 1.00 0.00 N ATOM 435 CA VAL C 35 17.531 20.763 -12.757 1.00 0.00 C ATOM 436 C VAL C 35 16.546 20.114 -13.729 1.00 0.00 C ATOM 437 O VAL C 35 16.005 20.756 -14.607 1.00 0.00 O ATOM 438 CB VAL C 35 18.751 19.854 -12.592 1.00 0.00 C ATOM 439 CG1 VAL C 35 19.364 19.567 -13.963 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.788 20.548 -11.705 1.00 0.00 C ATOM 0 H VAL C 35 16.669 20.094 -10.925 1.00 0.00 H new ATOM 0 HA VAL C 35 17.844 21.731 -13.148 1.00 0.00 H new ATOM 0 HB VAL C 35 18.444 18.916 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL C 35 20.233 18.920 -13.845 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.626 19.073 -14.595 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.670 20.504 -14.428 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.657 19.901 -11.587 1.00 0.00 H new ATOM 0 HG22 VAL C 35 20.094 21.486 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.352 20.752 -10.727 1.00 0.00 H new ATOM 450 N ASN C 36 16.311 18.843 -13.576 1.00 0.00 N ATOM 451 CA ASN C 36 15.361 18.143 -14.485 1.00 0.00 C ATOM 452 C ASN C 36 14.375 17.319 -13.654 1.00 0.00 C ATOM 453 O ASN C 36 14.285 17.468 -12.452 1.00 0.00 O ATOM 454 CB ASN C 36 16.140 17.215 -15.420 1.00 0.00 C ATOM 455 CG ASN C 36 16.144 17.801 -16.834 1.00 0.00 C ATOM 456 OD1 ASN C 36 16.514 18.942 -17.029 1.00 0.00 O ATOM 457 ND2 ASN C 36 15.746 17.063 -17.835 1.00 0.00 N ATOM 0 H ASN C 36 16.737 18.256 -12.859 1.00 0.00 H new ATOM 0 HA ASN C 36 14.814 18.878 -15.076 1.00 0.00 H new ATOM 0 HB2 ASN C 36 17.162 17.095 -15.062 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.686 16.224 -15.427 1.00 0.00 H new ATOM 0 HD21 ASN C 36 15.746 17.444 -18.781 1.00 0.00 H new ATOM 0 HD22 ASN C 36 15.436 16.105 -17.671 1.00 0.00 H new ATOM 464 N ASN C 37 13.634 16.450 -14.285 1.00 0.00 N ATOM 465 CA ASN C 37 12.655 15.619 -13.530 1.00 0.00 C ATOM 466 C ASN C 37 11.595 16.524 -12.902 1.00 0.00 C ATOM 467 O ASN C 37 11.765 17.034 -11.812 1.00 0.00 O ATOM 468 CB ASN C 37 13.383 14.848 -12.427 1.00 0.00 C ATOM 469 CG ASN C 37 14.723 14.338 -12.957 1.00 0.00 C ATOM 470 OD1 ASN C 37 14.765 13.583 -13.908 1.00 0.00 O ATOM 471 ND2 ASN C 37 15.828 14.720 -12.379 1.00 0.00 N ATOM 0 H ASN C 37 13.664 16.280 -15.290 1.00 0.00 H new ATOM 0 HA ASN C 37 12.176 14.915 -14.211 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.544 15.493 -11.564 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.771 14.011 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN C 37 16.727 14.385 -12.725 1.00 0.00 H new ATOM 0 HD22 ASN C 37 15.793 15.354 -11.581 1.00 0.00 H new ATOM 478 N THR C 38 10.499 16.729 -13.582 1.00 0.00 N ATOM 479 CA THR C 38 9.429 17.602 -13.023 1.00 0.00 C ATOM 480 C THR C 38 8.161 16.774 -12.803 1.00 0.00 C ATOM 481 O THR C 38 7.277 17.160 -12.065 1.00 0.00 O ATOM 482 CB THR C 38 9.131 18.738 -14.003 1.00 0.00 C ATOM 483 OG1 THR C 38 8.158 19.605 -13.436 1.00 0.00 O ATOM 484 CG2 THR C 38 8.598 18.158 -15.315 1.00 0.00 C ATOM 0 H THR C 38 10.299 16.330 -14.499 1.00 0.00 H new ATOM 0 HA THR C 38 9.761 18.021 -12.073 1.00 0.00 H new ATOM 0 HB THR C 38 10.046 19.296 -14.202 1.00 0.00 H new ATOM 0 HG1 THR C 38 7.966 20.335 -14.061 1.00 0.00 H new ATOM 0 HG21 THR C 38 8.386 18.969 -16.012 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.345 17.493 -15.749 1.00 0.00 H new ATOM 0 HG23 THR C 38 7.683 17.599 -15.120 1.00 0.00 H new ATOM 492 N GLU C 39 8.068 15.637 -13.436 1.00 0.00 N ATOM 493 CA GLU C 39 6.858 14.785 -13.265 1.00 0.00 C ATOM 494 C GLU C 39 7.265 13.430 -12.680 1.00 0.00 C ATOM 495 O GLU C 39 6.433 12.646 -12.267 1.00 0.00 O ATOM 496 CB GLU C 39 6.187 14.573 -14.623 1.00 0.00 C ATOM 497 CG GLU C 39 4.964 15.486 -14.735 1.00 0.00 C ATOM 498 CD GLU C 39 3.918 14.828 -15.636 1.00 0.00 C ATOM 499 OE1 GLU C 39 4.209 13.773 -16.174 1.00 0.00 O ATOM 500 OE2 GLU C 39 2.844 15.390 -15.772 1.00 0.00 O ATOM 0 H GLU C 39 8.778 15.261 -14.064 1.00 0.00 H new ATOM 0 HA GLU C 39 6.160 15.278 -12.588 1.00 0.00 H new ATOM 0 HB2 GLU C 39 6.891 14.790 -15.426 1.00 0.00 H new ATOM 0 HB3 GLU C 39 5.888 13.531 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU C 39 4.543 15.671 -13.747 1.00 0.00 H new ATOM 0 HG3 GLU C 39 5.255 16.453 -15.144 1.00 0.00 H new ATOM 507 N GLY C 40 8.538 13.147 -12.642 1.00 0.00 N ATOM 508 CA GLY C 40 8.994 11.844 -12.085 1.00 0.00 C ATOM 509 C GLY C 40 8.789 11.839 -10.568 1.00 0.00 C ATOM 510 O GLY C 40 7.772 12.278 -10.068 1.00 0.00 O ATOM 0 H GLY C 40 9.281 13.762 -12.973 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.436 11.026 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY C 40 10.046 11.683 -12.321 1.00 0.00 H new ATOM 514 N ASP C 41 9.748 11.347 -9.833 1.00 0.00 N ATOM 515 CA ASP C 41 9.609 11.314 -8.350 1.00 0.00 C ATOM 516 C ASP C 41 10.809 12.018 -7.714 1.00 0.00 C ATOM 517 O ASP C 41 10.661 12.951 -6.951 1.00 0.00 O ATOM 518 CB ASP C 41 9.557 9.861 -7.873 1.00 0.00 C ATOM 519 CG ASP C 41 8.175 9.276 -8.172 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.253 9.579 -7.433 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.062 8.536 -9.135 1.00 0.00 O ATOM 0 H ASP C 41 10.622 10.966 -10.196 1.00 0.00 H new ATOM 0 HA ASP C 41 8.690 11.823 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.328 9.275 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.762 9.810 -6.804 1.00 0.00 H new ATOM 526 N TRP C 42 11.998 11.578 -8.024 1.00 0.00 N ATOM 527 CA TRP C 42 13.207 12.223 -7.438 1.00 0.00 C ATOM 528 C TRP C 42 13.762 13.244 -8.431 1.00 0.00 C ATOM 529 O TRP C 42 13.790 13.010 -9.622 1.00 0.00 O ATOM 530 CB TRP C 42 14.268 11.157 -7.158 1.00 0.00 C ATOM 531 CG TRP C 42 14.031 10.555 -5.773 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.275 9.475 -5.522 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.540 11.029 -4.638 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.359 9.333 -4.198 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.127 10.259 -3.568 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.367 12.114 -4.430 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.543 10.575 -2.291 1.00 0.00 C ATOM 538 CZ3 TRP C 42 15.781 12.429 -3.151 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.370 11.659 -2.083 1.00 0.00 C ATOM 0 H TRP C 42 12.184 10.800 -8.657 1.00 0.00 H new ATOM 0 HA TRP C 42 12.941 12.723 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.225 10.377 -7.918 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.264 11.597 -7.210 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.728 8.865 -6.225 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.882 8.584 -3.696 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.690 12.716 -5.267 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.221 9.973 -1.454 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.427 13.279 -2.987 1.00 0.00 H new ATOM 0 HH2 TRP C 42 15.696 11.905 -1.083 1.00 0.00 H new ATOM 550 N TRP C 43 14.205 14.376 -7.956 1.00 0.00 N ATOM 551 CA TRP C 43 14.754 15.402 -8.887 1.00 0.00 C ATOM 552 C TRP C 43 16.198 15.731 -8.504 1.00 0.00 C ATOM 553 O TRP C 43 16.690 15.317 -7.475 1.00 0.00 O ATOM 554 CB TRP C 43 13.915 16.678 -8.798 1.00 0.00 C ATOM 555 CG TRP C 43 12.436 16.350 -9.013 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.968 15.320 -9.737 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.423 17.056 -8.518 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.641 15.453 -9.647 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.216 16.509 -8.905 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.448 18.186 -7.724 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.033 17.093 -8.497 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.266 18.768 -7.316 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.059 18.222 -7.703 1.00 0.00 C ATOM 0 H TRP C 43 14.211 14.634 -6.969 1.00 0.00 H new ATOM 0 HA TRP C 43 14.724 15.009 -9.903 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.054 17.147 -7.824 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.249 17.395 -9.547 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.530 14.564 -10.266 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.994 14.809 -10.102 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.393 18.614 -7.423 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.088 16.667 -8.799 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.285 19.651 -6.694 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.134 18.679 -7.384 1.00 0.00 H new ATOM 574 N LEU C 44 16.878 16.472 -9.335 1.00 0.00 N ATOM 575 CA LEU C 44 18.289 16.840 -9.035 1.00 0.00 C ATOM 576 C LEU C 44 18.396 18.362 -9.055 1.00 0.00 C ATOM 577 O LEU C 44 18.157 18.993 -10.063 1.00 0.00 O ATOM 578 CB LEU C 44 19.216 16.248 -10.097 1.00 0.00 C ATOM 579 CG LEU C 44 20.653 16.700 -9.826 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.513 15.484 -9.478 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.216 17.381 -11.074 1.00 0.00 C ATOM 0 H LEU C 44 16.514 16.840 -10.214 1.00 0.00 H new ATOM 0 HA LEU C 44 18.580 16.450 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU C 44 19.156 15.160 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.903 16.571 -11.090 1.00 0.00 H new ATOM 0 HG LEU C 44 20.662 17.402 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.536 15.805 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU C 44 21.112 14.997 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.504 14.782 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.239 17.703 -10.882 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.207 16.678 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.603 18.247 -11.323 1.00 0.00 H new ATOM 593 N ALA C 45 18.752 18.964 -7.958 1.00 0.00 N ATOM 594 CA ALA C 45 18.863 20.448 -7.942 1.00 0.00 C ATOM 595 C ALA C 45 20.274 20.874 -7.535 1.00 0.00 C ATOM 596 O ALA C 45 21.082 20.075 -7.101 1.00 0.00 O ATOM 597 CB ALA C 45 17.853 21.020 -6.947 1.00 0.00 C ATOM 0 H ALA C 45 18.970 18.498 -7.077 1.00 0.00 H new ATOM 0 HA ALA C 45 18.656 20.828 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA C 45 17.932 22.107 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.845 20.733 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.061 20.628 -5.951 1.00 0.00 H new ATOM 603 N HIS C 46 20.566 22.137 -7.679 1.00 0.00 N ATOM 604 CA HIS C 46 21.914 22.648 -7.310 1.00 0.00 C ATOM 605 C HIS C 46 21.765 24.035 -6.676 1.00 0.00 C ATOM 606 O HIS C 46 21.351 24.980 -7.318 1.00 0.00 O ATOM 607 CB HIS C 46 22.778 22.743 -8.574 1.00 0.00 C ATOM 608 CG HIS C 46 23.972 23.669 -8.324 1.00 0.00 C ATOM 609 ND1 HIS C 46 25.002 23.368 -7.650 1.00 0.00 N ATOM 610 CD2 HIS C 46 24.189 24.968 -8.746 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.823 24.348 -7.618 1.00 0.00 C ATOM 612 NE2 HIS C 46 25.377 25.397 -8.292 1.00 0.00 N ATOM 0 H HIS C 46 19.923 22.842 -8.039 1.00 0.00 H new ATOM 0 HA HIS C 46 22.390 21.973 -6.598 1.00 0.00 H new ATOM 0 HB2 HIS C 46 23.130 21.752 -8.859 1.00 0.00 H new ATOM 0 HB3 HIS C 46 22.182 23.121 -9.404 1.00 0.00 H new ATOM 0 HD2 HIS C 46 23.507 25.549 -9.349 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.771 24.323 -7.101 1.00 0.00 H new ATOM 0 HE2 HIS C 46 25.824 26.303 -8.431 1.00 0.00 H new ATOM 620 N SER C 47 22.097 24.166 -5.419 1.00 0.00 N ATOM 621 CA SER C 47 21.971 25.493 -4.754 1.00 0.00 C ATOM 622 C SER C 47 22.999 26.459 -5.344 1.00 0.00 C ATOM 623 O SER C 47 23.895 26.062 -6.062 1.00 0.00 O ATOM 624 CB SER C 47 22.219 25.341 -3.251 1.00 0.00 C ATOM 625 OG SER C 47 21.414 24.288 -2.741 1.00 0.00 O ATOM 0 H SER C 47 22.449 23.414 -4.827 1.00 0.00 H new ATOM 0 HA SER C 47 20.967 25.885 -4.917 1.00 0.00 H new ATOM 0 HB2 SER C 47 23.272 25.130 -3.065 1.00 0.00 H new ATOM 0 HB3 SER C 47 21.985 26.273 -2.737 1.00 0.00 H new ATOM 0 HG SER C 47 21.574 24.190 -1.779 1.00 0.00 H new ATOM 631 N LEU C 48 22.878 27.724 -5.049 1.00 0.00 N ATOM 632 CA LEU C 48 23.850 28.711 -5.595 1.00 0.00 C ATOM 633 C LEU C 48 24.714 29.260 -4.458 1.00 0.00 C ATOM 634 O LEU C 48 25.906 29.441 -4.603 1.00 0.00 O ATOM 635 CB LEU C 48 23.092 29.861 -6.260 1.00 0.00 C ATOM 636 CG LEU C 48 22.161 29.304 -7.338 1.00 0.00 C ATOM 637 CD1 LEU C 48 21.293 30.435 -7.893 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.994 28.697 -8.469 1.00 0.00 C ATOM 0 H LEU C 48 22.148 28.116 -4.454 1.00 0.00 H new ATOM 0 HA LEU C 48 24.487 28.222 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.516 30.409 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.796 30.567 -6.702 1.00 0.00 H new ATOM 0 HG LEU C 48 21.523 28.534 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU C 48 20.629 30.040 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.699 30.867 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU C 48 21.932 31.205 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU C 48 22.330 28.300 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.633 29.466 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.613 27.892 -8.073 1.00 0.00 H new ATOM 650 N THR C 49 24.121 29.527 -3.328 1.00 0.00 N ATOM 651 CA THR C 49 24.905 30.064 -2.181 1.00 0.00 C ATOM 652 C THR C 49 26.218 29.289 -2.048 1.00 0.00 C ATOM 653 O THR C 49 27.253 29.718 -2.515 1.00 0.00 O ATOM 654 CB THR C 49 24.090 29.914 -0.895 1.00 0.00 C ATOM 655 OG1 THR C 49 22.986 30.808 -0.930 1.00 0.00 O ATOM 656 CG2 THR C 49 24.973 30.236 0.312 1.00 0.00 C ATOM 0 H THR C 49 23.125 29.396 -3.149 1.00 0.00 H new ATOM 0 HA THR C 49 25.125 31.118 -2.353 1.00 0.00 H new ATOM 0 HB THR C 49 23.726 28.890 -0.812 1.00 0.00 H new ATOM 0 HG1 THR C 49 22.461 30.712 -0.108 1.00 0.00 H new ATOM 0 HG21 THR C 49 24.391 30.129 1.227 1.00 0.00 H new ATOM 0 HG22 THR C 49 25.819 29.549 0.337 1.00 0.00 H new ATOM 0 HG23 THR C 49 25.339 31.260 0.232 1.00 0.00 H new ATOM 664 N THR C 50 26.182 28.150 -1.412 1.00 0.00 N ATOM 665 CA THR C 50 27.427 27.348 -1.250 1.00 0.00 C ATOM 666 C THR C 50 27.577 26.392 -2.434 1.00 0.00 C ATOM 667 O THR C 50 28.655 25.908 -2.722 1.00 0.00 O ATOM 668 CB THR C 50 27.347 26.542 0.049 1.00 0.00 C ATOM 669 OG1 THR C 50 25.982 26.330 0.387 1.00 0.00 O ATOM 670 CG2 THR C 50 28.039 27.312 1.174 1.00 0.00 C ATOM 0 H THR C 50 25.345 27.741 -0.998 1.00 0.00 H new ATOM 0 HA THR C 50 28.287 28.016 -1.212 1.00 0.00 H new ATOM 0 HB THR C 50 27.843 25.581 -0.087 1.00 0.00 H new ATOM 0 HG1 THR C 50 25.927 25.813 1.217 1.00 0.00 H new ATOM 0 HG21 THR C 50 27.981 26.737 2.098 1.00 0.00 H new ATOM 0 HG22 THR C 50 29.085 27.475 0.913 1.00 0.00 H new ATOM 0 HG23 THR C 50 27.545 28.274 1.314 1.00 0.00 H new ATOM 678 N GLY C 51 26.506 26.116 -3.125 1.00 0.00 N ATOM 679 CA GLY C 51 26.585 25.191 -4.290 1.00 0.00 C ATOM 680 C GLY C 51 25.590 24.046 -4.095 1.00 0.00 C ATOM 681 O GLY C 51 24.447 24.132 -4.498 1.00 0.00 O ATOM 0 H GLY C 51 25.578 26.492 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.362 25.729 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY C 51 27.596 24.796 -4.388 1.00 0.00 H new ATOM 685 N GLN C 52 26.015 22.976 -3.479 1.00 0.00 N ATOM 686 CA GLN C 52 25.093 21.825 -3.257 1.00 0.00 C ATOM 687 C GLN C 52 24.591 21.295 -4.602 1.00 0.00 C ATOM 688 O GLN C 52 24.122 22.039 -5.441 1.00 0.00 O ATOM 689 CB GLN C 52 23.902 22.284 -2.414 1.00 0.00 C ATOM 690 CG GLN C 52 24.006 21.678 -1.013 1.00 0.00 C ATOM 691 CD GLN C 52 25.412 21.910 -0.459 1.00 0.00 C ATOM 692 OE1 GLN C 52 26.318 21.146 -0.728 1.00 0.00 O ATOM 693 NE2 GLN C 52 25.635 22.940 0.310 1.00 0.00 N ATOM 0 H GLN C 52 26.961 22.849 -3.120 1.00 0.00 H new ATOM 0 HA GLN C 52 25.627 21.031 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN C 52 23.885 23.372 -2.351 1.00 0.00 H new ATOM 0 HB3 GLN C 52 22.969 21.977 -2.886 1.00 0.00 H new ATOM 0 HG2 GLN C 52 23.265 22.130 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN C 52 23.790 20.610 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN C 52 24.875 23.582 0.536 1.00 0.00 H new ATOM 0 HE22 GLN C 52 26.569 23.104 0.685 1.00 0.00 H new ATOM 702 N THR C 53 24.687 20.012 -4.816 1.00 0.00 N ATOM 703 CA THR C 53 24.217 19.432 -6.105 1.00 0.00 C ATOM 704 C THR C 53 23.979 17.928 -5.917 1.00 0.00 C ATOM 705 O THR C 53 24.875 17.191 -5.560 1.00 0.00 O ATOM 706 CB THR C 53 25.280 19.704 -7.195 1.00 0.00 C ATOM 707 OG1 THR C 53 24.701 20.498 -8.219 1.00 0.00 O ATOM 708 CG2 THR C 53 25.807 18.398 -7.811 1.00 0.00 C ATOM 0 H THR C 53 25.071 19.339 -4.153 1.00 0.00 H new ATOM 0 HA THR C 53 23.279 19.891 -6.418 1.00 0.00 H new ATOM 0 HB THR C 53 26.118 20.223 -6.730 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.951 21.436 -8.086 1.00 0.00 H new ATOM 0 HG21 THR C 53 26.552 18.629 -8.573 1.00 0.00 H new ATOM 0 HG22 THR C 53 26.262 17.786 -7.032 1.00 0.00 H new ATOM 0 HG23 THR C 53 24.981 17.851 -8.266 1.00 0.00 H new ATOM 716 N GLY C 54 22.780 17.466 -6.153 1.00 0.00 N ATOM 717 CA GLY C 54 22.511 16.010 -5.981 1.00 0.00 C ATOM 718 C GLY C 54 21.020 15.719 -6.170 1.00 0.00 C ATOM 719 O GLY C 54 20.235 16.595 -6.482 1.00 0.00 O ATOM 0 H GLY C 54 21.983 18.027 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.094 15.438 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.828 15.689 -4.989 1.00 0.00 H new ATOM 723 N TYR C 55 20.631 14.486 -5.981 1.00 0.00 N ATOM 724 CA TYR C 55 19.199 14.112 -6.144 1.00 0.00 C ATOM 725 C TYR C 55 18.420 14.513 -4.889 1.00 0.00 C ATOM 726 O TYR C 55 18.492 13.858 -3.868 1.00 0.00 O ATOM 727 CB TYR C 55 19.091 12.597 -6.336 1.00 0.00 C ATOM 728 CG TYR C 55 19.071 12.257 -7.830 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.516 13.169 -8.766 1.00 0.00 C ATOM 730 CD2 TYR C 55 18.611 11.030 -8.259 1.00 0.00 C ATOM 731 CE1 TYR C 55 19.500 12.855 -10.111 1.00 0.00 C ATOM 732 CE2 TYR C 55 18.594 10.716 -9.603 1.00 0.00 C ATOM 733 CZ TYR C 55 19.039 11.627 -10.539 1.00 0.00 C ATOM 734 OH TYR C 55 19.025 11.313 -11.882 1.00 0.00 O ATOM 0 H TYR C 55 21.249 13.718 -5.719 1.00 0.00 H new ATOM 0 HA TYR C 55 18.786 14.626 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.932 12.100 -5.853 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.185 12.225 -5.858 1.00 0.00 H new ATOM 0 HD1 TYR C 55 19.879 14.134 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR C 55 18.261 10.308 -7.537 1.00 0.00 H new ATOM 0 HE1 TYR C 55 19.851 13.577 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR C 55 18.230 9.751 -9.924 1.00 0.00 H new ATOM 0 HH TYR C 55 18.670 10.408 -12.003 1.00 0.00 H new ATOM 744 N ILE C 56 17.678 15.584 -4.952 1.00 0.00 N ATOM 745 CA ILE C 56 16.899 16.017 -3.760 1.00 0.00 C ATOM 746 C ILE C 56 15.471 15.466 -3.859 1.00 0.00 C ATOM 747 O ILE C 56 14.895 15.441 -4.931 1.00 0.00 O ATOM 748 CB ILE C 56 16.856 17.546 -3.706 1.00 0.00 C ATOM 749 CG1 ILE C 56 16.090 18.080 -4.919 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.284 18.097 -3.727 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.745 18.651 -4.462 1.00 0.00 C ATOM 0 H ILE C 56 17.578 16.177 -5.776 1.00 0.00 H new ATOM 0 HA ILE C 56 17.374 15.637 -2.855 1.00 0.00 H new ATOM 0 HB ILE C 56 16.355 17.862 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.674 18.852 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.931 17.281 -5.643 1.00 0.00 H new ATOM 0 HG21 ILE C 56 18.254 19.186 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.833 17.718 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.783 17.780 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.199 19.031 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.161 17.866 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.916 19.462 -3.754 1.00 0.00 H new ATOM 763 N PRO C 57 14.943 15.031 -2.740 1.00 0.00 N ATOM 764 CA PRO C 57 13.579 14.476 -2.683 1.00 0.00 C ATOM 765 C PRO C 57 12.559 15.532 -3.120 1.00 0.00 C ATOM 766 O PRO C 57 12.744 16.713 -2.905 1.00 0.00 O ATOM 767 CB PRO C 57 13.366 14.098 -1.212 1.00 0.00 C ATOM 768 CG PRO C 57 14.655 14.478 -0.437 1.00 0.00 C ATOM 769 CD PRO C 57 15.659 15.052 -1.449 1.00 0.00 C ATOM 0 HA PRO C 57 13.453 13.620 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.504 14.625 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.163 13.031 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.433 15.211 0.338 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.073 13.603 0.062 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.959 16.065 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.567 14.451 -1.490 1.00 0.00 H new ATOM 777 N SER C 58 11.484 15.114 -3.729 1.00 0.00 N ATOM 778 CA SER C 58 10.455 16.090 -4.177 1.00 0.00 C ATOM 779 C SER C 58 9.501 16.392 -3.018 1.00 0.00 C ATOM 780 O SER C 58 8.468 17.006 -3.195 1.00 0.00 O ATOM 781 CB SER C 58 9.670 15.496 -5.352 1.00 0.00 C ATOM 782 OG SER C 58 8.363 15.140 -4.927 1.00 0.00 O ATOM 0 H SER C 58 11.275 14.137 -3.935 1.00 0.00 H new ATOM 0 HA SER C 58 10.939 17.014 -4.495 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.613 16.219 -6.166 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.187 14.619 -5.740 1.00 0.00 H new ATOM 0 HG SER C 58 7.949 15.902 -4.470 1.00 0.00 H new ATOM 788 N ASN C 59 9.840 15.966 -1.832 1.00 0.00 N ATOM 789 CA ASN C 59 8.953 16.228 -0.664 1.00 0.00 C ATOM 790 C ASN C 59 9.684 17.119 0.343 1.00 0.00 C ATOM 791 O ASN C 59 9.090 17.652 1.259 1.00 0.00 O ATOM 792 CB ASN C 59 8.579 14.903 0.003 1.00 0.00 C ATOM 793 CG ASN C 59 7.294 14.359 -0.626 1.00 0.00 C ATOM 794 OD1 ASN C 59 7.245 14.102 -1.812 1.00 0.00 O ATOM 795 ND2 ASN C 59 6.244 14.173 0.126 1.00 0.00 N ATOM 0 H ASN C 59 10.693 15.448 -1.622 1.00 0.00 H new ATOM 0 HA ASN C 59 8.047 16.731 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN C 59 9.388 14.183 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN C 59 8.438 15.050 1.074 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.382 13.812 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.285 14.389 1.122 1.00 0.00 H new ATOM 802 N TYR C 60 10.970 17.282 0.184 1.00 0.00 N ATOM 803 CA TYR C 60 11.736 18.139 1.133 1.00 0.00 C ATOM 804 C TYR C 60 11.941 19.520 0.514 1.00 0.00 C ATOM 805 O TYR C 60 12.620 20.361 1.066 1.00 0.00 O ATOM 806 CB TYR C 60 13.100 17.503 1.414 1.00 0.00 C ATOM 807 CG TYR C 60 12.933 16.313 2.367 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.683 15.794 2.640 1.00 0.00 C ATOM 809 CD2 TYR C 60 14.037 15.735 2.956 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.541 14.712 3.484 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.896 14.652 3.802 1.00 0.00 C ATOM 812 CZ TYR C 60 12.646 14.133 4.072 1.00 0.00 C ATOM 813 OH TYR C 60 12.505 13.052 4.919 1.00 0.00 O ATOM 0 H TYR C 60 11.523 16.859 -0.562 1.00 0.00 H new ATOM 0 HA TYR C 60 11.180 18.233 2.066 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.556 17.172 0.481 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.772 18.241 1.853 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.809 16.239 2.189 1.00 0.00 H new ATOM 0 HD2 TYR C 60 15.021 16.132 2.754 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.557 14.315 3.686 1.00 0.00 H new ATOM 0 HE2 TYR C 60 14.770 14.208 4.255 1.00 0.00 H new ATOM 0 HH TYR C 60 11.560 12.800 4.973 1.00 0.00 H new ATOM 823 N VAL C 61 11.360 19.756 -0.633 1.00 0.00 N ATOM 824 CA VAL C 61 11.517 21.081 -1.296 1.00 0.00 C ATOM 825 C VAL C 61 10.158 21.538 -1.825 1.00 0.00 C ATOM 826 O VAL C 61 9.174 20.833 -1.733 1.00 0.00 O ATOM 827 CB VAL C 61 12.499 20.951 -2.464 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.853 20.140 -3.590 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.890 22.331 -2.988 1.00 0.00 C ATOM 0 H VAL C 61 10.782 19.085 -1.139 1.00 0.00 H new ATOM 0 HA VAL C 61 11.898 21.809 -0.580 1.00 0.00 H new ATOM 0 HB VAL C 61 13.396 20.441 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.553 20.048 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.595 19.147 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.950 20.646 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL C 61 13.588 22.221 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.998 22.856 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL C 61 13.363 22.903 -2.190 1.00 0.00 H new ATOM 839 N ALA C 62 10.104 22.711 -2.377 1.00 0.00 N ATOM 840 CA ALA C 62 8.813 23.225 -2.916 1.00 0.00 C ATOM 841 C ALA C 62 9.069 24.510 -3.711 1.00 0.00 C ATOM 842 O ALA C 62 9.925 25.295 -3.355 1.00 0.00 O ATOM 843 CB ALA C 62 7.859 23.523 -1.758 1.00 0.00 C ATOM 0 H ALA C 62 10.899 23.342 -2.481 1.00 0.00 H new ATOM 0 HA ALA C 62 8.367 22.475 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.915 23.899 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.678 22.610 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.304 24.273 -1.104 1.00 0.00 H new ATOM 849 N PRO C 63 8.318 24.686 -4.769 1.00 0.00 N ATOM 850 CA PRO C 63 8.448 25.873 -5.632 1.00 0.00 C ATOM 851 C PRO C 63 8.132 27.140 -4.834 1.00 0.00 C ATOM 852 O PRO C 63 7.013 27.358 -4.416 1.00 0.00 O ATOM 853 CB PRO C 63 7.414 25.666 -6.746 1.00 0.00 C ATOM 854 CG PRO C 63 6.668 24.337 -6.455 1.00 0.00 C ATOM 855 CD PRO C 63 7.283 23.723 -5.188 1.00 0.00 C ATOM 0 HA PRO C 63 9.456 25.990 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.713 26.500 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.903 25.625 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.603 24.520 -6.313 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.764 23.652 -7.297 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.532 23.586 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.714 22.743 -5.392 1.00 0.00 H new ATOM 863 N SER C 64 9.109 27.978 -4.621 1.00 0.00 N ATOM 864 CA SER C 64 8.861 29.230 -3.852 1.00 0.00 C ATOM 865 C SER C 64 9.023 30.437 -4.776 1.00 0.00 C ATOM 866 O SER C 64 9.564 30.264 -5.856 1.00 0.00 O ATOM 867 CB SER C 64 9.865 29.328 -2.701 1.00 0.00 C ATOM 868 OG SER C 64 9.213 29.831 -1.545 1.00 0.00 O ATOM 869 OXT SER C 64 8.604 31.516 -4.389 1.00 0.00 O ATOM 0 H SER C 64 10.067 27.850 -4.946 1.00 0.00 H new ATOM 0 HA SER C 64 7.848 29.215 -3.450 1.00 0.00 H new ATOM 0 HB2 SER C 64 10.292 28.347 -2.493 1.00 0.00 H new ATOM 0 HB3 SER C 64 10.691 29.983 -2.980 1.00 0.00 H new ATOM 0 HG SER C 64 9.856 29.892 -0.808 1.00 0.00 H new ATOM 876 N ALA A 71 11.696 18.661 12.159 1.00 0.00 N ATOM 877 CA ALA A 71 12.791 17.918 12.844 1.00 0.00 C ATOM 878 C ALA A 71 12.750 16.447 12.425 1.00 0.00 C ATOM 879 O ALA A 71 13.771 15.819 12.228 1.00 0.00 O ATOM 880 CB ALA A 71 12.607 18.021 14.359 1.00 0.00 C ATOM 0 HA ALA A 71 13.752 18.349 12.564 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.408 17.478 14.861 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.636 19.069 14.659 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.646 17.590 14.639 1.00 0.00 H new ATOM 888 N PHE A 72 11.576 15.891 12.289 1.00 0.00 N ATOM 889 CA PHE A 72 11.472 14.461 11.883 1.00 0.00 C ATOM 890 C PHE A 72 10.635 14.347 10.607 1.00 0.00 C ATOM 891 O PHE A 72 9.550 13.799 10.613 1.00 0.00 O ATOM 892 CB PHE A 72 10.803 13.660 13.003 1.00 0.00 C ATOM 893 CG PHE A 72 11.830 13.338 14.091 1.00 0.00 C ATOM 894 CD1 PHE A 72 13.056 12.790 13.759 1.00 0.00 C ATOM 895 CD2 PHE A 72 11.543 13.587 15.421 1.00 0.00 C ATOM 896 CE1 PHE A 72 13.979 12.495 14.744 1.00 0.00 C ATOM 897 CE2 PHE A 72 12.466 13.293 16.403 1.00 0.00 C ATOM 898 CZ PHE A 72 13.683 12.747 16.064 1.00 0.00 C ATOM 0 H PHE A 72 10.686 16.365 12.441 1.00 0.00 H new ATOM 0 HA PHE A 72 12.471 14.066 11.697 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.976 14.230 13.427 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.382 12.738 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.293 12.592 12.724 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.589 14.015 15.693 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.934 12.066 14.478 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.233 13.491 17.439 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.405 12.517 16.833 1.00 0.00 H new ATOM 908 N ALA A 73 11.126 14.860 9.510 1.00 0.00 N ATOM 909 CA ALA A 73 10.353 14.776 8.238 1.00 0.00 C ATOM 910 C ALA A 73 10.002 13.312 7.957 1.00 0.00 C ATOM 911 O ALA A 73 10.665 12.416 8.439 1.00 0.00 O ATOM 912 CB ALA A 73 11.200 15.327 7.089 1.00 0.00 C ATOM 0 H ALA A 73 12.027 15.333 9.440 1.00 0.00 H new ATOM 0 HA ALA A 73 9.438 15.362 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.635 15.266 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.455 16.367 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.114 14.741 6.997 1.00 0.00 H new ATOM 918 N PRO A 74 8.964 13.113 7.184 1.00 0.00 N ATOM 919 CA PRO A 74 8.504 11.762 6.823 1.00 0.00 C ATOM 920 C PRO A 74 9.604 11.014 6.061 1.00 0.00 C ATOM 921 O PRO A 74 10.545 11.619 5.584 1.00 0.00 O ATOM 922 CB PRO A 74 7.281 11.989 5.923 1.00 0.00 C ATOM 923 CG PRO A 74 7.075 13.521 5.786 1.00 0.00 C ATOM 924 CD PRO A 74 8.173 14.216 6.607 1.00 0.00 C ATOM 0 HA PRO A 74 8.260 11.159 7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.437 11.535 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.396 11.521 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.131 13.822 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.088 13.808 6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.790 14.859 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.745 14.847 7.386 1.00 0.00 H new ATOM 932 N PRO A 75 9.451 9.718 5.968 1.00 0.00 N ATOM 933 CA PRO A 75 10.423 8.860 5.267 1.00 0.00 C ATOM 934 C PRO A 75 10.535 9.279 3.799 1.00 0.00 C ATOM 935 O PRO A 75 9.675 9.954 3.270 1.00 0.00 O ATOM 936 CB PRO A 75 9.851 7.441 5.382 1.00 0.00 C ATOM 937 CG PRO A 75 8.524 7.531 6.182 1.00 0.00 C ATOM 938 CD PRO A 75 8.299 9.006 6.552 1.00 0.00 C ATOM 0 HA PRO A 75 11.424 8.932 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.673 7.019 4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.558 6.783 5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.692 7.155 5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.577 6.915 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.357 9.377 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.256 9.141 7.633 1.00 0.00 H new ATOM 946 N LEU A 76 11.589 8.887 3.137 1.00 0.00 N ATOM 947 CA LEU A 76 11.753 9.264 1.705 1.00 0.00 C ATOM 948 C LEU A 76 10.979 8.275 0.827 1.00 0.00 C ATOM 949 O LEU A 76 10.816 7.126 1.188 1.00 0.00 O ATOM 950 CB LEU A 76 13.236 9.220 1.330 1.00 0.00 C ATOM 951 CG LEU A 76 13.938 10.472 1.860 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.448 10.338 1.649 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.426 11.701 1.106 1.00 0.00 C ATOM 0 H LEU A 76 12.344 8.322 3.526 1.00 0.00 H new ATOM 0 HA LEU A 76 11.368 10.272 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.700 8.327 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.346 9.160 0.247 1.00 0.00 H new ATOM 0 HG LEU A 76 13.728 10.584 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.949 11.230 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.814 9.462 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.658 10.227 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.926 12.593 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.637 11.589 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.350 11.797 1.255 1.00 0.00 H new ATOM 965 N PRO A 77 10.526 8.753 -0.304 1.00 0.00 N ATOM 966 CA PRO A 77 9.762 7.925 -1.255 1.00 0.00 C ATOM 967 C PRO A 77 10.622 6.759 -1.751 1.00 0.00 C ATOM 968 O PRO A 77 11.700 6.512 -1.247 1.00 0.00 O ATOM 969 CB PRO A 77 9.418 8.871 -2.413 1.00 0.00 C ATOM 970 CG PRO A 77 10.027 10.260 -2.083 1.00 0.00 C ATOM 971 CD PRO A 77 10.733 10.151 -0.723 1.00 0.00 C ATOM 0 HA PRO A 77 8.870 7.491 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.821 8.490 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.338 8.947 -2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.733 10.561 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.247 11.021 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.794 10.386 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.309 10.848 0.000 1.00 0.00 H new ATOM 979 N ARG A 78 10.154 6.040 -2.735 1.00 0.00 N ATOM 980 CA ARG A 78 10.944 4.892 -3.262 1.00 0.00 C ATOM 981 C ARG A 78 11.530 5.259 -4.627 1.00 0.00 C ATOM 982 O ARG A 78 11.006 6.099 -5.332 1.00 0.00 O ATOM 983 CB ARG A 78 10.035 3.670 -3.410 1.00 0.00 C ATOM 984 CG ARG A 78 8.969 3.951 -4.471 1.00 0.00 C ATOM 985 CD ARG A 78 7.762 3.042 -4.236 1.00 0.00 C ATOM 986 NE ARG A 78 8.232 1.678 -3.859 1.00 0.00 N ATOM 987 CZ ARG A 78 8.725 0.880 -4.768 1.00 0.00 C ATOM 988 NH1 ARG A 78 8.807 1.270 -6.011 1.00 0.00 N ATOM 989 NH2 ARG A 78 9.134 -0.314 -4.432 1.00 0.00 N ATOM 0 H ARG A 78 9.258 6.198 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 78 11.753 4.661 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.624 2.798 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.561 3.438 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.664 4.997 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.378 3.780 -5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.133 3.452 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.151 2.991 -5.137 1.00 0.00 H new ATOM 0 HE ARG A 78 8.168 1.368 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.485 2.201 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.193 0.644 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.068 -0.621 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.519 -0.939 -5.140 1.00 0.00 H new ATOM 1003 N ARG A 79 12.614 4.638 -5.006 1.00 0.00 N ATOM 1004 CA ARG A 79 13.231 4.953 -6.324 1.00 0.00 C ATOM 1005 C ARG A 79 13.116 3.737 -7.246 1.00 0.00 C ATOM 1006 O ARG A 79 13.488 3.857 -8.402 1.00 0.00 O ATOM 1007 CB ARG A 79 14.707 5.306 -6.127 1.00 0.00 C ATOM 1008 CG ARG A 79 14.888 6.016 -4.785 1.00 0.00 C ATOM 1009 CD ARG A 79 15.910 7.144 -4.938 1.00 0.00 C ATOM 1010 NE ARG A 79 16.158 7.773 -3.610 1.00 0.00 N ATOM 1011 CZ ARG A 79 17.054 8.716 -3.486 1.00 0.00 C ATOM 1012 NH1 ARG A 79 17.738 9.111 -4.527 1.00 0.00 N ATOM 1013 NH2 ARG A 79 17.267 9.263 -2.322 1.00 0.00 N ATOM 1014 OXT ARG A 79 12.658 2.707 -6.780 1.00 0.00 O ATOM 0 H ARG A 79 13.098 3.926 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 79 12.712 5.800 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.315 4.402 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 79 15.050 5.948 -6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.935 6.419 -4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.224 5.307 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 79 16.842 6.752 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.542 7.890 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 79 15.627 7.466 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.573 8.683 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.437 9.847 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.734 8.955 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.966 9.999 -2.225 1.00 0.00 H new