USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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 1 MET N :NH3+ -126:sc= -0.0688 (180deg=-0.313) USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.615 F(o=-2.3,f=-0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 54:sc= 0.749 USER MOD Single : A 5 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -3.04! USER MOD Single : A 9 MET CE :methyl 149:sc= -15.1! (180deg=-17.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0.186 F(o=-1.3!,f=0.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.00031) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.1,f=-0.042) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.0543 (180deg=-0.443) USER MOD Single : A 65 CYS SG : rot -16:sc= 0.281 USER MOD Single : A 68 ASN : amide:sc= -14.5! C(o=-14!,f=-17!) USER MOD Single : A 71 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.026) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 85 MET CE :methyl -179:sc= -14.5! (180deg=-14.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.83 K(o=-0.83,f=-6.4!) USER MOD Single : A 105 ASN : amide:sc= -2.97! C(o=-3!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.088 17.274 -2.163 1.00 0.00 N ATOM 2 CA MET A 1 3.790 17.716 -0.970 1.00 0.00 C ATOM 3 C MET A 1 3.747 19.241 -0.843 1.00 0.00 C ATOM 4 O MET A 1 3.321 19.772 0.181 1.00 0.00 O ATOM 5 CB MET A 1 5.245 17.249 -1.031 1.00 0.00 C ATOM 6 CG MET A 1 5.849 17.154 0.372 1.00 0.00 C ATOM 7 SD MET A 1 7.348 18.120 0.458 1.00 0.00 S ATOM 8 CE MET A 1 7.066 18.994 1.989 1.00 0.00 C ATOM 0 H1 MET A 1 2.371 16.567 -1.902 1.00 0.00 H new ATOM 0 H2 MET A 1 2.624 18.088 -2.614 1.00 0.00 H new ATOM 0 H3 MET A 1 3.766 16.850 -2.828 1.00 0.00 H new ATOM 0 HA MET A 1 3.297 17.283 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.298 16.277 -1.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.829 17.943 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.132 17.513 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.063 16.113 0.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.913 19.648 2.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.158 19.592 1.905 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.954 18.277 2.802 1.00 0.00 H new ATOM 16 N SER A 2 4.195 19.903 -1.901 1.00 0.00 N ATOM 17 CA SER A 2 4.214 21.356 -1.921 1.00 0.00 C ATOM 18 C SER A 2 3.295 21.875 -3.028 1.00 0.00 C ATOM 19 O SER A 2 2.324 22.579 -2.753 1.00 0.00 O ATOM 20 CB SER A 2 5.635 21.885 -2.119 1.00 0.00 C ATOM 21 OG SER A 2 5.972 22.885 -1.161 1.00 0.00 O ATOM 0 H SER A 2 4.547 19.460 -2.750 1.00 0.00 H new ATOM 0 HA SER A 2 3.852 21.717 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.343 21.059 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.731 22.298 -3.123 1.00 0.00 H new ATOM 0 HG SER A 2 6.888 23.196 -1.321 1.00 0.00 H new ATOM 26 N LYS A 3 3.633 21.508 -4.255 1.00 0.00 N ATOM 27 CA LYS A 3 2.850 21.929 -5.405 1.00 0.00 C ATOM 28 C LYS A 3 1.369 21.651 -5.137 1.00 0.00 C ATOM 29 O LYS A 3 1.033 20.763 -4.353 1.00 0.00 O ATOM 30 CB LYS A 3 3.378 21.272 -6.681 1.00 0.00 C ATOM 31 CG LYS A 3 3.618 22.315 -7.776 1.00 0.00 C ATOM 32 CD LYS A 3 4.992 22.968 -7.617 1.00 0.00 C ATOM 33 CE LYS A 3 4.982 24.404 -8.149 1.00 0.00 C ATOM 34 NZ LYS A 3 5.286 25.361 -7.062 1.00 0.00 N ATOM 0 H LYS A 3 4.439 20.924 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 3 2.950 23.003 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.308 20.745 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.664 20.527 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.547 21.842 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.841 23.078 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.279 22.968 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.741 22.383 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.716 24.507 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.007 24.632 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.275 26.330 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.571 25.274 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.226 25.153 -6.669 1.00 0.00 H new ATOM 44 N SER A 4 0.525 22.425 -5.802 1.00 0.00 N ATOM 45 CA SER A 4 -0.912 22.271 -5.646 1.00 0.00 C ATOM 46 C SER A 4 -1.412 21.120 -6.518 1.00 0.00 C ATOM 47 O SER A 4 -2.184 21.333 -7.453 1.00 0.00 O ATOM 48 CB SER A 4 -1.645 23.567 -6.004 1.00 0.00 C ATOM 49 OG SER A 4 -1.497 23.900 -7.381 1.00 0.00 O ATOM 0 H SER A 4 0.808 23.160 -6.450 1.00 0.00 H new ATOM 0 HA SER A 4 -1.121 22.043 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.704 23.462 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.261 24.382 -5.390 1.00 0.00 H new ATOM 0 HG SER A 4 -1.776 23.140 -7.933 1.00 0.00 H new ATOM 54 N ASN A 5 -0.955 19.922 -6.183 1.00 0.00 N ATOM 55 CA ASN A 5 -1.345 18.737 -6.924 1.00 0.00 C ATOM 56 C ASN A 5 -1.000 17.491 -6.106 1.00 0.00 C ATOM 57 O ASN A 5 0.161 17.093 -6.034 1.00 0.00 O ATOM 58 CB ASN A 5 -0.599 18.648 -8.257 1.00 0.00 C ATOM 59 CG ASN A 5 -0.994 19.798 -9.185 1.00 0.00 C ATOM 60 OD1 ASN A 5 -2.147 19.969 -9.547 1.00 0.00 O ATOM 61 ND2 ASN A 5 0.022 20.574 -9.550 1.00 0.00 N ATOM 0 H ASN A 5 -0.317 19.748 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.417 18.798 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.476 18.673 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.820 17.695 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.140 21.368 -10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.963 20.375 -9.211 1.00 0.00 H new ATOM 67 N THR A 6 -2.032 16.910 -5.508 1.00 0.00 N ATOM 68 CA THR A 6 -1.852 15.718 -4.697 1.00 0.00 C ATOM 69 C THR A 6 -2.657 14.554 -5.276 1.00 0.00 C ATOM 70 O THR A 6 -3.614 14.765 -6.019 1.00 0.00 O ATOM 71 CB THR A 6 -2.232 16.066 -3.256 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.502 17.465 -3.295 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.052 15.941 -2.291 1.00 0.00 C ATOM 0 H THR A 6 -2.994 17.243 -5.570 1.00 0.00 H new ATOM 0 HA THR A 6 -0.814 15.387 -4.703 1.00 0.00 H new ATOM 0 HB THR A 6 -3.040 15.412 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.758 17.774 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.377 16.199 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.681 14.916 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.256 16.618 -2.600 1.00 0.00 H new ATOM 81 N TYR A 7 -2.241 13.349 -4.911 1.00 0.00 N ATOM 82 CA TYR A 7 -2.912 12.151 -5.384 1.00 0.00 C ATOM 83 C TYR A 7 -3.350 11.269 -4.213 1.00 0.00 C ATOM 84 O TYR A 7 -3.259 11.676 -3.057 1.00 0.00 O ATOM 85 CB TYR A 7 -1.880 11.391 -6.220 1.00 0.00 C ATOM 86 CG TYR A 7 -1.539 12.066 -7.552 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.550 12.551 -8.357 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.223 12.190 -7.946 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.231 13.187 -9.610 1.00 0.00 C ATOM 90 CE2 TYR A 7 0.097 12.823 -9.199 1.00 0.00 C ATOM 91 CZ TYR A 7 -0.922 13.291 -9.969 1.00 0.00 C ATOM 92 OH TYR A 7 -0.621 13.891 -11.152 1.00 0.00 O ATOM 0 H TYR A 7 -1.448 13.178 -4.293 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.803 12.411 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.966 11.279 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.256 10.387 -6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.580 12.454 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.568 11.812 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.012 13.572 -10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.123 12.924 -9.520 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.302 14.565 -11.360 1.00 0.00 H new ATOM 101 N ARG A 8 -3.816 10.076 -4.555 1.00 0.00 N ATOM 102 CA ARG A 8 -4.268 9.133 -3.546 1.00 0.00 C ATOM 103 C ARG A 8 -3.789 7.721 -3.887 1.00 0.00 C ATOM 104 O ARG A 8 -3.586 7.395 -5.054 1.00 0.00 O ATOM 105 CB ARG A 8 -5.794 9.134 -3.437 1.00 0.00 C ATOM 106 CG ARG A 8 -6.434 8.525 -4.686 1.00 0.00 C ATOM 107 CD ARG A 8 -7.415 7.411 -4.312 1.00 0.00 C ATOM 108 NE ARG A 8 -8.212 7.019 -5.497 1.00 0.00 N ATOM 109 CZ ARG A 8 -9.391 6.384 -5.433 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.916 6.066 -4.242 1.00 0.00 N ATOM 111 NH2 ARG A 8 -10.042 6.069 -6.559 1.00 0.00 N ATOM 0 H ARG A 8 -3.890 9.741 -5.516 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.846 9.442 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.099 8.570 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.152 10.155 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.956 9.301 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.658 8.127 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.870 6.549 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.076 7.750 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.841 7.246 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.419 6.307 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.813 5.583 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.641 6.312 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.939 5.586 -6.511 1.00 0.00 H new ATOM 122 N MET A 9 -3.622 6.919 -2.844 1.00 0.00 N ATOM 123 CA MET A 9 -3.170 5.551 -3.019 1.00 0.00 C ATOM 124 C MET A 9 -4.159 4.563 -2.394 1.00 0.00 C ATOM 125 O MET A 9 -4.623 4.769 -1.273 1.00 0.00 O ATOM 126 CB MET A 9 -1.796 5.378 -2.368 1.00 0.00 C ATOM 127 CG MET A 9 -1.469 3.899 -2.160 1.00 0.00 C ATOM 128 SD MET A 9 0.299 3.671 -2.074 1.00 0.00 S ATOM 129 CE MET A 9 0.593 2.918 -3.665 1.00 0.00 C ATOM 0 H MET A 9 -3.792 7.192 -1.876 1.00 0.00 H new ATOM 0 HA MET A 9 -3.104 5.345 -4.087 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.032 5.838 -2.995 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.776 5.897 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.935 3.541 -1.242 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.881 3.308 -2.978 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.585 3.195 -4.021 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.530 1.834 -3.572 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.157 3.265 -4.376 1.00 0.00 H new ATOM 137 N LEU A 10 -4.451 3.511 -3.145 1.00 0.00 N ATOM 138 CA LEU A 10 -5.377 2.493 -2.679 1.00 0.00 C ATOM 139 C LEU A 10 -4.598 1.219 -2.341 1.00 0.00 C ATOM 140 O LEU A 10 -3.777 0.761 -3.133 1.00 0.00 O ATOM 141 CB LEU A 10 -6.495 2.277 -3.701 1.00 0.00 C ATOM 142 CG LEU A 10 -6.047 2.039 -5.145 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.920 0.981 -5.823 1.00 0.00 C ATOM 144 CD2 LEU A 10 -6.019 3.350 -5.932 1.00 0.00 C ATOM 0 H LEU A 10 -4.063 3.342 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.872 2.818 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.092 1.423 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.150 3.148 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.028 1.652 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.580 0.831 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.845 0.042 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.957 1.315 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.697 3.154 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.017 3.789 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.323 4.043 -5.460 1.00 0.00 H new ATOM 155 N VAL A 11 -4.883 0.685 -1.163 1.00 0.00 N ATOM 156 CA VAL A 11 -4.221 -0.527 -0.710 1.00 0.00 C ATOM 157 C VAL A 11 -5.195 -1.702 -0.806 1.00 0.00 C ATOM 158 O VAL A 11 -6.301 -1.642 -0.269 1.00 0.00 O ATOM 159 CB VAL A 11 -3.667 -0.324 0.701 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.177 -1.647 1.294 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.553 0.724 0.706 1.00 0.00 C ATOM 0 H VAL A 11 -5.564 1.069 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.369 -0.758 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.478 0.045 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.788 -1.474 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.006 -2.353 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.387 -2.057 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.176 0.850 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.742 0.396 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.946 1.674 0.345 1.00 0.00 H new ATOM 171 N LEU A 12 -4.752 -2.744 -1.496 1.00 0.00 N ATOM 172 CA LEU A 12 -5.571 -3.930 -1.669 1.00 0.00 C ATOM 173 C LEU A 12 -4.908 -5.111 -0.957 1.00 0.00 C ATOM 174 O LEU A 12 -3.715 -5.352 -1.129 1.00 0.00 O ATOM 175 CB LEU A 12 -5.844 -4.181 -3.154 1.00 0.00 C ATOM 176 CG LEU A 12 -4.643 -4.030 -4.089 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.682 -5.079 -5.203 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.557 -2.607 -4.646 1.00 0.00 C ATOM 0 H LEU A 12 -3.836 -2.790 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.549 -3.788 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.242 -5.190 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.624 -3.493 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.736 -4.205 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.817 -4.950 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.661 -6.077 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.596 -4.958 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.695 -2.527 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.465 -2.379 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.450 -1.900 -3.823 1.00 0.00 H new ATOM 189 N LEU A 13 -5.712 -5.815 -0.174 1.00 0.00 N ATOM 190 CA LEU A 13 -5.218 -6.967 0.563 1.00 0.00 C ATOM 191 C LEU A 13 -6.206 -8.125 0.411 1.00 0.00 C ATOM 192 O LEU A 13 -7.418 -7.922 0.458 1.00 0.00 O ATOM 193 CB LEU A 13 -4.930 -6.589 2.017 1.00 0.00 C ATOM 194 CG LEU A 13 -4.901 -7.746 3.018 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.481 -7.989 3.534 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.893 -7.510 4.159 1.00 0.00 C ATOM 0 H LEU A 13 -6.701 -5.611 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.266 -7.304 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.968 -6.078 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.685 -5.873 2.342 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.216 -8.653 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.488 -8.816 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.827 -8.234 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.115 -7.090 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.852 -8.347 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.634 -6.589 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.901 -7.425 3.753 1.00 0.00 H new ATOM 207 N GLU A 14 -5.650 -9.315 0.235 1.00 0.00 N ATOM 208 CA GLU A 14 -6.467 -10.506 0.077 1.00 0.00 C ATOM 209 C GLU A 14 -6.773 -11.125 1.442 1.00 0.00 C ATOM 210 O GLU A 14 -5.860 -11.428 2.209 1.00 0.00 O ATOM 211 CB GLU A 14 -5.786 -11.520 -0.844 1.00 0.00 C ATOM 212 CG GLU A 14 -4.301 -11.662 -0.501 1.00 0.00 C ATOM 213 CD GLU A 14 -3.822 -13.098 -0.725 1.00 0.00 C ATOM 214 OE1 GLU A 14 -4.701 -13.967 -0.909 1.00 0.00 O ATOM 215 OE2 GLU A 14 -2.588 -13.294 -0.705 1.00 0.00 O ATOM 0 H GLU A 14 -4.644 -9.480 0.198 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.409 -10.217 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.278 -12.488 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.895 -11.204 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.715 -10.979 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.135 -11.377 0.538 1.00 0.00 H new ATOM 220 N ASP A 15 -8.061 -11.294 1.704 1.00 0.00 N ATOM 221 CA ASP A 15 -8.499 -11.870 2.963 1.00 0.00 C ATOM 222 C ASP A 15 -9.178 -13.215 2.696 1.00 0.00 C ATOM 223 O ASP A 15 -10.114 -13.295 1.902 1.00 0.00 O ATOM 224 CB ASP A 15 -9.511 -10.961 3.664 1.00 0.00 C ATOM 225 CG ASP A 15 -10.444 -10.191 2.727 1.00 0.00 C ATOM 226 OD1 ASP A 15 -10.892 -10.809 1.738 1.00 0.00 O ATOM 227 OD2 ASP A 15 -10.689 -9.001 3.022 1.00 0.00 O ATOM 0 H ASP A 15 -8.815 -11.042 1.065 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.623 -11.992 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.116 -11.568 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.968 -10.245 4.281 1.00 0.00 H new ATOM 231 N ASP A 16 -8.679 -14.239 3.373 1.00 0.00 N ATOM 232 CA ASP A 16 -9.226 -15.577 3.217 1.00 0.00 C ATOM 233 C ASP A 16 -10.363 -15.778 4.222 1.00 0.00 C ATOM 234 O ASP A 16 -10.269 -15.339 5.367 1.00 0.00 O ATOM 235 CB ASP A 16 -8.163 -16.642 3.488 1.00 0.00 C ATOM 236 CG ASP A 16 -8.051 -17.089 4.947 1.00 0.00 C ATOM 237 OD1 ASP A 16 -7.356 -16.379 5.707 1.00 0.00 O ATOM 238 OD2 ASP A 16 -8.662 -18.131 5.269 1.00 0.00 O ATOM 0 H ASP A 16 -7.902 -14.170 4.031 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.584 -15.678 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.380 -17.515 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.195 -16.257 3.166 1.00 0.00 H new ATOM 242 N THR A 17 -11.410 -16.441 3.757 1.00 0.00 N ATOM 243 CA THR A 17 -12.564 -16.707 4.601 1.00 0.00 C ATOM 244 C THR A 17 -12.634 -18.193 4.957 1.00 0.00 C ATOM 245 O THR A 17 -13.319 -18.965 4.286 1.00 0.00 O ATOM 246 CB THR A 17 -13.809 -16.197 3.873 1.00 0.00 C ATOM 247 OG1 THR A 17 -14.875 -16.958 4.433 1.00 0.00 O ATOM 248 CG2 THR A 17 -13.818 -16.577 2.390 1.00 0.00 C ATOM 0 H THR A 17 -11.485 -16.803 2.806 1.00 0.00 H new ATOM 0 HA THR A 17 -12.488 -16.181 5.553 1.00 0.00 H new ATOM 0 HB THR A 17 -13.867 -15.113 3.970 1.00 0.00 H new ATOM 0 HG1 THR A 17 -15.721 -16.690 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.723 -16.191 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.944 -16.149 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.794 -17.662 2.292 1.00 0.00 H new ATOM 256 N LYS A 18 -11.918 -18.550 6.013 1.00 0.00 N ATOM 257 CA LYS A 18 -11.889 -19.930 6.466 1.00 0.00 C ATOM 258 C LYS A 18 -13.230 -20.274 7.118 1.00 0.00 C ATOM 259 O LYS A 18 -13.415 -20.060 8.315 1.00 0.00 O ATOM 260 CB LYS A 18 -10.683 -20.171 7.376 1.00 0.00 C ATOM 261 CG LYS A 18 -10.620 -19.126 8.491 1.00 0.00 C ATOM 262 CD LYS A 18 -10.527 -19.794 9.864 1.00 0.00 C ATOM 263 CE LYS A 18 -9.921 -18.841 10.898 1.00 0.00 C ATOM 264 NZ LYS A 18 -8.576 -19.306 11.305 1.00 0.00 N ATOM 0 H LYS A 18 -11.353 -17.907 6.568 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.760 -20.606 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.745 -21.169 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.766 -20.136 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.757 -18.478 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.506 -18.492 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.520 -20.105 10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.918 -20.695 9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.854 -17.836 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.571 -18.781 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.179 -18.649 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.649 -20.256 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.954 -19.341 10.472 1.00 0.00 H new ATOM 274 N ILE A 19 -14.130 -20.804 6.301 1.00 0.00 N ATOM 275 CA ILE A 19 -15.447 -21.182 6.784 1.00 0.00 C ATOM 276 C ILE A 19 -15.461 -22.680 7.099 1.00 0.00 C ATOM 277 O ILE A 19 -14.873 -23.476 6.369 1.00 0.00 O ATOM 278 CB ILE A 19 -16.527 -20.752 5.788 1.00 0.00 C ATOM 279 CG1 ILE A 19 -16.501 -19.239 5.570 1.00 0.00 C ATOM 280 CG2 ILE A 19 -17.906 -21.244 6.228 1.00 0.00 C ATOM 281 CD1 ILE A 19 -16.968 -18.496 6.822 1.00 0.00 C ATOM 0 H ILE A 19 -13.972 -20.980 5.309 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.676 -20.659 7.713 1.00 0.00 H new ATOM 0 HB ILE A 19 -16.310 -21.219 4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.491 -18.923 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.142 -18.978 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -18.655 -20.925 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -17.901 -22.332 6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -18.147 -20.826 7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.940 -17.422 6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -17.987 -18.796 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -16.310 -18.740 7.656 1.00 0.00 H new ATOM 292 N ASN A 20 -16.138 -23.018 8.187 1.00 0.00 N ATOM 293 CA ASN A 20 -16.235 -24.404 8.606 1.00 0.00 C ATOM 294 C ASN A 20 -16.988 -25.205 7.540 1.00 0.00 C ATOM 295 O ASN A 20 -17.059 -24.790 6.385 1.00 0.00 O ATOM 296 CB ASN A 20 -17.006 -24.529 9.922 1.00 0.00 C ATOM 297 CG ASN A 20 -16.620 -23.410 10.892 1.00 0.00 C ATOM 298 OD1 ASN A 20 -17.343 -22.302 10.756 1.00 0.00 O flip ATOM 299 ND2 ASN A 20 -15.723 -23.543 11.708 1.00 0.00 N flip ATOM 0 H ASN A 20 -16.624 -22.355 8.790 1.00 0.00 H new ATOM 0 HA ASN A 20 -15.223 -24.786 8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.077 -24.491 9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.800 -25.497 10.378 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.207 -24.421 11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.489 -22.776 12.339 1.00 0.00 H new ATOM 305 N LYS A 21 -17.530 -26.334 7.968 1.00 0.00 N ATOM 306 CA LYS A 21 -18.274 -27.195 7.064 1.00 0.00 C ATOM 307 C LYS A 21 -19.568 -26.492 6.646 1.00 0.00 C ATOM 308 O LYS A 21 -20.271 -26.960 5.751 1.00 0.00 O ATOM 309 CB LYS A 21 -18.500 -28.570 7.698 1.00 0.00 C ATOM 310 CG LYS A 21 -17.170 -29.291 7.928 1.00 0.00 C ATOM 311 CD LYS A 21 -17.282 -30.292 9.080 1.00 0.00 C ATOM 312 CE LYS A 21 -17.104 -29.595 10.431 1.00 0.00 C ATOM 313 NZ LYS A 21 -16.052 -30.266 11.227 1.00 0.00 N ATOM 0 H LYS A 21 -17.469 -26.673 8.928 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.701 -27.378 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.025 -28.456 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -19.138 -29.173 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.872 -29.811 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.390 -28.562 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.254 -30.784 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.527 -31.070 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.839 -28.549 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.046 -29.606 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.945 -29.780 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.320 -31.257 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.151 -30.233 10.709 1.00 0.00 H new ATOM 323 N GLU A 22 -19.842 -25.381 7.312 1.00 0.00 N ATOM 324 CA GLU A 22 -21.039 -24.610 7.023 1.00 0.00 C ATOM 325 C GLU A 22 -21.036 -24.155 5.563 1.00 0.00 C ATOM 326 O GLU A 22 -22.066 -23.738 5.035 1.00 0.00 O ATOM 327 CB GLU A 22 -21.164 -23.415 7.970 1.00 0.00 C ATOM 328 CG GLU A 22 -21.150 -23.868 9.431 1.00 0.00 C ATOM 329 CD GLU A 22 -22.562 -24.213 9.911 1.00 0.00 C ATOM 330 OE1 GLU A 22 -23.349 -23.259 10.090 1.00 0.00 O ATOM 331 OE2 GLU A 22 -22.819 -25.423 10.088 1.00 0.00 O ATOM 0 H GLU A 22 -19.255 -24.996 8.052 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.907 -25.249 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -20.343 -22.720 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -22.089 -22.877 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -20.502 -24.738 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.732 -23.079 10.056 1.00 0.00 H new ATOM 336 N ASP A 23 -19.865 -24.250 4.949 1.00 0.00 N ATOM 337 CA ASP A 23 -19.714 -23.854 3.558 1.00 0.00 C ATOM 338 C ASP A 23 -18.705 -24.779 2.876 1.00 0.00 C ATOM 339 O ASP A 23 -19.079 -25.607 2.048 1.00 0.00 O ATOM 340 CB ASP A 23 -19.192 -22.420 3.448 1.00 0.00 C ATOM 341 CG ASP A 23 -18.894 -21.949 2.024 1.00 0.00 C ATOM 342 OD1 ASP A 23 -19.795 -22.107 1.171 1.00 0.00 O ATOM 343 OD2 ASP A 23 -17.770 -21.440 1.817 1.00 0.00 O ATOM 0 H ASP A 23 -19.012 -24.595 5.389 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.691 -23.919 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.926 -21.747 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.282 -22.334 4.041 1.00 0.00 H new ATOM 347 N GLU A 24 -17.445 -24.605 3.249 1.00 0.00 N ATOM 348 CA GLU A 24 -16.380 -25.415 2.685 1.00 0.00 C ATOM 349 C GLU A 24 -15.139 -25.360 3.578 1.00 0.00 C ATOM 350 O GLU A 24 -14.378 -24.394 3.530 1.00 0.00 O ATOM 351 CB GLU A 24 -16.048 -24.969 1.258 1.00 0.00 C ATOM 352 CG GLU A 24 -16.639 -25.935 0.230 1.00 0.00 C ATOM 353 CD GLU A 24 -15.989 -27.317 0.339 1.00 0.00 C ATOM 354 OE1 GLU A 24 -16.408 -28.070 1.245 1.00 0.00 O ATOM 355 OE2 GLU A 24 -15.091 -27.587 -0.484 1.00 0.00 O ATOM 0 H GLU A 24 -17.139 -23.915 3.935 1.00 0.00 H new ATOM 0 HA GLU A 24 -16.724 -26.448 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.439 -23.966 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.967 -24.915 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.715 -26.022 0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.492 -25.538 -0.774 1.00 0.00 H new ATOM 360 N LYS A 25 -14.975 -26.406 4.374 1.00 0.00 N ATOM 361 CA LYS A 25 -13.840 -26.488 5.278 1.00 0.00 C ATOM 362 C LYS A 25 -12.764 -27.383 4.658 1.00 0.00 C ATOM 363 O LYS A 25 -11.684 -27.543 5.224 1.00 0.00 O ATOM 364 CB LYS A 25 -14.292 -26.942 6.667 1.00 0.00 C ATOM 365 CG LYS A 25 -13.096 -27.358 7.525 1.00 0.00 C ATOM 366 CD LYS A 25 -13.404 -27.191 9.014 1.00 0.00 C ATOM 367 CE LYS A 25 -12.121 -26.973 9.818 1.00 0.00 C ATOM 368 NZ LYS A 25 -12.106 -25.619 10.413 1.00 0.00 N ATOM 0 H LYS A 25 -15.609 -27.204 4.412 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.394 -25.503 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.833 -26.134 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.985 -27.778 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.839 -28.397 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.227 -26.756 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.076 -26.344 9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.923 -28.076 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.046 -27.723 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.253 -27.102 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.228 -25.488 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.155 -24.907 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.924 -25.509 11.046 1.00 0.00 H new ATOM 378 N PHE A 26 -13.099 -27.945 3.506 1.00 0.00 N ATOM 379 CA PHE A 26 -12.175 -28.818 2.804 1.00 0.00 C ATOM 380 C PHE A 26 -11.330 -28.031 1.801 1.00 0.00 C ATOM 381 O PHE A 26 -10.177 -28.381 1.545 1.00 0.00 O ATOM 382 CB PHE A 26 -13.020 -29.844 2.046 1.00 0.00 C ATOM 383 CG PHE A 26 -13.226 -31.159 2.799 1.00 0.00 C ATOM 384 CD1 PHE A 26 -14.100 -31.217 3.839 1.00 0.00 C ATOM 385 CD2 PHE A 26 -12.535 -32.272 2.429 1.00 0.00 C ATOM 386 CE1 PHE A 26 -14.292 -32.439 4.538 1.00 0.00 C ATOM 387 CE2 PHE A 26 -12.726 -33.492 3.128 1.00 0.00 C ATOM 388 CZ PHE A 26 -13.602 -33.550 4.168 1.00 0.00 C ATOM 0 H PHE A 26 -13.997 -27.813 3.042 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.498 -29.292 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.994 -29.406 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -12.543 -30.056 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.648 -30.334 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.841 -32.226 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.987 -32.485 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.176 -34.374 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.749 -34.479 4.699 1.00 0.00 H new ATOM 397 N LEU A 27 -11.932 -26.982 1.262 1.00 0.00 N ATOM 398 CA LEU A 27 -11.249 -26.142 0.292 1.00 0.00 C ATOM 399 C LEU A 27 -10.428 -25.085 1.031 1.00 0.00 C ATOM 400 O LEU A 27 -10.805 -24.646 2.116 1.00 0.00 O ATOM 401 CB LEU A 27 -12.247 -25.558 -0.710 1.00 0.00 C ATOM 402 CG LEU A 27 -12.585 -24.076 -0.533 1.00 0.00 C ATOM 403 CD1 LEU A 27 -12.883 -23.752 0.932 1.00 0.00 C ATOM 404 CD2 LEU A 27 -11.474 -23.191 -1.101 1.00 0.00 C ATOM 0 H LEU A 27 -12.886 -26.694 1.478 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.550 -26.733 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.850 -25.702 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.172 -26.131 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.491 -23.862 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.120 -22.693 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.732 -24.346 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.010 -23.986 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.738 -22.142 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.539 -23.401 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.352 -23.398 -2.164 1.00 0.00 H new ATOM 415 N LYS A 28 -9.318 -24.704 0.412 1.00 0.00 N ATOM 416 CA LYS A 28 -8.441 -23.704 0.996 1.00 0.00 C ATOM 417 C LYS A 28 -9.174 -22.363 1.057 1.00 0.00 C ATOM 418 O LYS A 28 -8.890 -21.460 0.270 1.00 0.00 O ATOM 419 CB LYS A 28 -7.114 -23.647 0.238 1.00 0.00 C ATOM 420 CG LYS A 28 -6.019 -24.406 0.989 1.00 0.00 C ATOM 421 CD LYS A 28 -5.030 -23.438 1.644 1.00 0.00 C ATOM 422 CE LYS A 28 -5.529 -22.988 3.018 1.00 0.00 C ATOM 423 NZ LYS A 28 -4.393 -22.588 3.877 1.00 0.00 N ATOM 0 H LYS A 28 -9.007 -25.071 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.184 -23.973 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.241 -24.075 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.813 -22.608 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.470 -25.042 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.488 -25.062 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.058 -23.920 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.888 -22.568 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.219 -22.152 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.084 -23.797 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.750 -22.285 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.749 -23.396 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.880 -21.801 3.430 1.00 0.00 H new ATOM 433 N GLY A 29 -10.101 -22.272 1.998 1.00 0.00 N ATOM 434 CA GLY A 29 -10.876 -21.056 2.173 1.00 0.00 C ATOM 435 C GLY A 29 -10.551 -20.038 1.078 1.00 0.00 C ATOM 436 O GLY A 29 -9.561 -19.312 1.173 1.00 0.00 O ATOM 0 H GLY A 29 -10.333 -23.022 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.940 -21.292 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.665 -20.624 3.151 1.00 0.00 H new ATOM 440 N LYS A 30 -11.403 -20.016 0.062 1.00 0.00 N ATOM 441 CA LYS A 30 -11.217 -19.101 -1.051 1.00 0.00 C ATOM 442 C LYS A 30 -12.233 -17.961 -0.943 1.00 0.00 C ATOM 443 O LYS A 30 -13.440 -18.199 -0.944 1.00 0.00 O ATOM 444 CB LYS A 30 -11.277 -19.855 -2.380 1.00 0.00 C ATOM 445 CG LYS A 30 -9.879 -20.033 -2.973 1.00 0.00 C ATOM 446 CD LYS A 30 -9.687 -21.453 -3.508 1.00 0.00 C ATOM 447 CE LYS A 30 -9.150 -21.430 -4.942 1.00 0.00 C ATOM 448 NZ LYS A 30 -8.008 -22.362 -5.081 1.00 0.00 N ATOM 0 H LYS A 30 -12.223 -20.617 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.226 -18.650 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.738 -20.831 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.907 -19.310 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.727 -19.314 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.128 -19.823 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.995 -21.997 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.636 -21.988 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.941 -21.708 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.837 -20.419 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.655 -22.335 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.248 -22.079 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.318 -23.328 -4.851 1.00 0.00 H new ATOM 458 N PRO A 31 -11.693 -16.717 -0.850 1.00 0.00 N ATOM 459 CA PRO A 31 -12.539 -15.540 -0.741 1.00 0.00 C ATOM 460 C PRO A 31 -13.180 -15.199 -2.088 1.00 0.00 C ATOM 461 O PRO A 31 -12.553 -15.353 -3.134 1.00 0.00 O ATOM 462 CB PRO A 31 -11.622 -14.443 -0.225 1.00 0.00 C ATOM 463 CG PRO A 31 -10.205 -14.917 -0.505 1.00 0.00 C ATOM 464 CD PRO A 31 -10.268 -16.397 -0.846 1.00 0.00 C ATOM 0 HA PRO A 31 -13.381 -15.688 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.824 -13.497 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.774 -14.276 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.770 -14.353 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.568 -14.752 0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.814 -16.599 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.730 -16.996 -0.111 1.00 0.00 H new ATOM 469 N GLY A 32 -14.422 -14.743 -2.017 1.00 0.00 N ATOM 470 CA GLY A 32 -15.155 -14.380 -3.217 1.00 0.00 C ATOM 471 C GLY A 32 -14.285 -13.546 -4.160 1.00 0.00 C ATOM 472 O GLY A 32 -13.931 -13.998 -5.247 1.00 0.00 O ATOM 0 H GLY A 32 -14.939 -14.617 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.491 -15.282 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -16.047 -13.816 -2.946 1.00 0.00 H new ATOM 476 N LYS A 33 -13.969 -12.340 -3.710 1.00 0.00 N ATOM 477 CA LYS A 33 -13.148 -11.439 -4.499 1.00 0.00 C ATOM 478 C LYS A 33 -11.852 -11.142 -3.744 1.00 0.00 C ATOM 479 O LYS A 33 -11.871 -10.925 -2.532 1.00 0.00 O ATOM 480 CB LYS A 33 -13.940 -10.184 -4.877 1.00 0.00 C ATOM 481 CG LYS A 33 -14.008 -10.015 -6.396 1.00 0.00 C ATOM 482 CD LYS A 33 -15.134 -9.057 -6.792 1.00 0.00 C ATOM 483 CE LYS A 33 -16.501 -9.724 -6.630 1.00 0.00 C ATOM 484 NZ LYS A 33 -17.418 -8.847 -5.868 1.00 0.00 N ATOM 0 H LYS A 33 -14.267 -11.967 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.868 -11.908 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.949 -10.250 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.472 -9.306 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.056 -9.635 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.169 -10.985 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.087 -8.160 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.000 -8.740 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.926 -9.940 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.388 -10.678 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.341 -9.315 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.019 -8.662 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.539 -7.947 -6.375 1.00 0.00 H new ATOM 494 N MET A 34 -10.756 -11.140 -4.489 1.00 0.00 N ATOM 495 CA MET A 34 -9.454 -10.873 -3.905 1.00 0.00 C ATOM 496 C MET A 34 -8.789 -9.667 -4.572 1.00 0.00 C ATOM 497 O MET A 34 -9.182 -9.265 -5.667 1.00 0.00 O ATOM 498 CB MET A 34 -8.558 -12.104 -4.066 1.00 0.00 C ATOM 499 CG MET A 34 -8.353 -12.440 -5.545 1.00 0.00 C ATOM 500 SD MET A 34 -9.510 -13.702 -6.052 1.00 0.00 S ATOM 501 CE MET A 34 -8.391 -14.858 -6.823 1.00 0.00 C ATOM 0 H MET A 34 -10.744 -11.319 -5.493 1.00 0.00 H new ATOM 0 HA MET A 34 -9.592 -10.649 -2.847 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.593 -11.921 -3.593 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.007 -12.955 -3.554 1.00 0.00 H new ATOM 0 HG2 MET A 34 -8.490 -11.545 -6.152 1.00 0.00 H new ATOM 0 HG3 MET A 34 -7.332 -12.784 -5.710 1.00 0.00 H new ATOM 0 HE1 MET A 34 -8.953 -15.713 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.877 -14.370 -7.651 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.658 -15.198 -6.091 1.00 0.00 H new ATOM 509 N HIS A 35 -7.794 -9.125 -3.887 1.00 0.00 N ATOM 510 CA HIS A 35 -7.071 -7.974 -4.400 1.00 0.00 C ATOM 511 C HIS A 35 -8.050 -6.822 -4.645 1.00 0.00 C ATOM 512 O HIS A 35 -8.234 -6.392 -5.783 1.00 0.00 O ATOM 513 CB HIS A 35 -6.270 -8.347 -5.648 1.00 0.00 C ATOM 514 CG HIS A 35 -4.973 -9.064 -5.353 1.00 0.00 C ATOM 515 ND1 HIS A 35 -4.558 -10.181 -6.056 1.00 0.00 N ATOM 516 CD2 HIS A 35 -4.006 -8.811 -4.426 1.00 0.00 C ATOM 517 CE1 HIS A 35 -3.392 -10.575 -5.566 1.00 0.00 C ATOM 518 NE2 HIS A 35 -3.052 -9.725 -4.555 1.00 0.00 N ATOM 0 H HIS A 35 -7.471 -9.462 -2.980 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.344 -7.637 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.886 -8.980 -6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.052 -7.440 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.015 -8.004 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.813 -11.420 -5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.204 -9.782 -3.991 1.00 0.00 H new ATOM 525 N GLU A 36 -8.651 -6.357 -3.560 1.00 0.00 N ATOM 526 CA GLU A 36 -9.603 -5.263 -3.643 1.00 0.00 C ATOM 527 C GLU A 36 -9.163 -4.106 -2.744 1.00 0.00 C ATOM 528 O GLU A 36 -8.567 -4.326 -1.690 1.00 0.00 O ATOM 529 CB GLU A 36 -11.012 -5.735 -3.281 1.00 0.00 C ATOM 530 CG GLU A 36 -12.040 -5.224 -4.293 1.00 0.00 C ATOM 531 CD GLU A 36 -13.262 -6.142 -4.344 1.00 0.00 C ATOM 532 OE1 GLU A 36 -13.701 -6.564 -3.252 1.00 0.00 O ATOM 533 OE2 GLU A 36 -13.731 -6.401 -5.473 1.00 0.00 O ATOM 0 H GLU A 36 -8.497 -6.718 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.628 -4.906 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.037 -6.824 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.272 -5.382 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.350 -4.214 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.584 -5.164 -5.281 1.00 0.00 H new ATOM 538 N PHE A 37 -9.476 -2.899 -3.191 1.00 0.00 N ATOM 539 CA PHE A 37 -9.121 -1.706 -2.439 1.00 0.00 C ATOM 540 C PHE A 37 -9.801 -1.701 -1.068 1.00 0.00 C ATOM 541 O PHE A 37 -11.000 -1.956 -0.966 1.00 0.00 O ATOM 542 CB PHE A 37 -9.616 -0.505 -3.246 1.00 0.00 C ATOM 543 CG PHE A 37 -11.096 -0.182 -3.037 1.00 0.00 C ATOM 544 CD1 PHE A 37 -11.489 0.530 -1.947 1.00 0.00 C ATOM 545 CD2 PHE A 37 -12.019 -0.605 -3.940 1.00 0.00 C ATOM 546 CE1 PHE A 37 -12.863 0.830 -1.751 1.00 0.00 C ATOM 547 CE2 PHE A 37 -13.394 -0.304 -3.747 1.00 0.00 C ATOM 548 CZ PHE A 37 -13.786 0.407 -2.655 1.00 0.00 C ATOM 0 H PHE A 37 -9.972 -2.721 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.043 -1.672 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.023 0.369 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.442 -0.696 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.755 0.868 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.707 -1.171 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.175 1.394 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.127 -0.639 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 37 -14.831 0.635 -2.506 1.00 0.00 H new ATOM 557 N VAL A 38 -9.007 -1.406 -0.051 1.00 0.00 N ATOM 558 CA VAL A 38 -9.516 -1.363 1.309 1.00 0.00 C ATOM 559 C VAL A 38 -9.814 0.087 1.692 1.00 0.00 C ATOM 560 O VAL A 38 -10.814 0.366 2.352 1.00 0.00 O ATOM 561 CB VAL A 38 -8.530 -2.043 2.260 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.426 -1.073 2.687 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.252 -2.623 3.477 1.00 0.00 C ATOM 0 H VAL A 38 -8.013 -1.194 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.452 -1.917 1.384 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.063 -2.869 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.738 -1.580 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.883 -0.729 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.870 -0.218 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.527 -3.101 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.760 -1.822 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.984 -3.360 3.148 1.00 0.00 H new ATOM 573 N ASP A 39 -8.928 0.973 1.262 1.00 0.00 N ATOM 574 CA ASP A 39 -9.082 2.388 1.552 1.00 0.00 C ATOM 575 C ASP A 39 -8.090 3.189 0.708 1.00 0.00 C ATOM 576 O ASP A 39 -7.120 2.635 0.190 1.00 0.00 O ATOM 577 CB ASP A 39 -8.797 2.684 3.025 1.00 0.00 C ATOM 578 CG ASP A 39 -9.964 3.302 3.798 1.00 0.00 C ATOM 579 OD1 ASP A 39 -10.919 3.746 3.125 1.00 0.00 O ATOM 580 OD2 ASP A 39 -9.874 3.317 5.046 1.00 0.00 O ATOM 0 H ASP A 39 -8.100 0.738 0.714 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.110 2.668 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.506 1.756 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.943 3.358 3.086 1.00 0.00 H new ATOM 584 N GLU A 40 -8.363 4.481 0.596 1.00 0.00 N ATOM 585 CA GLU A 40 -7.504 5.363 -0.176 1.00 0.00 C ATOM 586 C GLU A 40 -6.946 6.474 0.715 1.00 0.00 C ATOM 587 O GLU A 40 -7.665 7.031 1.543 1.00 0.00 O ATOM 588 CB GLU A 40 -8.255 5.947 -1.375 1.00 0.00 C ATOM 589 CG GLU A 40 -9.594 6.550 -0.942 1.00 0.00 C ATOM 590 CD GLU A 40 -10.711 5.507 -1.009 1.00 0.00 C ATOM 591 OE1 GLU A 40 -10.838 4.880 -2.083 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.414 5.361 0.015 1.00 0.00 O ATOM 0 H GLU A 40 -9.167 4.938 1.027 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.668 4.779 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.645 6.713 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.426 5.167 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.512 6.936 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.841 7.395 -1.585 1.00 0.00 H new ATOM 597 N LEU A 41 -5.668 6.762 0.516 1.00 0.00 N ATOM 598 CA LEU A 41 -5.004 7.795 1.292 1.00 0.00 C ATOM 599 C LEU A 41 -4.279 8.753 0.345 1.00 0.00 C ATOM 600 O LEU A 41 -3.774 8.338 -0.697 1.00 0.00 O ATOM 601 CB LEU A 41 -4.092 7.169 2.348 1.00 0.00 C ATOM 602 CG LEU A 41 -4.741 6.126 3.261 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.713 4.739 2.617 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.089 6.128 4.647 1.00 0.00 C ATOM 0 H LEU A 41 -5.075 6.298 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.736 8.385 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.247 6.703 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.689 7.967 2.971 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.788 6.396 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.180 4.017 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.259 4.765 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.680 4.445 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.569 5.378 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.028 5.896 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.205 7.111 5.102 1.00 0.00 H new ATOM 615 N ILE A 42 -4.252 10.017 0.740 1.00 0.00 N ATOM 616 CA ILE A 42 -3.600 11.038 -0.061 1.00 0.00 C ATOM 617 C ILE A 42 -2.122 11.121 0.331 1.00 0.00 C ATOM 618 O ILE A 42 -1.797 11.407 1.481 1.00 0.00 O ATOM 619 CB ILE A 42 -4.342 12.370 0.058 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.845 12.182 -0.159 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.752 13.415 -0.891 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.151 11.868 -1.625 1.00 0.00 C ATOM 0 H ILE A 42 -4.672 10.357 1.605 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.637 10.773 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.207 12.745 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.209 11.373 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.376 13.085 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.299 14.352 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.702 13.578 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.834 13.061 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.226 11.739 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.807 12.690 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.638 10.951 -1.915 1.00 0.00 H new ATOM 633 N LEU A 43 -1.268 10.862 -0.650 1.00 0.00 N ATOM 634 CA LEU A 43 0.166 10.905 -0.422 1.00 0.00 C ATOM 635 C LEU A 43 0.725 12.223 -0.966 1.00 0.00 C ATOM 636 O LEU A 43 0.183 12.786 -1.916 1.00 0.00 O ATOM 637 CB LEU A 43 0.838 9.663 -1.009 1.00 0.00 C ATOM 638 CG LEU A 43 -0.101 8.564 -1.508 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.528 8.823 -2.953 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.532 7.182 -1.337 1.00 0.00 C ATOM 0 H LEU A 43 -1.542 10.622 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 43 0.384 10.883 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.472 9.975 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.493 9.236 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.003 8.583 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.195 8.027 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.047 9.780 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.353 8.847 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.157 6.419 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.460 7.134 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.745 7.007 -0.282 1.00 0.00 H new ATOM 651 N PRO A 44 1.831 12.686 -0.324 1.00 0.00 N ATOM 652 CA PRO A 44 2.469 13.926 -0.732 1.00 0.00 C ATOM 653 C PRO A 44 3.259 13.735 -2.029 1.00 0.00 C ATOM 654 O PRO A 44 4.379 14.228 -2.156 1.00 0.00 O ATOM 655 CB PRO A 44 3.345 14.323 0.444 1.00 0.00 C ATOM 656 CG PRO A 44 3.525 13.063 1.274 1.00 0.00 C ATOM 657 CD PRO A 44 2.501 12.044 0.803 1.00 0.00 C ATOM 0 HA PRO A 44 1.751 14.714 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.307 14.706 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.877 15.113 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.535 12.671 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.387 13.281 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.979 11.112 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.794 11.797 1.595 1.00 0.00 H new ATOM 662 N PHE A 45 2.644 13.017 -2.959 1.00 0.00 N ATOM 663 CA PHE A 45 3.277 12.754 -4.240 1.00 0.00 C ATOM 664 C PHE A 45 2.875 13.806 -5.275 1.00 0.00 C ATOM 665 O PHE A 45 1.689 14.072 -5.469 1.00 0.00 O ATOM 666 CB PHE A 45 2.787 11.382 -4.706 1.00 0.00 C ATOM 667 CG PHE A 45 3.114 11.069 -6.169 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.224 11.600 -6.746 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.290 10.261 -6.890 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.526 11.310 -8.104 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.592 9.971 -8.248 1.00 0.00 C ATOM 672 CZ PHE A 45 3.703 10.502 -8.826 1.00 0.00 C ATOM 0 H PHE A 45 1.715 12.610 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 45 4.361 12.784 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.231 10.614 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.708 11.326 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.876 12.242 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.408 9.841 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.408 11.731 -8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.939 9.329 -8.821 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.932 10.282 -9.858 1.00 0.00 H new ATOM 681 N ASN A 46 3.886 14.376 -5.916 1.00 0.00 N ATOM 682 CA ASN A 46 3.652 15.391 -6.929 1.00 0.00 C ATOM 683 C ASN A 46 4.149 14.879 -8.282 1.00 0.00 C ATOM 684 O ASN A 46 4.931 13.932 -8.343 1.00 0.00 O ATOM 685 CB ASN A 46 4.413 16.678 -6.604 1.00 0.00 C ATOM 686 CG ASN A 46 3.464 17.759 -6.084 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.503 18.094 -6.942 1.00 0.00 O flip ATOM 688 ND2 ASN A 46 3.593 18.259 -4.978 1.00 0.00 N flip ATOM 0 H ASN A 46 4.868 14.154 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 46 2.583 15.600 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.180 16.473 -5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.925 17.037 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.352 17.957 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.942 18.978 -4.664 1.00 0.00 H new ATOM 694 N VAL A 47 3.672 15.527 -9.335 1.00 0.00 N ATOM 695 CA VAL A 47 4.059 15.150 -10.684 1.00 0.00 C ATOM 696 C VAL A 47 5.479 15.647 -10.962 1.00 0.00 C ATOM 697 O VAL A 47 6.169 15.112 -11.829 1.00 0.00 O ATOM 698 CB VAL A 47 3.033 15.678 -11.690 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.468 15.378 -13.125 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.643 15.108 -11.406 1.00 0.00 C ATOM 0 H VAL A 47 3.021 16.311 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 47 4.069 14.065 -10.788 1.00 0.00 H new ATOM 0 HB VAL A 47 2.979 16.761 -11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.722 15.764 -13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.428 15.856 -13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.565 14.301 -13.258 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.933 15.499 -12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.674 14.021 -11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.329 15.397 -10.403 1.00 0.00 H new ATOM 710 N ASP A 48 5.874 16.661 -10.208 1.00 0.00 N ATOM 711 CA ASP A 48 7.200 17.236 -10.361 1.00 0.00 C ATOM 712 C ASP A 48 8.058 16.856 -9.154 1.00 0.00 C ATOM 713 O ASP A 48 8.813 17.681 -8.640 1.00 0.00 O ATOM 714 CB ASP A 48 7.135 18.762 -10.434 1.00 0.00 C ATOM 715 CG ASP A 48 6.954 19.467 -9.088 1.00 0.00 C ATOM 716 OD1 ASP A 48 6.230 18.897 -8.242 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.543 20.559 -8.935 1.00 0.00 O ATOM 0 H ASP A 48 5.299 17.100 -9.489 1.00 0.00 H new ATOM 0 HA ASP A 48 7.630 16.850 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.051 19.128 -10.898 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.311 19.045 -11.089 1.00 0.00 H new ATOM 721 N GLU A 49 7.913 15.609 -8.734 1.00 0.00 N ATOM 722 CA GLU A 49 8.666 15.109 -7.596 1.00 0.00 C ATOM 723 C GLU A 49 8.887 13.599 -7.726 1.00 0.00 C ATOM 724 O GLU A 49 8.879 12.880 -6.728 1.00 0.00 O ATOM 725 CB GLU A 49 7.964 15.450 -6.281 1.00 0.00 C ATOM 726 CG GLU A 49 8.707 16.560 -5.534 1.00 0.00 C ATOM 727 CD GLU A 49 7.724 17.567 -4.933 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.092 17.208 -3.918 1.00 0.00 O ATOM 729 OE2 GLU A 49 7.629 18.676 -5.504 1.00 0.00 O ATOM 0 H GLU A 49 7.285 14.929 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 49 9.640 15.599 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.940 15.765 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.907 14.560 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.318 16.125 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.386 17.071 -6.216 1.00 0.00 H new ATOM 734 N LEU A 50 9.075 13.166 -8.964 1.00 0.00 N ATOM 735 CA LEU A 50 9.297 11.756 -9.236 1.00 0.00 C ATOM 736 C LEU A 50 10.661 11.342 -8.679 1.00 0.00 C ATOM 737 O LEU A 50 10.792 10.276 -8.079 1.00 0.00 O ATOM 738 CB LEU A 50 9.128 11.466 -10.729 1.00 0.00 C ATOM 739 CG LEU A 50 7.690 11.454 -11.251 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.907 10.272 -10.677 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.996 12.790 -10.976 1.00 0.00 C ATOM 0 H LEU A 50 9.078 13.766 -9.789 1.00 0.00 H new ATOM 0 HA LEU A 50 8.548 11.147 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.691 12.212 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.580 10.498 -10.944 1.00 0.00 H new ATOM 0 HG LEU A 50 7.721 11.324 -12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.888 10.288 -11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.391 9.340 -10.967 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.883 10.345 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.975 12.755 -11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.976 12.976 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.541 13.592 -11.473 1.00 0.00 H new ATOM 752 N ASP A 51 11.641 12.206 -8.898 1.00 0.00 N ATOM 753 CA ASP A 51 12.989 11.943 -8.424 1.00 0.00 C ATOM 754 C ASP A 51 12.987 11.889 -6.896 1.00 0.00 C ATOM 755 O ASP A 51 13.525 10.956 -6.302 1.00 0.00 O ATOM 756 CB ASP A 51 13.950 13.053 -8.855 1.00 0.00 C ATOM 757 CG ASP A 51 14.189 13.152 -10.363 1.00 0.00 C ATOM 758 OD1 ASP A 51 13.191 13.378 -11.082 1.00 0.00 O ATOM 759 OD2 ASP A 51 15.363 13.000 -10.764 1.00 0.00 O ATOM 0 H ASP A 51 11.529 13.088 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 51 13.317 10.995 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.561 14.008 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.908 12.896 -8.360 1.00 0.00 H new ATOM 763 N GLU A 52 12.374 12.902 -6.300 1.00 0.00 N ATOM 764 CA GLU A 52 12.296 12.982 -4.851 1.00 0.00 C ATOM 765 C GLU A 52 11.365 11.894 -4.310 1.00 0.00 C ATOM 766 O GLU A 52 11.595 11.359 -3.225 1.00 0.00 O ATOM 767 CB GLU A 52 11.836 14.370 -4.403 1.00 0.00 C ATOM 768 CG GLU A 52 12.576 14.811 -3.138 1.00 0.00 C ATOM 769 CD GLU A 52 11.798 15.902 -2.400 1.00 0.00 C ATOM 770 OE1 GLU A 52 11.686 17.006 -2.974 1.00 0.00 O ATOM 771 OE2 GLU A 52 11.334 15.608 -1.278 1.00 0.00 O ATOM 0 H GLU A 52 11.927 13.674 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 52 13.293 12.817 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.012 15.091 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.762 14.358 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.721 13.954 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.567 15.181 -3.402 1.00 0.00 H new ATOM 776 N LEU A 53 10.334 11.600 -5.087 1.00 0.00 N ATOM 777 CA LEU A 53 9.368 10.587 -4.700 1.00 0.00 C ATOM 778 C LEU A 53 10.016 9.204 -4.798 1.00 0.00 C ATOM 779 O LEU A 53 9.776 8.341 -3.956 1.00 0.00 O ATOM 780 CB LEU A 53 8.086 10.725 -5.523 1.00 0.00 C ATOM 781 CG LEU A 53 7.038 9.629 -5.321 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.884 10.128 -4.449 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.547 9.086 -6.665 1.00 0.00 C ATOM 0 H LEU A 53 10.146 12.047 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 53 9.068 10.726 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.628 11.686 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.357 10.751 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 53 7.508 8.801 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.153 9.330 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.268 10.428 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.408 10.982 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.803 8.308 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.100 9.895 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.388 8.668 -7.218 1.00 0.00 H new ATOM 794 N ASN A 54 10.826 9.039 -5.833 1.00 0.00 N ATOM 795 CA ASN A 54 11.512 7.777 -6.052 1.00 0.00 C ATOM 796 C ASN A 54 12.583 7.589 -4.978 1.00 0.00 C ATOM 797 O ASN A 54 12.797 6.479 -4.495 1.00 0.00 O ATOM 798 CB ASN A 54 12.203 7.755 -7.418 1.00 0.00 C ATOM 799 CG ASN A 54 11.361 6.995 -8.445 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.525 5.807 -8.664 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.454 7.746 -9.063 1.00 0.00 N ATOM 0 H ASN A 54 11.023 9.758 -6.529 1.00 0.00 H new ATOM 0 HA ASN A 54 10.770 6.979 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.369 8.776 -7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.183 7.286 -7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.844 7.332 -9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.369 8.736 -8.832 1.00 0.00 H new ATOM 807 N THR A 55 13.231 8.693 -4.633 1.00 0.00 N ATOM 808 CA THR A 55 14.276 8.665 -3.624 1.00 0.00 C ATOM 809 C THR A 55 13.682 8.347 -2.250 1.00 0.00 C ATOM 810 O THR A 55 14.214 7.514 -1.518 1.00 0.00 O ATOM 811 CB THR A 55 15.015 10.004 -3.671 1.00 0.00 C ATOM 812 OG1 THR A 55 16.383 9.653 -3.485 1.00 0.00 O ATOM 813 CG2 THR A 55 14.692 10.894 -2.470 1.00 0.00 C ATOM 0 H THR A 55 13.052 9.613 -5.035 1.00 0.00 H new ATOM 0 HA THR A 55 14.997 7.872 -3.823 1.00 0.00 H new ATOM 0 HB THR A 55 14.756 10.528 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.934 10.463 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.242 11.831 -2.553 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.622 11.102 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.981 10.384 -1.551 1.00 0.00 H new ATOM 821 N TRP A 56 12.589 9.029 -1.942 1.00 0.00 N ATOM 822 CA TRP A 56 11.916 8.829 -0.669 1.00 0.00 C ATOM 823 C TRP A 56 11.269 7.444 -0.688 1.00 0.00 C ATOM 824 O TRP A 56 11.431 6.666 0.251 1.00 0.00 O ATOM 825 CB TRP A 56 10.915 9.953 -0.395 1.00 0.00 C ATOM 826 CG TRP A 56 9.468 9.477 -0.261 1.00 0.00 C ATOM 827 CD1 TRP A 56 9.010 8.403 0.397 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.300 10.107 -0.829 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.637 8.295 0.296 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.193 9.365 -0.473 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.183 11.266 -1.615 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.890 9.699 -0.860 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.874 11.587 -1.994 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.748 10.849 -1.645 1.00 0.00 C ATOM 0 H TRP A 56 12.152 9.721 -2.551 1.00 0.00 H new ATOM 0 HA TRP A 56 12.630 8.868 0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.204 10.468 0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.973 10.683 -1.203 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.636 7.709 0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.056 7.565 0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 56 9.036 11.862 -1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.039 9.101 -0.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.728 12.469 -2.600 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.769 11.162 -1.978 1.00 0.00 H new ATOM 844 N PHE A 57 10.550 7.176 -1.769 1.00 0.00 N ATOM 845 CA PHE A 57 9.878 5.898 -1.922 1.00 0.00 C ATOM 846 C PHE A 57 10.879 4.742 -1.867 1.00 0.00 C ATOM 847 O PHE A 57 10.577 3.680 -1.325 1.00 0.00 O ATOM 848 CB PHE A 57 9.203 5.909 -3.294 1.00 0.00 C ATOM 849 CG PHE A 57 8.535 4.585 -3.671 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.260 4.329 -3.272 1.00 0.00 C ATOM 851 CD2 PHE A 57 9.215 3.664 -4.405 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.639 3.101 -3.620 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.595 2.436 -4.754 1.00 0.00 C ATOM 854 CZ PHE A 57 7.320 2.180 -4.353 1.00 0.00 C ATOM 0 H PHE A 57 10.419 7.823 -2.547 1.00 0.00 H new ATOM 0 HA PHE A 57 9.158 5.757 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.453 6.700 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.947 6.157 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.720 5.061 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.227 3.867 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.627 2.898 -3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.135 1.705 -5.338 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.849 1.245 -4.617 1.00 0.00 H new ATOM 863 N ASP A 58 12.049 4.987 -2.439 1.00 0.00 N ATOM 864 CA ASP A 58 13.096 3.979 -2.462 1.00 0.00 C ATOM 865 C ASP A 58 13.551 3.688 -1.031 1.00 0.00 C ATOM 866 O ASP A 58 13.743 2.532 -0.660 1.00 0.00 O ATOM 867 CB ASP A 58 14.311 4.466 -3.254 1.00 0.00 C ATOM 868 CG ASP A 58 15.496 3.499 -3.281 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.230 2.277 -3.295 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.641 4.003 -3.285 1.00 0.00 O ATOM 0 H ASP A 58 12.295 5.868 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 58 12.691 3.084 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.001 4.665 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.645 5.414 -2.832 1.00 0.00 H new ATOM 874 N LYS A 59 13.708 4.757 -0.265 1.00 0.00 N ATOM 875 CA LYS A 59 14.138 4.630 1.118 1.00 0.00 C ATOM 876 C LYS A 59 13.009 4.008 1.942 1.00 0.00 C ATOM 877 O LYS A 59 13.235 3.066 2.699 1.00 0.00 O ATOM 878 CB LYS A 59 14.619 5.979 1.654 1.00 0.00 C ATOM 879 CG LYS A 59 15.139 5.846 3.087 1.00 0.00 C ATOM 880 CD LYS A 59 13.982 5.824 4.090 1.00 0.00 C ATOM 881 CE LYS A 59 14.446 6.286 5.472 1.00 0.00 C ATOM 882 NZ LYS A 59 14.772 7.730 5.453 1.00 0.00 N ATOM 0 H LYS A 59 13.545 5.715 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 59 14.994 3.960 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.409 6.369 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.801 6.698 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.725 4.932 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.806 6.677 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.178 6.470 3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.574 4.816 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.665 6.093 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.321 5.713 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.672 8.121 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.751 7.861 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.123 8.224 4.808 1.00 0.00 H new ATOM 892 N PHE A 60 11.817 4.562 1.767 1.00 0.00 N ATOM 893 CA PHE A 60 10.654 4.072 2.487 1.00 0.00 C ATOM 894 C PHE A 60 10.332 2.629 2.093 1.00 0.00 C ATOM 895 O PHE A 60 9.840 1.854 2.912 1.00 0.00 O ATOM 896 CB PHE A 60 9.476 4.969 2.093 1.00 0.00 C ATOM 897 CG PHE A 60 8.716 5.555 3.286 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.973 4.743 4.083 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.785 6.888 3.545 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.269 5.287 5.190 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.079 7.432 4.651 1.00 0.00 C ATOM 902 CZ PHE A 60 7.335 6.620 5.450 1.00 0.00 C ATOM 0 H PHE A 60 11.632 5.344 1.138 1.00 0.00 H new ATOM 0 HA PHE A 60 10.844 4.094 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.846 5.786 1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.782 4.393 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.918 3.685 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.376 7.532 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.681 4.642 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.133 8.491 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.797 7.034 6.290 1.00 0.00 H new ATOM 911 N ASP A 61 10.625 2.311 0.841 1.00 0.00 N ATOM 912 CA ASP A 61 10.375 0.975 0.330 1.00 0.00 C ATOM 913 C ASP A 61 11.136 -0.044 1.181 1.00 0.00 C ATOM 914 O ASP A 61 10.622 -1.120 1.476 1.00 0.00 O ATOM 915 CB ASP A 61 10.859 0.839 -1.116 1.00 0.00 C ATOM 916 CG ASP A 61 10.730 -0.566 -1.711 1.00 0.00 C ATOM 917 OD1 ASP A 61 10.034 -1.388 -1.077 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.330 -0.784 -2.786 1.00 0.00 O ATOM 0 H ASP A 61 11.034 2.956 0.165 1.00 0.00 H new ATOM 0 HA ASP A 61 9.301 0.795 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.296 1.534 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.905 1.143 -1.164 1.00 0.00 H new ATOM 922 N ALA A 62 12.350 0.336 1.554 1.00 0.00 N ATOM 923 CA ALA A 62 13.188 -0.530 2.367 1.00 0.00 C ATOM 924 C ALA A 62 12.715 -0.471 3.820 1.00 0.00 C ATOM 925 O ALA A 62 12.620 -1.500 4.487 1.00 0.00 O ATOM 926 CB ALA A 62 14.652 -0.116 2.212 1.00 0.00 C ATOM 0 H ALA A 62 12.773 1.231 1.308 1.00 0.00 H new ATOM 0 HA ALA A 62 13.106 -1.565 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.280 -0.765 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.946 -0.204 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.774 0.917 2.538 1.00 0.00 H new ATOM 932 N GLU A 63 12.432 0.743 4.268 1.00 0.00 N ATOM 933 CA GLU A 63 11.972 0.948 5.631 1.00 0.00 C ATOM 934 C GLU A 63 10.654 0.207 5.865 1.00 0.00 C ATOM 935 O GLU A 63 10.393 -0.269 6.969 1.00 0.00 O ATOM 936 CB GLU A 63 11.823 2.440 5.941 1.00 0.00 C ATOM 937 CG GLU A 63 13.046 2.968 6.693 1.00 0.00 C ATOM 938 CD GLU A 63 12.666 4.141 7.600 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.695 4.842 7.245 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.357 4.311 8.627 1.00 0.00 O ATOM 0 H GLU A 63 12.512 1.594 3.712 1.00 0.00 H new ATOM 0 HA GLU A 63 12.721 0.541 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.694 2.997 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.926 2.603 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.484 2.168 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.807 3.286 5.980 1.00 0.00 H new ATOM 945 N ILE A 64 9.859 0.131 4.808 1.00 0.00 N ATOM 946 CA ILE A 64 8.576 -0.546 4.883 1.00 0.00 C ATOM 947 C ILE A 64 8.765 -2.027 4.550 1.00 0.00 C ATOM 948 O ILE A 64 8.004 -2.874 5.017 1.00 0.00 O ATOM 949 CB ILE A 64 7.547 0.158 3.997 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.883 1.318 4.741 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.518 -0.837 3.454 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.588 0.866 5.419 1.00 0.00 C ATOM 0 H ILE A 64 10.079 0.527 3.894 1.00 0.00 H new ATOM 0 HA ILE A 64 8.177 -0.496 5.896 1.00 0.00 H new ATOM 0 HB ILE A 64 8.070 0.582 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.569 1.715 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.669 2.127 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.798 -0.310 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.026 -1.599 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.997 -1.311 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.137 1.710 5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.894 0.492 4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.809 0.074 6.134 1.00 0.00 H new ATOM 963 N CYS A 65 9.783 -2.294 3.746 1.00 0.00 N ATOM 964 CA CYS A 65 10.082 -3.659 3.346 1.00 0.00 C ATOM 965 C CYS A 65 10.789 -4.357 4.509 1.00 0.00 C ATOM 966 O CYS A 65 10.658 -5.569 4.682 1.00 0.00 O ATOM 967 CB CYS A 65 10.915 -3.703 2.064 1.00 0.00 C ATOM 968 SG CYS A 65 11.393 -5.429 1.687 1.00 0.00 S ATOM 0 H CYS A 65 10.411 -1.589 3.361 1.00 0.00 H new ATOM 0 HA CYS A 65 9.155 -4.184 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.344 -3.286 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.807 -3.087 2.179 1.00 0.00 H new ATOM 0 HG CYS A 65 11.221 -6.168 2.743 1.00 0.00 H new ATOM 973 N ILE A 66 11.521 -3.564 5.277 1.00 0.00 N ATOM 974 CA ILE A 66 12.248 -4.091 6.419 1.00 0.00 C ATOM 975 C ILE A 66 11.275 -4.822 7.346 1.00 0.00 C ATOM 976 O ILE A 66 11.500 -5.978 7.701 1.00 0.00 O ATOM 977 CB ILE A 66 13.038 -2.978 7.112 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.507 -3.001 6.685 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.880 -3.058 8.632 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.637 -2.940 5.162 1.00 0.00 C ATOM 0 H ILE A 66 11.626 -2.560 5.131 1.00 0.00 H new ATOM 0 HA ILE A 66 12.989 -4.822 6.094 1.00 0.00 H new ATOM 0 HB ILE A 66 12.627 -2.019 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.033 -2.157 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.984 -3.908 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.451 -2.256 9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.827 -2.954 8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.249 -4.021 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.691 -2.958 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.131 -3.798 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.181 -2.021 4.794 1.00 0.00 H new ATOM 991 N PRO A 67 10.186 -4.099 7.721 1.00 0.00 N ATOM 992 CA PRO A 67 9.178 -4.667 8.599 1.00 0.00 C ATOM 993 C PRO A 67 8.297 -5.668 7.850 1.00 0.00 C ATOM 994 O PRO A 67 7.369 -6.236 8.424 1.00 0.00 O ATOM 995 CB PRO A 67 8.400 -3.473 9.128 1.00 0.00 C ATOM 996 CG PRO A 67 8.696 -2.327 8.174 1.00 0.00 C ATOM 997 CD PRO A 67 9.887 -2.728 7.319 1.00 0.00 C ATOM 0 HA PRO A 67 9.611 -5.240 9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.332 -3.687 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.708 -3.225 10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.829 -2.119 7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.915 -1.415 8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.650 -2.670 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.738 -2.070 7.492 1.00 0.00 H new ATOM 1002 N ASN A 68 8.620 -5.856 6.579 1.00 0.00 N ATOM 1003 CA ASN A 68 7.870 -6.779 5.745 1.00 0.00 C ATOM 1004 C ASN A 68 8.629 -8.105 5.649 1.00 0.00 C ATOM 1005 O ASN A 68 9.858 -8.121 5.615 1.00 0.00 O ATOM 1006 CB ASN A 68 7.702 -6.229 4.327 1.00 0.00 C ATOM 1007 CG ASN A 68 6.883 -4.936 4.336 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.274 -4.563 5.324 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.903 -4.277 3.181 1.00 0.00 N ATOM 0 H ASN A 68 9.391 -5.385 6.106 1.00 0.00 H new ATOM 0 HA ASN A 68 6.888 -6.919 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.681 -6.041 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.209 -6.972 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.387 -3.402 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.434 -4.646 2.392 1.00 0.00 H new ATOM 1015 N GLU A 69 7.863 -9.186 5.609 1.00 0.00 N ATOM 1016 CA GLU A 69 8.447 -10.513 5.518 1.00 0.00 C ATOM 1017 C GLU A 69 7.810 -11.295 4.368 1.00 0.00 C ATOM 1018 O GLU A 69 7.167 -12.321 4.590 1.00 0.00 O ATOM 1019 CB GLU A 69 8.301 -11.269 6.841 1.00 0.00 C ATOM 1020 CG GLU A 69 9.572 -11.149 7.683 1.00 0.00 C ATOM 1021 CD GLU A 69 9.986 -12.509 8.249 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.286 -12.976 9.174 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.993 -13.050 7.744 1.00 0.00 O ATOM 0 H GLU A 69 6.844 -9.169 5.638 1.00 0.00 H new ATOM 0 HA GLU A 69 9.512 -10.406 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.452 -10.873 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.090 -12.320 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.380 -10.744 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.406 -10.446 8.500 1.00 0.00 H new ATOM 1028 N GLY A 70 8.011 -10.783 3.162 1.00 0.00 N ATOM 1029 CA GLY A 70 7.465 -11.421 1.977 1.00 0.00 C ATOM 1030 C GLY A 70 7.648 -10.534 0.744 1.00 0.00 C ATOM 1031 O GLY A 70 8.499 -9.644 0.735 1.00 0.00 O ATOM 0 H GLY A 70 8.545 -9.933 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.958 -12.380 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.405 -11.628 2.127 1.00 0.00 H new ATOM 1035 N HIS A 71 6.838 -10.806 -0.268 1.00 0.00 N ATOM 1036 CA HIS A 71 6.900 -10.044 -1.503 1.00 0.00 C ATOM 1037 C HIS A 71 5.819 -8.963 -1.493 1.00 0.00 C ATOM 1038 O HIS A 71 4.763 -9.141 -0.889 1.00 0.00 O ATOM 1039 CB HIS A 71 6.803 -10.970 -2.719 1.00 0.00 C ATOM 1040 CG HIS A 71 7.947 -11.947 -2.839 1.00 0.00 C ATOM 1041 ND1 HIS A 71 8.256 -12.597 -4.021 1.00 0.00 N ATOM 1042 CD2 HIS A 71 8.852 -12.380 -1.914 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.302 -13.382 -3.806 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.669 -13.246 -2.499 1.00 0.00 N ATOM 0 H HIS A 71 6.134 -11.544 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 71 7.865 -9.543 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.867 -11.527 -2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.761 -10.363 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.896 -12.070 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.780 -14.018 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.444 -13.730 -2.046 1.00 0.00 H new ATOM 1051 N ILE A 72 6.120 -7.863 -2.172 1.00 0.00 N ATOM 1052 CA ILE A 72 5.186 -6.753 -2.248 1.00 0.00 C ATOM 1053 C ILE A 72 5.181 -6.195 -3.672 1.00 0.00 C ATOM 1054 O ILE A 72 6.231 -6.088 -4.305 1.00 0.00 O ATOM 1055 CB ILE A 72 5.507 -5.707 -1.179 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.588 -4.739 -1.665 1.00 0.00 C ATOM 1057 CG2 ILE A 72 5.889 -6.375 0.144 1.00 0.00 C ATOM 1058 CD1 ILE A 72 7.075 -3.842 -0.524 1.00 0.00 C ATOM 0 H ILE A 72 6.997 -7.718 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 72 4.173 -7.092 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 72 4.608 -5.119 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.427 -5.301 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.193 -4.123 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.112 -5.609 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.060 -6.989 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.767 -7.003 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.843 -3.164 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.238 -3.263 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.492 -4.459 0.272 1.00 0.00 H new ATOM 1069 N LYS A 73 3.987 -5.854 -4.136 1.00 0.00 N ATOM 1070 CA LYS A 73 3.832 -5.309 -5.475 1.00 0.00 C ATOM 1071 C LYS A 73 3.165 -3.935 -5.386 1.00 0.00 C ATOM 1072 O LYS A 73 2.231 -3.744 -4.608 1.00 0.00 O ATOM 1073 CB LYS A 73 3.087 -6.300 -6.372 1.00 0.00 C ATOM 1074 CG LYS A 73 1.893 -6.913 -5.639 1.00 0.00 C ATOM 1075 CD LYS A 73 0.737 -7.183 -6.604 1.00 0.00 C ATOM 1076 CE LYS A 73 -0.180 -8.284 -6.065 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.388 -9.620 -6.352 1.00 0.00 N ATOM 0 H LYS A 73 3.118 -5.944 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 73 4.805 -5.161 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.743 -5.793 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.767 -7.090 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.195 -7.844 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.562 -6.239 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.163 -6.269 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.131 -7.477 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.311 -8.162 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.167 -8.197 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.247 -10.355 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.491 -9.740 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.320 -9.706 -5.899 1.00 0.00 H new ATOM 1087 N TYR A 74 3.669 -3.015 -6.197 1.00 0.00 N ATOM 1088 CA TYR A 74 3.134 -1.665 -6.221 1.00 0.00 C ATOM 1089 C TYR A 74 3.040 -1.137 -7.654 1.00 0.00 C ATOM 1090 O TYR A 74 3.758 -1.602 -8.538 1.00 0.00 O ATOM 1091 CB TYR A 74 4.126 -0.803 -5.436 1.00 0.00 C ATOM 1092 CG TYR A 74 5.584 -1.246 -5.580 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.281 -0.958 -6.736 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.201 -1.934 -4.555 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.653 -1.374 -6.873 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.572 -2.351 -4.692 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.231 -2.050 -5.843 1.00 0.00 C ATOM 1098 OH TYR A 74 9.526 -2.444 -5.972 1.00 0.00 O ATOM 0 H TYR A 74 4.442 -3.179 -6.842 1.00 0.00 H new ATOM 0 HA TYR A 74 2.132 -1.643 -5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.036 0.231 -5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.853 -0.823 -4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.797 -0.420 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.656 -2.159 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.210 -1.155 -7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.066 -2.891 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 74 9.807 -2.915 -5.160 1.00 0.00 H new ATOM 1107 N GLU A 75 2.150 -0.173 -7.839 1.00 0.00 N ATOM 1108 CA GLU A 75 1.953 0.422 -9.148 1.00 0.00 C ATOM 1109 C GLU A 75 1.812 1.940 -9.027 1.00 0.00 C ATOM 1110 O GLU A 75 0.887 2.432 -8.382 1.00 0.00 O ATOM 1111 CB GLU A 75 0.737 -0.187 -9.850 1.00 0.00 C ATOM 1112 CG GLU A 75 1.099 -0.667 -11.257 1.00 0.00 C ATOM 1113 CD GLU A 75 1.413 -2.165 -11.260 1.00 0.00 C ATOM 1114 OE1 GLU A 75 1.963 -2.633 -10.240 1.00 0.00 O ATOM 1115 OE2 GLU A 75 1.094 -2.809 -12.283 1.00 0.00 O ATOM 0 H GLU A 75 1.557 0.210 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 75 2.830 0.206 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.355 -1.023 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.062 0.552 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.273 -0.463 -11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.961 -0.110 -11.625 1.00 0.00 H new ATOM 1120 N ILE A 76 2.744 2.642 -9.655 1.00 0.00 N ATOM 1121 CA ILE A 76 2.737 4.093 -9.625 1.00 0.00 C ATOM 1122 C ILE A 76 2.637 4.628 -11.055 1.00 0.00 C ATOM 1123 O ILE A 76 3.570 4.482 -11.842 1.00 0.00 O ATOM 1124 CB ILE A 76 3.947 4.621 -8.853 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.948 4.105 -7.414 1.00 0.00 C ATOM 1126 CG2 ILE A 76 4.015 6.149 -8.915 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.696 5.065 -6.487 1.00 0.00 C ATOM 0 H ILE A 76 3.510 2.231 -10.188 1.00 0.00 H new ATOM 0 HA ILE A 76 1.863 4.458 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 76 4.849 4.240 -9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.922 3.984 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.415 3.121 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.885 6.497 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.098 6.468 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.111 6.572 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.681 4.674 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.728 5.165 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.212 6.041 -6.507 1.00 0.00 H new ATOM 1138 N SER A 77 1.497 5.238 -11.347 1.00 0.00 N ATOM 1139 CA SER A 77 1.264 5.796 -12.668 1.00 0.00 C ATOM 1140 C SER A 77 1.521 7.303 -12.653 1.00 0.00 C ATOM 1141 O SER A 77 0.875 8.040 -11.911 1.00 0.00 O ATOM 1142 CB SER A 77 -0.162 5.505 -13.143 1.00 0.00 C ATOM 1143 OG SER A 77 -0.399 4.109 -13.298 1.00 0.00 O ATOM 0 H SER A 77 0.725 5.358 -10.691 1.00 0.00 H new ATOM 0 HA SER A 77 1.955 5.324 -13.366 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.874 5.916 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.338 6.010 -14.093 1.00 0.00 H new ATOM 0 HG SER A 77 -1.320 3.965 -13.600 1.00 0.00 H new ATOM 1148 N SER A 78 2.467 7.718 -13.484 1.00 0.00 N ATOM 1149 CA SER A 78 2.819 9.124 -13.576 1.00 0.00 C ATOM 1150 C SER A 78 1.557 9.968 -13.762 1.00 0.00 C ATOM 1151 O SER A 78 1.518 11.131 -13.366 1.00 0.00 O ATOM 1152 CB SER A 78 3.798 9.373 -14.726 1.00 0.00 C ATOM 1153 OG SER A 78 4.853 8.415 -14.745 1.00 0.00 O ATOM 0 H SER A 78 3.000 7.104 -14.100 1.00 0.00 H new ATOM 0 HA SER A 78 3.310 9.415 -12.647 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.260 9.339 -15.674 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.219 10.374 -14.634 1.00 0.00 H new ATOM 0 HG SER A 78 5.455 8.607 -15.494 1.00 0.00 H new ATOM 1158 N ASP A 79 0.553 9.348 -14.366 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.708 10.028 -14.611 1.00 0.00 C ATOM 1160 C ASP A 79 -1.260 10.559 -13.286 1.00 0.00 C ATOM 1161 O ASP A 79 -2.086 11.472 -13.276 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.744 9.071 -15.206 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.228 8.180 -16.337 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -0.298 8.635 -17.038 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -1.774 7.065 -16.476 1.00 0.00 O ATOM 0 H ASP A 79 0.587 8.382 -14.693 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.523 10.840 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.128 8.434 -14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.584 9.656 -15.580 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.783 9.967 -12.202 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.219 10.369 -10.876 1.00 0.00 C ATOM 1171 C GLY A 80 -2.083 9.284 -10.231 1.00 0.00 C ATOM 1172 O GLY A 80 -3.101 9.585 -9.608 1.00 0.00 O ATOM 0 H GLY A 80 -0.098 9.211 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.350 10.568 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.785 11.298 -10.941 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.645 8.045 -10.399 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.365 6.913 -9.841 1.00 0.00 C ATOM 1178 C LEU A 81 -1.376 5.982 -9.138 1.00 0.00 C ATOM 1179 O LEU A 81 -0.476 5.433 -9.772 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.199 6.222 -10.922 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.630 5.848 -10.528 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -4.646 5.016 -9.245 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.510 7.094 -10.416 1.00 0.00 C ATOM 0 H LEU A 81 -0.799 7.800 -10.914 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.078 7.249 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.242 6.876 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.679 5.315 -11.230 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.051 5.227 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.675 4.764 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.075 4.100 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.199 5.590 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.522 6.801 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.101 7.761 -9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.535 7.609 -11.376 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.576 5.832 -7.838 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.713 4.976 -7.041 1.00 0.00 C ATOM 1196 C ILE A 82 -1.556 3.890 -6.370 1.00 0.00 C ATOM 1197 O ILE A 82 -2.570 4.187 -5.740 1.00 0.00 O ATOM 1198 CB ILE A 82 0.109 5.811 -6.057 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.594 7.108 -6.710 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.267 4.995 -5.478 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.395 8.248 -6.462 1.00 0.00 C ATOM 0 H ILE A 82 -2.323 6.289 -7.315 1.00 0.00 H new ATOM 0 HA ILE A 82 0.012 4.469 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.537 6.090 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.572 7.377 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.718 6.956 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.835 5.612 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.872 4.125 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.920 4.665 -6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.027 9.158 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.365 7.986 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.498 8.414 -5.390 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.107 2.654 -6.529 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.808 1.522 -5.947 1.00 0.00 C ATOM 1214 C VAL A 83 -0.809 0.637 -5.201 1.00 0.00 C ATOM 1215 O VAL A 83 0.313 0.434 -5.664 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.579 0.771 -7.034 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.622 0.137 -8.046 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.504 -0.283 -6.421 1.00 0.00 C ATOM 0 H VAL A 83 -0.266 2.411 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.545 1.861 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.199 1.494 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.196 -0.391 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.023 0.916 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.965 -0.566 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.040 -0.802 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.912 -1.001 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.219 0.203 -5.757 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.251 0.133 -4.057 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.408 -0.725 -3.242 1.00 0.00 C ATOM 1230 C LEU A 84 -1.051 -2.111 -3.138 1.00 0.00 C ATOM 1231 O LEU A 84 -2.207 -2.234 -2.737 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.130 -0.072 -1.887 1.00 0.00 C ATOM 1233 CG LEU A 84 1.274 -0.285 -1.318 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.545 -1.768 -1.063 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.334 0.345 -2.225 1.00 0.00 C ATOM 0 H LEU A 84 -2.182 0.303 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 84 0.567 -0.859 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.305 1.000 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.854 -0.452 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 84 1.332 0.221 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.550 -1.890 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.817 -2.153 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.461 -2.319 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.323 0.180 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.285 -0.111 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.150 1.416 -2.310 1.00 0.00 H new ATOM 1246 N MET A 85 -0.272 -3.118 -3.503 1.00 0.00 N ATOM 1247 CA MET A 85 -0.751 -4.489 -3.455 1.00 0.00 C ATOM 1248 C MET A 85 0.068 -5.321 -2.464 1.00 0.00 C ATOM 1249 O MET A 85 1.272 -5.496 -2.642 1.00 0.00 O ATOM 1250 CB MET A 85 -0.653 -5.113 -4.849 1.00 0.00 C ATOM 1251 CG MET A 85 -1.820 -4.667 -5.731 1.00 0.00 C ATOM 1252 SD MET A 85 -1.212 -3.710 -7.109 1.00 0.00 S ATOM 1253 CE MET A 85 -0.487 -2.334 -6.235 1.00 0.00 C ATOM 0 H MET A 85 0.687 -3.012 -3.833 1.00 0.00 H new ATOM 0 HA MET A 85 -1.789 -4.481 -3.123 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.290 -4.826 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.650 -6.200 -4.766 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.365 -5.538 -6.095 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.522 -4.073 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.073 -1.625 -6.952 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.252 -1.840 -5.636 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.308 -2.696 -5.582 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.619 -5.811 -1.443 1.00 0.00 N ATOM 1262 CA LEU A 86 0.029 -6.620 -0.425 1.00 0.00 C ATOM 1263 C LEU A 86 -0.759 -7.918 -0.234 1.00 0.00 C ATOM 1264 O LEU A 86 -1.988 -7.899 -0.179 1.00 0.00 O ATOM 1265 CB LEU A 86 0.212 -5.816 0.864 1.00 0.00 C ATOM 1266 CG LEU A 86 0.870 -4.444 0.710 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.921 -3.706 2.049 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.255 -4.569 0.072 1.00 0.00 C ATOM 0 H LEU A 86 -1.618 -5.663 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 86 1.033 -6.900 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.766 -5.678 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.810 -6.408 1.556 1.00 0.00 H new ATOM 0 HG LEU A 86 0.257 -3.846 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.394 -2.734 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.092 -3.567 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.498 -4.291 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.701 -3.579 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.890 -5.193 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.162 -5.024 -0.914 1.00 0.00 H new ATOM 1279 N ASP A 87 -0.021 -9.013 -0.138 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.635 -10.316 0.048 1.00 0.00 C ATOM 1281 C ASP A 87 -1.121 -10.445 1.492 1.00 0.00 C ATOM 1282 O ASP A 87 -0.808 -9.605 2.334 1.00 0.00 O ATOM 1283 CB ASP A 87 0.369 -11.441 -0.215 1.00 0.00 C ATOM 1284 CG ASP A 87 0.398 -11.958 -1.655 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.170 -11.128 -2.561 1.00 0.00 O ATOM 1286 OD2 ASP A 87 0.648 -13.173 -1.815 1.00 0.00 O ATOM 0 H ASP A 87 0.998 -9.025 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.464 -10.401 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.366 -11.087 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.141 -12.274 0.450 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.879 -11.503 1.736 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.412 -11.754 3.065 1.00 0.00 C ATOM 1292 C LYS A 88 -1.273 -12.176 3.995 1.00 0.00 C ATOM 1293 O LYS A 88 -1.242 -11.786 5.161 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.560 -12.763 3.001 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.548 -12.542 4.148 1.00 0.00 C ATOM 1296 CD LYS A 88 -4.013 -13.130 5.455 1.00 0.00 C ATOM 1297 CE LYS A 88 -5.026 -12.963 6.589 1.00 0.00 C ATOM 1298 NZ LYS A 88 -4.850 -14.028 7.601 1.00 0.00 N ATOM 0 H LYS A 88 -2.137 -12.198 1.035 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.843 -10.843 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.078 -12.670 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.162 -13.776 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.732 -11.475 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.505 -13.003 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.788 -14.188 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.078 -12.638 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.901 -11.986 7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.039 -12.998 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.545 -13.900 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.992 -14.957 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.889 -13.976 7.996 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.364 -12.967 3.443 1.00 0.00 N ATOM 1309 CA GLU A 89 0.774 -13.446 4.210 1.00 0.00 C ATOM 1310 C GLU A 89 1.642 -12.270 4.664 1.00 0.00 C ATOM 1311 O GLU A 89 2.513 -12.430 5.516 1.00 0.00 O ATOM 1312 CB GLU A 89 1.595 -14.453 3.401 1.00 0.00 C ATOM 1313 CG GLU A 89 2.072 -13.838 2.083 1.00 0.00 C ATOM 1314 CD GLU A 89 1.402 -14.517 0.887 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.303 -15.077 1.095 1.00 0.00 O ATOM 1316 OE2 GLU A 89 2.001 -14.460 -0.207 1.00 0.00 O ATOM 0 H GLU A 89 -0.392 -13.288 2.475 1.00 0.00 H new ATOM 0 HA GLU A 89 0.400 -13.959 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.455 -14.780 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.993 -15.338 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.847 -12.771 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.155 -13.937 2.002 1.00 0.00 H new ATOM 1321 N ILE A 90 1.373 -11.116 4.072 1.00 0.00 N ATOM 1322 CA ILE A 90 2.119 -9.913 4.404 1.00 0.00 C ATOM 1323 C ILE A 90 1.141 -8.804 4.796 1.00 0.00 C ATOM 1324 O ILE A 90 1.411 -7.625 4.572 1.00 0.00 O ATOM 1325 CB ILE A 90 3.055 -9.530 3.255 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.273 -8.922 2.090 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.901 -10.726 2.816 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.220 -8.354 1.032 1.00 0.00 C ATOM 0 H ILE A 90 0.649 -10.988 3.365 1.00 0.00 H new ATOM 0 HA ILE A 90 2.764 -10.089 5.265 1.00 0.00 H new ATOM 0 HB ILE A 90 3.742 -8.764 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.634 -9.682 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.619 -8.132 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.557 -10.427 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.503 -11.074 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.247 -11.531 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.639 -7.928 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.841 -7.578 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.856 -9.151 0.648 1.00 0.00 H new ATOM 1339 N GLU A 91 0.024 -9.220 5.375 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.995 -8.276 5.801 1.00 0.00 C ATOM 1341 C GLU A 91 -0.391 -7.229 6.738 1.00 0.00 C ATOM 1342 O GLU A 91 -0.909 -6.120 6.854 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.168 -8.998 6.467 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.300 -8.022 6.793 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.186 -8.565 7.916 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.651 -8.723 9.035 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.377 -8.811 7.630 1.00 0.00 O ATOM 0 H GLU A 91 -0.198 -10.198 5.559 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.380 -7.765 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.538 -9.783 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.828 -9.485 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.882 -7.060 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.903 -7.848 5.902 1.00 0.00 H new ATOM 1352 N GLU A 92 0.697 -7.619 7.386 1.00 0.00 N ATOM 1353 CA GLU A 92 1.376 -6.730 8.313 1.00 0.00 C ATOM 1354 C GLU A 92 1.749 -5.421 7.614 1.00 0.00 C ATOM 1355 O GLU A 92 1.477 -4.337 8.129 1.00 0.00 O ATOM 1356 CB GLU A 92 2.613 -7.402 8.912 1.00 0.00 C ATOM 1357 CG GLU A 92 3.617 -7.776 7.821 1.00 0.00 C ATOM 1358 CD GLU A 92 4.665 -8.756 8.354 1.00 0.00 C ATOM 1359 OE1 GLU A 92 4.251 -9.709 9.048 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.858 -8.529 8.054 1.00 0.00 O ATOM 0 H GLU A 92 1.125 -8.539 7.287 1.00 0.00 H new ATOM 0 HA GLU A 92 0.694 -6.502 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.084 -6.731 9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.316 -8.296 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.092 -8.223 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.109 -6.877 7.451 1.00 0.00 H new ATOM 1365 N VAL A 93 2.367 -5.563 6.450 1.00 0.00 N ATOM 1366 CA VAL A 93 2.780 -4.407 5.674 1.00 0.00 C ATOM 1367 C VAL A 93 1.550 -3.562 5.332 1.00 0.00 C ATOM 1368 O VAL A 93 1.636 -2.338 5.250 1.00 0.00 O ATOM 1369 CB VAL A 93 3.559 -4.856 4.436 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.672 -5.682 3.501 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.163 -3.657 3.704 1.00 0.00 C ATOM 0 H VAL A 93 2.592 -6.463 6.026 1.00 0.00 H new ATOM 0 HA VAL A 93 3.455 -3.780 6.256 1.00 0.00 H new ATOM 0 HB VAL A 93 4.379 -5.492 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.249 -5.989 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.312 -6.566 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.822 -5.080 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.711 -4.004 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.366 -2.983 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.843 -3.128 4.372 1.00 0.00 H new ATOM 1381 N VAL A 94 0.434 -4.250 5.142 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.811 -3.579 4.810 1.00 0.00 C ATOM 1383 C VAL A 94 -1.090 -2.488 5.844 1.00 0.00 C ATOM 1384 O VAL A 94 -1.370 -1.345 5.487 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.944 -4.602 4.700 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.965 -4.412 5.823 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.618 -4.530 3.327 1.00 0.00 C ATOM 0 H VAL A 94 0.366 -5.265 5.212 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.734 -3.093 3.838 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.509 -5.596 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.759 -5.151 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.473 -4.538 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.391 -3.411 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.419 -5.267 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.032 -3.533 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.883 -4.738 2.550 1.00 0.00 H new ATOM 1397 N GLU A 95 -1.003 -2.879 7.107 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.242 -1.948 8.198 1.00 0.00 C ATOM 1399 C GLU A 95 -0.083 -0.956 8.311 1.00 0.00 C ATOM 1400 O GLU A 95 -0.287 0.207 8.658 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.457 -2.692 9.517 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.218 -4.000 9.290 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.851 -4.497 10.591 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.113 -4.556 11.596 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -4.062 -4.808 10.549 1.00 0.00 O ATOM 0 H GLU A 95 -0.770 -3.828 7.400 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.153 -1.390 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.494 -2.903 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.012 -2.059 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.993 -3.849 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.539 -4.757 8.899 1.00 0.00 H new ATOM 1410 N LYS A 96 1.110 -1.450 8.010 1.00 0.00 N ATOM 1411 CA LYS A 96 2.301 -0.622 8.074 1.00 0.00 C ATOM 1412 C LYS A 96 2.269 0.398 6.934 1.00 0.00 C ATOM 1413 O LYS A 96 2.820 1.491 7.059 1.00 0.00 O ATOM 1414 CB LYS A 96 3.561 -1.492 8.085 1.00 0.00 C ATOM 1415 CG LYS A 96 3.423 -2.639 9.090 1.00 0.00 C ATOM 1416 CD LYS A 96 4.502 -2.553 10.170 1.00 0.00 C ATOM 1417 CE LYS A 96 4.468 -3.784 11.079 1.00 0.00 C ATOM 1418 NZ LYS A 96 3.683 -3.504 12.302 1.00 0.00 N ATOM 0 H LYS A 96 1.276 -2.414 7.721 1.00 0.00 H new ATOM 0 HA LYS A 96 2.323 -0.059 9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.738 -1.896 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.427 -0.882 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.437 -2.605 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.499 -3.594 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.483 -2.469 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.354 -1.652 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.030 -4.627 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.484 -4.072 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.670 -4.350 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.117 -2.714 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.709 -3.252 12.039 1.00 0.00 H new ATOM 1428 N VAL A 97 1.621 0.006 5.849 1.00 0.00 N ATOM 1429 CA VAL A 97 1.509 0.872 4.687 1.00 0.00 C ATOM 1430 C VAL A 97 0.479 1.965 4.969 1.00 0.00 C ATOM 1431 O VAL A 97 0.720 3.138 4.686 1.00 0.00 O ATOM 1432 CB VAL A 97 1.176 0.041 3.446 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.356 0.858 2.445 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.448 -0.507 2.794 1.00 0.00 C ATOM 0 H VAL A 97 1.167 -0.902 5.749 1.00 0.00 H new ATOM 0 HA VAL A 97 2.459 1.366 4.485 1.00 0.00 H new ATOM 0 HB VAL A 97 0.571 -0.808 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.132 0.245 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.575 1.177 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.926 1.734 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.182 -1.094 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.091 0.322 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.978 -1.140 3.506 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.649 1.543 5.524 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.717 2.474 5.847 1.00 0.00 C ATOM 1446 C LYS A 98 -1.188 3.541 6.808 1.00 0.00 C ATOM 1447 O LYS A 98 -1.421 4.731 6.609 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.939 1.721 6.376 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.906 1.377 5.241 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.344 1.281 5.754 1.00 0.00 C ATOM 1451 CE LYS A 98 -6.018 2.655 5.757 1.00 0.00 C ATOM 1452 NZ LYS A 98 -6.725 2.883 7.037 1.00 0.00 N ATOM 0 H LYS A 98 -0.846 0.570 5.758 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.053 2.994 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.619 0.806 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.450 2.329 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.844 2.138 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.615 0.431 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.913 0.594 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.347 0.868 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.271 3.434 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.723 2.723 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.177 3.820 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.452 2.150 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.044 2.839 7.822 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.484 3.073 7.829 1.00 0.00 N ATOM 1463 CA LYS A 99 0.081 3.972 8.822 1.00 0.00 C ATOM 1464 C LYS A 99 1.194 4.802 8.178 1.00 0.00 C ATOM 1465 O LYS A 99 1.371 5.973 8.511 1.00 0.00 O ATOM 1466 CB LYS A 99 0.533 3.190 10.056 1.00 0.00 C ATOM 1467 CG LYS A 99 1.582 2.140 9.686 1.00 0.00 C ATOM 1468 CD LYS A 99 2.995 2.714 9.794 1.00 0.00 C ATOM 1469 CE LYS A 99 3.666 2.282 11.100 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.497 3.322 12.138 1.00 0.00 N ATOM 0 H LYS A 99 -0.292 2.084 7.990 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.675 4.673 9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.946 3.877 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.326 2.704 10.518 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.485 1.277 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.406 1.787 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.593 2.379 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.954 3.802 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.234 1.343 11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.727 2.101 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.958 3.013 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.930 4.210 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.484 3.475 12.314 1.00 0.00 H new ATOM 1480 N PHE A 100 1.912 4.164 7.267 1.00 0.00 N ATOM 1481 CA PHE A 100 3.002 4.828 6.573 1.00 0.00 C ATOM 1482 C PHE A 100 2.480 5.963 5.691 1.00 0.00 C ATOM 1483 O PHE A 100 2.954 7.095 5.782 1.00 0.00 O ATOM 1484 CB PHE A 100 3.676 3.779 5.688 1.00 0.00 C ATOM 1485 CG PHE A 100 4.123 4.308 4.324 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.763 5.504 4.236 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.878 3.583 3.199 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.177 5.996 2.969 1.00 0.00 C ATOM 1489 CE2 PHE A 100 4.291 4.075 1.933 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.933 5.271 1.845 1.00 0.00 C ATOM 0 H PHE A 100 1.760 3.193 6.993 1.00 0.00 H new ATOM 0 HA PHE A 100 3.696 5.256 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.544 3.379 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.985 2.949 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.957 6.080 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.369 2.633 3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.686 6.946 2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.096 3.500 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.249 5.645 0.882 1.00 0.00 H new ATOM 1499 N VAL A 101 1.511 5.621 4.856 1.00 0.00 N ATOM 1500 CA VAL A 101 0.917 6.598 3.957 1.00 0.00 C ATOM 1501 C VAL A 101 0.334 7.751 4.777 1.00 0.00 C ATOM 1502 O VAL A 101 0.621 8.916 4.507 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.118 5.920 3.058 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.874 6.953 2.219 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.537 4.864 2.166 1.00 0.00 C ATOM 0 H VAL A 101 1.121 4.681 4.782 1.00 0.00 H new ATOM 0 HA VAL A 101 1.675 7.020 3.296 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.840 5.415 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.604 6.446 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.388 7.652 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.169 7.498 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.221 4.398 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.290 5.337 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.009 4.104 2.789 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.474 7.385 5.760 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.102 8.374 6.620 1.00 0.00 C ATOM 1517 C GLU A 102 -0.046 9.087 7.468 1.00 0.00 C ATOM 1518 O GLU A 102 -0.261 10.211 7.917 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.172 7.732 7.505 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.554 7.148 8.778 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.580 6.322 9.556 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -3.325 5.571 8.891 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.595 6.460 10.799 1.00 0.00 O ATOM 0 H GLU A 102 -0.709 6.417 5.981 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.595 9.114 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.924 8.475 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.683 6.945 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.700 6.523 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.179 7.955 9.407 1.00 0.00 H new ATOM 1528 N GLU A 103 1.073 8.403 7.661 1.00 0.00 N ATOM 1529 CA GLU A 103 2.162 8.957 8.445 1.00 0.00 C ATOM 1530 C GLU A 103 2.826 10.111 7.691 1.00 0.00 C ATOM 1531 O GLU A 103 3.181 11.126 8.288 1.00 0.00 O ATOM 1532 CB GLU A 103 3.185 7.877 8.803 1.00 0.00 C ATOM 1533 CG GLU A 103 2.875 7.259 10.169 1.00 0.00 C ATOM 1534 CD GLU A 103 3.559 8.041 11.292 1.00 0.00 C ATOM 1535 OE1 GLU A 103 4.799 7.923 11.392 1.00 0.00 O ATOM 1536 OE2 GLU A 103 2.826 8.739 12.026 1.00 0.00 O ATOM 0 H GLU A 103 1.248 7.470 7.287 1.00 0.00 H new ATOM 0 HA GLU A 103 1.751 9.346 9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.181 7.100 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.186 8.308 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.797 7.249 10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.209 6.222 10.187 1.00 0.00 H new ATOM 1541 N ASN A 104 2.976 9.916 6.389 1.00 0.00 N ATOM 1542 CA ASN A 104 3.589 10.929 5.546 1.00 0.00 C ATOM 1543 C ASN A 104 2.570 12.033 5.257 1.00 0.00 C ATOM 1544 O ASN A 104 2.936 13.200 5.121 1.00 0.00 O ATOM 1545 CB ASN A 104 4.035 10.335 4.208 1.00 0.00 C ATOM 1546 CG ASN A 104 5.420 10.852 3.813 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.578 11.642 2.897 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.411 10.363 4.554 1.00 0.00 N ATOM 0 H ASN A 104 2.684 9.072 5.897 1.00 0.00 H new ATOM 0 HA ASN A 104 4.457 11.325 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.055 9.247 4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.313 10.592 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.373 10.647 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.208 9.705 5.306 1.00 0.00 H new ATOM 1554 N ASN A 105 1.312 11.626 5.172 1.00 0.00 N ATOM 1555 CA ASN A 105 0.239 12.565 4.902 1.00 0.00 C ATOM 1556 C ASN A 105 0.486 13.856 5.685 1.00 0.00 C ATOM 1557 O ASN A 105 0.753 14.902 5.097 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.113 11.999 5.340 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.884 11.432 4.145 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.793 12.047 3.613 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.470 10.229 3.756 1.00 0.00 N ATOM 0 H ASN A 105 1.013 10.658 5.286 1.00 0.00 H new ATOM 0 HA ASN A 105 0.220 12.754 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.960 11.216 6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.701 12.782 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.920 9.765 2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.702 9.770 4.247 1.00 0.00 H new TER 1567 ASN A 105