USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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 45 LYS NZ :NH3+ -162:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.0236 USER MOD Set 1.3: A 89 ASN : amide:sc= -1.19 K(o=-0.14,f=-8.5!) USER MOD Set 2.1: A 50 TYR OH : rot -164:sc= 2.14 USER MOD Set 2.2: A 59 GLN : amide:sc= 1.06 K(o=3.2,f=1.7) USER MOD Set 3.1: A 31 GLN : amide:sc= -0.914 K(o=-0.91,f=-1.4) USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0534 (180deg=0) USER MOD Single : A 5 SER OG : rot 88:sc= 0.257 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.227) USER MOD Single : A 13 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 22 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.5!) USER MOD Single : A 29 THR OG1 : rot -116:sc= 1.16 USER MOD Single : A 34 SER OG : rot 90:sc= 1.22 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 41 SER OG : rot 80:sc= 1.29 USER MOD Single : A 57 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.0423 F(o=-0.99,f=-0.042) USER MOD Single : A 65 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.546 F(o=-1.9,f=-0.55) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 109:sc= 0.543 USER MOD Single : A 83 GLN : amide:sc= -0.775 X(o=-0.77,f=-0.9) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 0.287 (180deg=-0.607) USER MOD Single : A 93 THR OG1 : rot 112:sc= 1.25 USER MOD Single : A 95 SER OG : rot 75:sc= 1.06 USER MOD Single : A 98 SER OG : rot -160:sc= 0.0122 USER MOD Single : A 102 HIS : no HE2:sc= -0.905 K(o=-0.91,f=-2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -84:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.389 -9.486 2.175 1.00 8.29 N ATOM 2 CA GLY A 1 22.691 -8.339 3.064 1.00 7.86 C ATOM 3 C GLY A 1 22.214 -7.028 2.476 1.00 7.10 C ATOM 4 O GLY A 1 22.018 -6.931 1.262 1.00 7.08 O ATOM 0 H1 GLY A 1 23.119 -10.218 2.292 1.00 8.29 H new ATOM 0 H2 GLY A 1 21.459 -9.881 2.422 1.00 8.29 H new ATOM 0 H3 GLY A 1 22.377 -9.165 1.186 1.00 8.29 H new ATOM 0 HA2 GLY A 1 22.217 -8.496 4.033 1.00 7.86 H new ATOM 0 HA3 GLY A 1 23.766 -8.289 3.239 1.00 7.86 H new ATOM 10 N PRO A 2 21.982 -6.003 3.313 1.00 6.73 N ATOM 11 CA PRO A 2 21.470 -4.706 2.859 1.00 6.29 C ATOM 12 C PRO A 2 22.558 -3.809 2.265 1.00 5.85 C ATOM 13 O PRO A 2 22.515 -2.585 2.402 1.00 6.07 O ATOM 14 CB PRO A 2 20.900 -4.094 4.138 1.00 6.38 C ATOM 15 CG PRO A 2 21.729 -4.671 5.233 1.00 6.76 C ATOM 16 CD PRO A 2 22.134 -6.051 4.783 1.00 7.06 C ATOM 0 HA PRO A 2 20.742 -4.814 2.055 1.00 6.29 H new ATOM 0 HB2 PRO A 2 20.967 -3.006 4.121 1.00 6.38 H new ATOM 0 HB3 PRO A 2 19.847 -4.346 4.263 1.00 6.38 H new ATOM 0 HG2 PRO A 2 22.606 -4.052 5.423 1.00 6.76 H new ATOM 0 HG3 PRO A 2 21.164 -4.717 6.164 1.00 6.76 H new ATOM 0 HD2 PRO A 2 23.160 -6.281 5.072 1.00 7.06 H new ATOM 0 HD3 PRO A 2 21.499 -6.818 5.226 1.00 7.06 H new ATOM 24 N LEU A 3 23.473 -4.414 1.525 1.00 5.64 N ATOM 25 CA LEU A 3 24.503 -3.673 0.814 1.00 5.68 C ATOM 26 C LEU A 3 24.374 -3.939 -0.677 1.00 5.29 C ATOM 27 O LEU A 3 24.376 -5.096 -1.102 1.00 5.56 O ATOM 28 CB LEU A 3 25.895 -4.075 1.304 1.00 6.31 C ATOM 29 CG LEU A 3 26.726 -2.941 1.909 1.00 6.71 C ATOM 30 CD1 LEU A 3 26.622 -1.683 1.057 1.00 7.00 C ATOM 31 CD2 LEU A 3 26.281 -2.663 3.336 1.00 7.22 C ATOM 0 H LEU A 3 23.523 -5.425 1.400 1.00 5.64 H new ATOM 0 HA LEU A 3 24.371 -2.608 1.007 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.787 -4.862 2.050 1.00 6.31 H new ATOM 0 HB3 LEU A 3 26.448 -4.502 0.467 1.00 6.31 H new ATOM 0 HG LEU A 3 27.771 -3.251 1.928 1.00 6.71 H new ATOM 0 HD11 LEU A 3 27.220 -0.890 1.505 1.00 7.00 H new ATOM 0 HD12 LEU A 3 26.991 -1.892 0.053 1.00 7.00 H new ATOM 0 HD13 LEU A 3 25.581 -1.366 1.002 1.00 7.00 H new ATOM 0 HD21 LEU A 3 26.881 -1.854 3.753 1.00 7.22 H new ATOM 0 HD22 LEU A 3 25.230 -2.374 3.340 1.00 7.22 H new ATOM 0 HD23 LEU A 3 26.413 -3.561 3.940 1.00 7.22 H new ATOM 43 N GLY A 4 24.058 -2.896 -1.429 1.00 4.99 N ATOM 44 CA GLY A 4 23.714 -3.072 -2.826 1.00 4.95 C ATOM 45 C GLY A 4 22.267 -3.489 -2.964 1.00 4.12 C ATOM 46 O GLY A 4 21.433 -2.730 -3.452 1.00 4.21 O ATOM 0 H GLY A 4 24.033 -1.931 -1.098 1.00 4.99 H new ATOM 0 HA2 GLY A 4 23.885 -2.142 -3.369 1.00 4.95 H new ATOM 0 HA3 GLY A 4 24.361 -3.826 -3.274 1.00 4.95 H new ATOM 50 N SER A 5 21.946 -4.615 -2.352 1.00 3.64 N ATOM 51 CA SER A 5 20.577 -5.068 -2.232 1.00 3.04 C ATOM 52 C SER A 5 19.941 -4.436 -0.996 1.00 2.18 C ATOM 53 O SER A 5 19.887 -5.052 0.069 1.00 2.49 O ATOM 54 CB SER A 5 20.559 -6.592 -2.124 1.00 3.40 C ATOM 55 OG SER A 5 21.869 -7.096 -1.887 1.00 4.18 O ATOM 0 H SER A 5 22.630 -5.240 -1.925 1.00 3.64 H new ATOM 0 HA SER A 5 20.006 -4.770 -3.111 1.00 3.04 H new ATOM 0 HB2 SER A 5 19.895 -6.896 -1.315 1.00 3.40 H new ATOM 0 HB3 SER A 5 20.159 -7.022 -3.043 1.00 3.40 H new ATOM 0 HG SER A 5 22.044 -7.112 -0.923 1.00 4.18 H new ATOM 61 N VAL A 6 19.634 -3.150 -1.091 1.00 1.77 N ATOM 62 CA VAL A 6 19.169 -2.390 0.062 1.00 1.55 C ATOM 63 C VAL A 6 17.693 -2.641 0.350 1.00 1.64 C ATOM 64 O VAL A 6 16.836 -1.837 -0.012 1.00 2.57 O ATOM 65 CB VAL A 6 19.395 -0.871 -0.112 1.00 2.21 C ATOM 66 CG1 VAL A 6 20.660 -0.436 0.607 1.00 2.77 C ATOM 67 CG2 VAL A 6 19.454 -0.485 -1.584 1.00 2.87 C ATOM 0 H VAL A 6 19.698 -2.611 -1.954 1.00 1.77 H new ATOM 0 HA VAL A 6 19.763 -2.740 0.906 1.00 1.55 H new ATOM 0 HB VAL A 6 18.546 -0.353 0.333 1.00 2.21 H new ATOM 0 HG11 VAL A 6 20.804 0.636 0.474 1.00 2.77 H new ATOM 0 HG12 VAL A 6 20.570 -0.661 1.670 1.00 2.77 H new ATOM 0 HG13 VAL A 6 21.515 -0.971 0.194 1.00 2.77 H new ATOM 0 HG21 VAL A 6 19.614 0.590 -1.672 1.00 2.87 H new ATOM 0 HG22 VAL A 6 20.275 -1.015 -2.066 1.00 2.87 H new ATOM 0 HG23 VAL A 6 18.515 -0.753 -2.068 1.00 2.87 H new ATOM 77 N LYS A 7 17.417 -3.722 1.067 1.00 1.09 N ATOM 78 CA LYS A 7 16.064 -4.035 1.495 1.00 1.10 C ATOM 79 C LYS A 7 15.585 -3.001 2.510 1.00 0.91 C ATOM 80 O LYS A 7 16.205 -2.817 3.560 1.00 0.98 O ATOM 81 CB LYS A 7 16.014 -5.437 2.110 1.00 1.37 C ATOM 82 CG LYS A 7 14.607 -5.928 2.407 1.00 1.06 C ATOM 83 CD LYS A 7 14.568 -6.768 3.674 1.00 1.05 C ATOM 84 CE LYS A 7 13.461 -6.314 4.616 1.00 1.34 C ATOM 85 NZ LYS A 7 13.931 -5.268 5.561 1.00 2.06 N ATOM 0 H LYS A 7 18.119 -4.400 1.365 1.00 1.09 H new ATOM 0 HA LYS A 7 15.406 -4.010 0.626 1.00 1.10 H new ATOM 0 HB2 LYS A 7 16.498 -6.139 1.430 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.592 -5.439 3.034 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.937 -5.075 2.514 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.241 -6.517 1.566 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.416 -7.815 3.412 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.529 -6.703 4.184 1.00 1.05 H new ATOM 0 HE2 LYS A 7 12.625 -5.928 4.034 1.00 1.34 H new ATOM 0 HE3 LYS A 7 13.089 -7.170 5.178 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.446 -5.382 6.474 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 14.957 -5.362 5.700 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 13.719 -4.327 5.171 1.00 2.06 H new ATOM 99 N PRO A 8 14.535 -2.243 2.167 1.00 0.74 N ATOM 100 CA PRO A 8 14.019 -1.173 3.019 1.00 0.60 C ATOM 101 C PRO A 8 13.357 -1.701 4.279 1.00 0.52 C ATOM 102 O PRO A 8 13.055 -2.894 4.386 1.00 0.60 O ATOM 103 CB PRO A 8 12.973 -0.473 2.145 1.00 0.61 C ATOM 104 CG PRO A 8 13.261 -0.919 0.757 1.00 0.84 C ATOM 105 CD PRO A 8 13.823 -2.304 0.884 1.00 0.81 C ATOM 0 HA PRO A 8 14.823 -0.519 3.358 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.962 -0.748 2.445 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.048 0.611 2.234 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.356 -0.918 0.150 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.972 -0.251 0.271 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.039 -3.061 0.891 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.493 -2.547 0.059 1.00 0.81 H new ATOM 113 N ASP A 9 13.022 -0.788 5.173 1.00 0.44 N ATOM 114 CA ASP A 9 12.250 -1.136 6.351 1.00 0.48 C ATOM 115 C ASP A 9 10.774 -0.960 6.030 1.00 0.41 C ATOM 116 O ASP A 9 10.440 -0.194 5.124 1.00 0.41 O ATOM 117 CB ASP A 9 12.650 -0.247 7.532 1.00 0.61 C ATOM 118 CG ASP A 9 12.788 -1.023 8.824 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.598 -1.974 8.869 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.084 -0.691 9.799 1.00 1.53 O ATOM 0 H ASP A 9 13.272 0.199 5.105 1.00 0.44 H new ATOM 0 HA ASP A 9 12.446 -2.171 6.630 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.595 0.247 7.306 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.904 0.537 7.661 1.00 0.61 H new ATOM 125 N PRO A 10 9.872 -1.678 6.726 1.00 0.56 N ATOM 126 CA PRO A 10 8.432 -1.557 6.505 1.00 0.74 C ATOM 127 C PRO A 10 7.988 -0.097 6.483 1.00 0.67 C ATOM 128 O PRO A 10 8.389 0.690 7.346 1.00 0.97 O ATOM 129 CB PRO A 10 7.804 -2.291 7.701 1.00 1.05 C ATOM 130 CG PRO A 10 8.935 -2.617 8.622 1.00 1.12 C ATOM 131 CD PRO A 10 10.168 -2.664 7.769 1.00 0.78 C ATOM 0 HA PRO A 10 8.132 -1.974 5.544 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.063 -1.665 8.198 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.290 -3.196 7.378 1.00 1.05 H new ATOM 0 HG2 PRO A 10 9.031 -1.863 9.403 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.769 -3.573 9.120 1.00 1.12 H new ATOM 0 HD2 PRO A 10 11.062 -2.401 8.334 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.335 -3.657 7.352 1.00 0.78 H new ATOM 139 N PRO A 11 7.255 0.305 5.426 1.00 0.37 N ATOM 140 CA PRO A 11 6.826 1.691 5.225 1.00 0.38 C ATOM 141 C PRO A 11 6.212 2.298 6.480 1.00 0.28 C ATOM 142 O PRO A 11 5.587 1.602 7.284 1.00 0.35 O ATOM 143 CB PRO A 11 5.781 1.600 4.102 1.00 0.50 C ATOM 144 CG PRO A 11 5.630 0.145 3.786 1.00 0.64 C ATOM 145 CD PRO A 11 6.864 -0.540 4.299 1.00 0.41 C ATOM 0 HA PRO A 11 7.668 2.338 4.980 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.831 2.030 4.419 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.105 2.157 3.223 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.737 -0.263 4.259 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.521 -0.008 2.712 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.658 -1.564 4.612 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.645 -0.590 3.540 1.00 0.41 H new ATOM 153 N GLU A 12 6.427 3.585 6.666 1.00 0.28 N ATOM 154 CA GLU A 12 5.941 4.272 7.847 1.00 0.30 C ATOM 155 C GLU A 12 4.886 5.299 7.468 1.00 0.28 C ATOM 156 O GLU A 12 4.761 5.660 6.301 1.00 0.31 O ATOM 157 CB GLU A 12 7.102 4.951 8.574 1.00 0.47 C ATOM 158 CG GLU A 12 8.168 3.982 9.061 1.00 0.98 C ATOM 159 CD GLU A 12 8.818 4.434 10.351 1.00 1.58 C ATOM 160 OE1 GLU A 12 8.107 4.548 11.370 1.00 2.09 O ATOM 161 OE2 GLU A 12 10.039 4.689 10.350 1.00 2.11 O ATOM 0 H GLU A 12 6.937 4.179 6.012 1.00 0.28 H new ATOM 0 HA GLU A 12 5.487 3.539 8.514 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.563 5.678 7.905 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.711 5.506 9.427 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.721 2.999 9.209 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.933 3.872 8.292 1.00 0.98 H new ATOM 168 N ASN A 13 4.135 5.752 8.464 1.00 0.33 N ATOM 169 CA ASN A 13 3.090 6.762 8.269 1.00 0.37 C ATOM 170 C ASN A 13 2.052 6.301 7.244 1.00 0.32 C ATOM 171 O ASN A 13 1.497 7.108 6.500 1.00 0.35 O ATOM 172 CB ASN A 13 3.711 8.095 7.833 1.00 0.45 C ATOM 173 CG ASN A 13 2.866 9.291 8.225 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.105 9.245 9.192 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.989 10.373 7.470 1.00 1.01 N ATOM 0 H ASN A 13 4.229 5.434 9.429 1.00 0.33 H new ATOM 0 HA ASN A 13 2.580 6.903 9.222 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.701 8.193 8.279 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.848 8.091 6.752 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.442 11.207 7.682 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.631 10.371 6.677 1.00 1.01 H new ATOM 182 N VAL A 14 1.808 4.995 7.203 1.00 0.30 N ATOM 183 CA VAL A 14 0.864 4.416 6.251 1.00 0.29 C ATOM 184 C VAL A 14 -0.550 4.427 6.813 1.00 0.32 C ATOM 185 O VAL A 14 -0.789 3.938 7.919 1.00 0.47 O ATOM 186 CB VAL A 14 1.234 2.963 5.888 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.692 2.601 4.517 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.739 2.755 5.935 1.00 0.69 C ATOM 0 H VAL A 14 2.252 4.315 7.820 1.00 0.30 H new ATOM 0 HA VAL A 14 0.913 5.031 5.353 1.00 0.29 H new ATOM 0 HB VAL A 14 0.777 2.305 6.628 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.963 1.573 4.279 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.394 2.699 4.517 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.117 3.271 3.769 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.972 1.722 5.675 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.221 3.426 5.224 1.00 0.69 H new ATOM 0 HG23 VAL A 14 3.104 2.967 6.940 1.00 0.69 H new ATOM 198 N VAL A 15 -1.481 4.984 6.057 1.00 0.27 N ATOM 199 CA VAL A 15 -2.869 5.048 6.486 1.00 0.35 C ATOM 200 C VAL A 15 -3.811 4.994 5.283 1.00 0.34 C ATOM 201 O VAL A 15 -3.606 5.688 4.287 1.00 0.39 O ATOM 202 CB VAL A 15 -3.141 6.326 7.321 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.778 7.583 6.541 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.590 6.376 7.790 1.00 1.48 C ATOM 0 H VAL A 15 -1.301 5.399 5.143 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.059 4.181 7.119 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.503 6.286 8.204 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.980 8.462 7.153 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.720 7.557 6.281 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -3.374 7.631 5.630 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -4.753 7.282 8.373 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.253 6.377 6.925 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -4.803 5.504 8.408 1.00 1.48 H new ATOM 214 N ALA A 16 -4.854 4.180 5.391 1.00 0.35 N ATOM 215 CA ALA A 16 -5.865 4.099 4.353 1.00 0.38 C ATOM 216 C ALA A 16 -7.065 4.943 4.754 1.00 0.36 C ATOM 217 O ALA A 16 -7.544 4.850 5.885 1.00 0.39 O ATOM 218 CB ALA A 16 -6.274 2.655 4.116 1.00 0.45 C ATOM 0 H ALA A 16 -5.019 3.567 6.190 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.455 4.484 3.419 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.033 2.615 3.334 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.404 2.076 3.807 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.680 2.236 5.037 1.00 0.45 H new ATOM 224 N ARG A 17 -7.450 5.865 3.890 1.00 0.37 N ATOM 225 CA ARG A 17 -8.481 6.835 4.227 1.00 0.37 C ATOM 226 C ARG A 17 -9.605 6.820 3.201 1.00 0.35 C ATOM 227 O ARG A 17 -9.360 6.851 1.998 1.00 0.48 O ATOM 228 CB ARG A 17 -7.872 8.235 4.311 1.00 0.50 C ATOM 229 CG ARG A 17 -6.745 8.342 5.321 1.00 1.21 C ATOM 230 CD ARG A 17 -6.302 9.780 5.508 1.00 1.69 C ATOM 231 NE ARG A 17 -5.487 10.258 4.393 1.00 2.32 N ATOM 232 CZ ARG A 17 -4.599 11.243 4.496 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.356 11.799 5.677 1.00 3.37 N ATOM 234 NH2 ARG A 17 -3.942 11.657 3.424 1.00 3.99 N ATOM 0 H ARG A 17 -7.066 5.964 2.950 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.900 6.563 5.196 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.497 8.520 3.328 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.654 8.948 4.573 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.072 7.933 6.277 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -5.899 7.740 4.989 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.180 10.418 5.613 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -5.733 9.865 6.434 1.00 1.69 H new ATOM 0 HE ARG A 17 -5.606 9.811 3.484 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -4.850 11.471 6.507 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.675 12.554 5.755 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.117 11.221 2.519 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.261 12.412 3.503 1.00 3.99 H new ATOM 248 N PRO A 18 -10.857 6.783 3.667 1.00 0.31 N ATOM 249 CA PRO A 18 -12.027 6.777 2.799 1.00 0.38 C ATOM 250 C PRO A 18 -12.337 8.163 2.252 1.00 0.39 C ATOM 251 O PRO A 18 -12.590 9.095 3.016 1.00 0.46 O ATOM 252 CB PRO A 18 -13.169 6.302 3.711 1.00 0.49 C ATOM 253 CG PRO A 18 -12.563 6.065 5.062 1.00 0.57 C ATOM 254 CD PRO A 18 -11.239 6.775 5.081 1.00 0.43 C ATOM 0 HA PRO A 18 -11.876 6.141 1.927 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.959 7.051 3.766 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.622 5.389 3.323 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.215 6.444 5.849 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.431 4.998 5.244 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.327 7.785 5.482 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.507 6.250 5.695 1.00 0.43 H new ATOM 262 N VAL A 19 -12.372 8.282 0.934 1.00 0.40 N ATOM 263 CA VAL A 19 -12.739 9.537 0.299 1.00 0.45 C ATOM 264 C VAL A 19 -14.246 9.742 0.418 1.00 0.48 C ATOM 265 O VAL A 19 -15.026 8.927 -0.075 1.00 0.47 O ATOM 266 CB VAL A 19 -12.321 9.570 -1.188 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.484 10.966 -1.768 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.887 9.090 -1.352 1.00 0.52 C ATOM 0 H VAL A 19 -12.151 7.527 0.285 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.210 10.342 0.808 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.977 8.895 -1.738 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.183 10.962 -2.816 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.527 11.272 -1.691 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.859 11.666 -1.213 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.611 9.121 -2.406 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.219 9.737 -0.783 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.801 8.068 -0.984 1.00 0.52 H new ATOM 278 N PRO A 20 -14.676 10.764 1.173 1.00 0.58 N ATOM 279 CA PRO A 20 -16.099 10.990 1.472 1.00 0.69 C ATOM 280 C PRO A 20 -16.910 11.344 0.231 1.00 0.70 C ATOM 281 O PRO A 20 -18.141 11.317 0.249 1.00 1.27 O ATOM 282 CB PRO A 20 -16.083 12.169 2.453 1.00 0.84 C ATOM 283 CG PRO A 20 -14.695 12.212 2.994 1.00 0.97 C ATOM 284 CD PRO A 20 -13.811 11.716 1.888 1.00 0.67 C ATOM 0 HA PRO A 20 -16.571 10.093 1.872 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.338 13.102 1.951 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.812 12.027 3.251 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.421 13.225 3.289 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.601 11.585 3.881 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.482 12.528 1.239 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.913 11.234 2.275 1.00 0.67 H new ATOM 292 N SER A 21 -16.220 11.713 -0.832 1.00 0.80 N ATOM 293 CA SER A 21 -16.877 12.106 -2.064 1.00 0.85 C ATOM 294 C SER A 21 -17.098 10.904 -2.980 1.00 0.65 C ATOM 295 O SER A 21 -17.852 10.986 -3.948 1.00 0.69 O ATOM 296 CB SER A 21 -16.034 13.161 -2.772 1.00 1.07 C ATOM 297 OG SER A 21 -14.966 13.589 -1.937 1.00 1.49 O ATOM 0 H SER A 21 -15.201 11.749 -0.867 1.00 0.80 H new ATOM 0 HA SER A 21 -17.855 12.522 -1.820 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.636 12.753 -3.701 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.658 14.014 -3.040 1.00 1.07 H new ATOM 0 HG SER A 21 -14.434 14.265 -2.407 1.00 1.49 H new ATOM 303 N ASN A 22 -16.397 9.808 -2.707 1.00 0.55 N ATOM 304 CA ASN A 22 -16.467 8.636 -3.561 1.00 0.44 C ATOM 305 C ASN A 22 -16.731 7.364 -2.766 1.00 0.40 C ATOM 306 O ASN A 22 -15.878 6.906 -2.001 1.00 0.43 O ATOM 307 CB ASN A 22 -15.170 8.483 -4.341 1.00 0.57 C ATOM 308 CG ASN A 22 -15.345 7.574 -5.531 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.206 6.357 -5.422 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.659 8.161 -6.669 1.00 1.28 N ATOM 0 H ASN A 22 -15.777 9.711 -1.903 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.302 8.783 -4.246 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.828 9.462 -4.677 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.396 8.083 -3.687 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -15.798 7.601 -7.510 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -15.763 9.175 -6.708 1.00 1.28 H new ATOM 317 N PRO A 23 -17.883 6.728 -3.010 1.00 0.40 N ATOM 318 CA PRO A 23 -18.259 5.474 -2.351 1.00 0.43 C ATOM 319 C PRO A 23 -17.526 4.258 -2.919 1.00 0.48 C ATOM 320 O PRO A 23 -18.144 3.241 -3.239 1.00 0.98 O ATOM 321 CB PRO A 23 -19.756 5.374 -2.641 1.00 0.56 C ATOM 322 CG PRO A 23 -19.936 6.073 -3.943 1.00 0.70 C ATOM 323 CD PRO A 23 -18.905 7.169 -3.983 1.00 0.48 C ATOM 0 HA PRO A 23 -18.003 5.479 -1.291 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -20.079 4.335 -2.701 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.344 5.845 -1.854 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.802 5.383 -4.776 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.942 6.483 -4.028 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.483 7.285 -4.981 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.334 8.132 -3.704 1.00 0.48 H new ATOM 331 N ARG A 24 -16.212 4.374 -3.051 1.00 0.31 N ATOM 332 CA ARG A 24 -15.383 3.295 -3.589 1.00 0.27 C ATOM 333 C ARG A 24 -13.898 3.599 -3.415 1.00 0.26 C ATOM 334 O ARG A 24 -13.053 2.710 -3.539 1.00 0.31 O ATOM 335 CB ARG A 24 -15.682 3.079 -5.076 1.00 0.35 C ATOM 336 CG ARG A 24 -16.193 1.686 -5.401 1.00 0.37 C ATOM 337 CD ARG A 24 -16.725 1.606 -6.822 1.00 0.62 C ATOM 338 NE ARG A 24 -17.742 2.624 -7.091 1.00 1.27 N ATOM 339 CZ ARG A 24 -17.756 3.398 -8.179 1.00 2.02 C ATOM 340 NH1 ARG A 24 -16.814 3.265 -9.104 1.00 2.44 N ATOM 341 NH2 ARG A 24 -18.715 4.303 -8.340 1.00 2.86 N ATOM 0 H ARG A 24 -15.690 5.211 -2.791 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.624 2.389 -3.033 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.421 3.812 -5.399 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.775 3.267 -5.651 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.388 0.963 -5.271 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.982 1.414 -4.700 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.900 1.725 -7.524 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.149 0.617 -6.994 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.486 2.750 -6.405 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -16.077 2.570 -8.985 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -16.827 3.858 -9.934 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -19.442 4.407 -7.632 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -18.724 4.894 -9.172 1.00 2.86 H new ATOM 355 N ARG A 25 -13.576 4.878 -3.256 1.00 0.23 N ATOM 356 CA ARG A 25 -12.188 5.312 -3.231 1.00 0.26 C ATOM 357 C ARG A 25 -11.576 5.238 -1.834 1.00 0.24 C ATOM 358 O ARG A 25 -11.991 5.953 -0.917 1.00 0.24 O ATOM 359 CB ARG A 25 -12.080 6.739 -3.763 1.00 0.32 C ATOM 360 CG ARG A 25 -11.022 6.913 -4.839 1.00 0.51 C ATOM 361 CD ARG A 25 -11.214 8.217 -5.592 1.00 0.80 C ATOM 362 NE ARG A 25 -11.477 8.002 -7.014 1.00 1.32 N ATOM 363 CZ ARG A 25 -12.234 8.811 -7.755 1.00 1.71 C ATOM 364 NH1 ARG A 25 -12.739 9.919 -7.228 1.00 2.14 N ATOM 365 NH2 ARG A 25 -12.460 8.530 -9.030 1.00 2.31 N ATOM 0 H ARG A 25 -14.257 5.629 -3.143 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.627 4.629 -3.869 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.047 7.041 -4.165 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -11.856 7.410 -2.934 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.031 6.895 -4.385 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.068 6.077 -5.537 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.043 8.770 -5.151 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.323 8.834 -5.479 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.058 7.188 -7.464 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -12.548 10.153 -6.254 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -13.318 10.536 -7.797 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -12.054 7.692 -9.447 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -13.040 9.151 -9.594 1.00 2.31 H new ATOM 379 N LEU A 26 -10.491 4.485 -1.732 1.00 0.29 N ATOM 380 CA LEU A 26 -9.678 4.455 -0.530 1.00 0.35 C ATOM 381 C LEU A 26 -8.304 5.026 -0.847 1.00 0.39 C ATOM 382 O LEU A 26 -7.683 4.649 -1.841 1.00 0.44 O ATOM 383 CB LEU A 26 -9.523 3.031 0.006 1.00 0.44 C ATOM 384 CG LEU A 26 -10.707 2.494 0.807 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.357 1.148 1.421 1.00 0.46 C ATOM 386 CD2 LEU A 26 -11.109 3.481 1.890 1.00 0.43 C ATOM 0 H LEU A 26 -10.152 3.880 -2.479 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.174 5.052 0.235 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.344 2.363 -0.836 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.634 2.994 0.636 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.552 2.362 0.132 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -11.209 0.775 1.990 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.111 0.440 0.630 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.500 1.263 2.085 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.954 3.082 2.451 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -10.269 3.642 2.566 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.393 4.428 1.432 1.00 0.43 H new ATOM 398 N GLU A 27 -7.867 5.972 -0.046 1.00 0.41 N ATOM 399 CA GLU A 27 -6.591 6.626 -0.268 1.00 0.47 C ATOM 400 C GLU A 27 -5.556 6.097 0.712 1.00 0.41 C ATOM 401 O GLU A 27 -5.681 6.285 1.918 1.00 0.48 O ATOM 402 CB GLU A 27 -6.751 8.136 -0.116 1.00 0.51 C ATOM 403 CG GLU A 27 -5.470 8.924 -0.311 1.00 0.99 C ATOM 404 CD GLU A 27 -5.480 10.226 0.458 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.525 10.905 0.475 1.00 1.82 O ATOM 406 OE2 GLU A 27 -4.434 10.582 1.042 1.00 1.63 O ATOM 0 H GLU A 27 -8.378 6.309 0.770 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.249 6.411 -1.280 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.491 8.485 -0.836 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -7.147 8.349 0.877 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -4.621 8.320 0.010 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.330 9.131 -1.372 1.00 0.99 H new ATOM 413 N VAL A 28 -4.543 5.431 0.188 1.00 0.40 N ATOM 414 CA VAL A 28 -3.479 4.882 1.012 1.00 0.38 C ATOM 415 C VAL A 28 -2.244 5.763 0.930 1.00 0.35 C ATOM 416 O VAL A 28 -1.482 5.698 -0.038 1.00 0.42 O ATOM 417 CB VAL A 28 -3.097 3.441 0.606 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.287 2.489 1.778 1.00 0.61 C ATOM 419 CG2 VAL A 28 -3.897 2.974 -0.601 1.00 0.68 C ATOM 0 H VAL A 28 -4.434 5.256 -0.811 1.00 0.40 H new ATOM 0 HA VAL A 28 -3.858 4.853 2.033 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.044 3.441 0.325 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.013 1.479 1.474 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.654 2.803 2.608 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.330 2.503 2.093 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -3.604 1.957 -0.860 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -4.961 2.996 -0.363 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -3.701 3.635 -1.445 1.00 0.68 H new ATOM 429 N THR A 29 -2.080 6.612 1.920 1.00 0.31 N ATOM 430 CA THR A 29 -0.949 7.514 1.975 1.00 0.30 C ATOM 431 C THR A 29 0.097 6.974 2.941 1.00 0.28 C ATOM 432 O THR A 29 -0.248 6.464 4.008 1.00 0.31 O ATOM 433 CB THR A 29 -1.398 8.910 2.432 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.830 8.948 2.533 1.00 0.69 O ATOM 435 CG2 THR A 29 -0.920 9.983 1.467 1.00 0.59 C ATOM 0 H THR A 29 -2.723 6.697 2.707 1.00 0.31 H new ATOM 0 HA THR A 29 -0.517 7.591 0.977 1.00 0.30 H new ATOM 0 HB THR A 29 -0.956 9.110 3.408 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.187 9.586 1.881 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.253 10.961 1.816 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.169 9.967 1.415 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.333 9.792 0.477 1.00 0.59 H new ATOM 443 N TRP A 30 1.358 7.010 2.540 1.00 0.27 N ATOM 444 CA TRP A 30 2.423 6.476 3.373 1.00 0.28 C ATOM 445 C TRP A 30 3.661 7.360 3.322 1.00 0.27 C ATOM 446 O TRP A 30 3.616 8.494 2.841 1.00 0.33 O ATOM 447 CB TRP A 30 2.782 5.047 2.943 1.00 0.29 C ATOM 448 CG TRP A 30 3.046 4.903 1.476 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.143 5.346 0.795 1.00 0.40 C ATOM 450 CD2 TRP A 30 2.204 4.265 0.510 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.027 5.038 -0.536 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.847 4.371 -0.736 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.969 3.617 0.578 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.294 3.857 -1.904 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.422 3.105 -0.580 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.084 3.227 -1.806 1.00 0.46 C ATOM 0 H TRP A 30 1.667 7.400 1.650 1.00 0.27 H new ATOM 0 HA TRP A 30 2.059 6.456 4.400 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.665 4.723 3.495 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.968 4.378 3.223 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.980 5.864 1.240 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.708 5.268 -1.259 1.00 0.44 H new ATOM 0 HE3 TRP A 30 0.451 3.518 1.521 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.801 3.952 -2.853 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.533 2.602 -0.539 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.630 2.815 -2.695 1.00 0.46 H new ATOM 467 N GLN A 31 4.764 6.814 3.800 1.00 0.28 N ATOM 468 CA GLN A 31 6.042 7.492 3.803 1.00 0.29 C ATOM 469 C GLN A 31 7.147 6.447 3.897 1.00 0.29 C ATOM 470 O GLN A 31 6.881 5.290 4.233 1.00 0.29 O ATOM 471 CB GLN A 31 6.124 8.469 4.983 1.00 0.32 C ATOM 472 CG GLN A 31 6.359 9.910 4.564 1.00 0.64 C ATOM 473 CD GLN A 31 7.518 10.037 3.602 1.00 0.85 C ATOM 474 OE1 GLN A 31 8.675 9.859 3.983 1.00 1.65 O ATOM 475 NE2 GLN A 31 7.222 10.328 2.349 1.00 0.79 N ATOM 0 H GLN A 31 4.795 5.877 4.201 1.00 0.28 H new ATOM 0 HA GLN A 31 6.158 8.066 2.884 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.198 8.412 5.556 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.930 8.157 5.647 1.00 0.32 H new ATOM 0 HG2 GLN A 31 5.456 10.304 4.098 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.553 10.518 5.448 1.00 0.64 H new ATOM 0 HE21 GLN A 31 6.250 10.468 2.074 1.00 0.79 H new ATOM 0 HE22 GLN A 31 7.965 10.413 1.656 1.00 0.79 H new ATOM 484 N THR A 32 8.379 6.841 3.623 1.00 0.34 N ATOM 485 CA THR A 32 9.493 5.919 3.728 1.00 0.36 C ATOM 486 C THR A 32 9.894 5.759 5.188 1.00 0.41 C ATOM 487 O THR A 32 9.739 6.690 5.981 1.00 0.49 O ATOM 488 CB THR A 32 10.707 6.397 2.908 1.00 0.42 C ATOM 489 OG1 THR A 32 10.968 7.783 3.174 1.00 0.49 O ATOM 490 CG2 THR A 32 10.458 6.204 1.421 1.00 0.49 C ATOM 0 H THR A 32 8.630 7.785 3.329 1.00 0.34 H new ATOM 0 HA THR A 32 9.170 4.960 3.324 1.00 0.36 H new ATOM 0 HB THR A 32 11.572 5.803 3.201 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.742 8.077 2.649 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.327 6.547 0.859 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.287 5.147 1.215 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.582 6.779 1.121 1.00 0.49 H new ATOM 498 N PRO A 33 10.407 4.582 5.566 1.00 0.39 N ATOM 499 CA PRO A 33 10.859 4.321 6.935 1.00 0.46 C ATOM 500 C PRO A 33 11.891 5.353 7.386 1.00 0.56 C ATOM 501 O PRO A 33 12.708 5.808 6.585 1.00 0.60 O ATOM 502 CB PRO A 33 11.497 2.926 6.845 1.00 0.46 C ATOM 503 CG PRO A 33 11.753 2.716 5.390 1.00 0.42 C ATOM 504 CD PRO A 33 10.639 3.428 4.688 1.00 0.35 C ATOM 0 HA PRO A 33 10.047 4.377 7.660 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.421 2.876 7.420 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.832 2.160 7.244 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.723 3.119 5.099 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.761 1.655 5.141 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.922 3.733 3.681 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.751 2.803 4.594 1.00 0.35 H new ATOM 512 N SER A 34 11.833 5.737 8.653 1.00 0.66 N ATOM 513 CA SER A 34 12.742 6.744 9.195 1.00 0.80 C ATOM 514 C SER A 34 14.197 6.282 9.093 1.00 0.86 C ATOM 515 O SER A 34 15.117 7.096 9.022 1.00 0.96 O ATOM 516 CB SER A 34 12.383 7.044 10.649 1.00 0.92 C ATOM 517 OG SER A 34 10.973 7.092 10.828 1.00 1.02 O ATOM 0 H SER A 34 11.165 5.367 9.329 1.00 0.66 H new ATOM 0 HA SER A 34 12.635 7.655 8.606 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.809 6.279 11.298 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.823 7.996 10.947 1.00 0.92 H new ATOM 0 HG SER A 34 10.641 6.197 11.051 1.00 1.02 H new ATOM 523 N THR A 35 14.388 4.973 9.047 1.00 0.82 N ATOM 524 CA THR A 35 15.711 4.386 8.928 1.00 0.91 C ATOM 525 C THR A 35 16.281 4.579 7.523 1.00 0.92 C ATOM 526 O THR A 35 17.495 4.554 7.323 1.00 1.11 O ATOM 527 CB THR A 35 15.648 2.884 9.243 1.00 0.89 C ATOM 528 OG1 THR A 35 14.281 2.441 9.183 1.00 0.85 O ATOM 529 CG2 THR A 35 16.224 2.589 10.620 1.00 1.08 C ATOM 0 H THR A 35 13.632 4.290 9.091 1.00 0.82 H new ATOM 0 HA THR A 35 16.364 4.890 9.641 1.00 0.91 H new ATOM 0 HB THR A 35 16.244 2.349 8.504 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.239 1.482 9.382 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.167 1.518 10.817 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.265 2.909 10.655 1.00 1.08 H new ATOM 0 HG23 THR A 35 15.653 3.128 11.376 1.00 1.08 H new ATOM 537 N TRP A 36 15.392 4.761 6.556 1.00 0.80 N ATOM 538 CA TRP A 36 15.787 4.925 5.166 1.00 0.83 C ATOM 539 C TRP A 36 16.408 6.299 4.931 1.00 1.00 C ATOM 540 O TRP A 36 15.909 7.311 5.437 1.00 1.09 O ATOM 541 CB TRP A 36 14.566 4.740 4.257 1.00 0.74 C ATOM 542 CG TRP A 36 14.911 4.451 2.827 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.734 5.281 1.757 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.489 3.245 2.307 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.166 4.668 0.608 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.633 3.420 0.918 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.899 2.038 2.878 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.169 2.434 0.095 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.432 1.060 2.060 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.561 1.263 0.682 1.00 1.21 C ATOM 0 H TRP A 36 14.385 4.799 6.712 1.00 0.80 H new ATOM 0 HA TRP A 36 16.536 4.169 4.929 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.957 3.924 4.645 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.955 5.642 4.298 1.00 0.74 H new ATOM 0 HD1 TRP A 36 14.315 6.275 1.808 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.143 5.077 -0.326 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.801 1.872 3.941 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.272 2.588 -0.969 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.754 0.124 2.492 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.979 0.478 0.069 1.00 1.21 H new ATOM 561 N PRO A 37 17.504 6.350 4.153 1.00 1.20 N ATOM 562 CA PRO A 37 18.165 7.607 3.785 1.00 1.44 C ATOM 563 C PRO A 37 17.336 8.398 2.767 1.00 1.34 C ATOM 564 O PRO A 37 16.104 8.333 2.783 1.00 1.49 O ATOM 565 CB PRO A 37 19.487 7.135 3.174 1.00 1.76 C ATOM 566 CG PRO A 37 19.189 5.783 2.628 1.00 1.78 C ATOM 567 CD PRO A 37 18.178 5.179 3.558 1.00 1.34 C ATOM 0 HA PRO A 37 18.298 8.282 4.630 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.825 7.813 2.390 1.00 1.76 H new ATOM 0 HB3 PRO A 37 20.277 7.094 3.923 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.796 5.849 1.613 1.00 1.78 H new ATOM 0 HG3 PRO A 37 20.091 5.173 2.582 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.474 4.541 3.024 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.654 4.561 4.320 1.00 1.34 H new ATOM 575 N ASP A 38 17.997 9.126 1.870 1.00 1.33 N ATOM 576 CA ASP A 38 17.291 9.891 0.847 1.00 1.35 C ATOM 577 C ASP A 38 16.582 8.956 -0.136 1.00 1.29 C ATOM 578 O ASP A 38 17.212 8.099 -0.755 1.00 1.42 O ATOM 579 CB ASP A 38 18.253 10.807 0.092 1.00 1.65 C ATOM 580 CG ASP A 38 17.573 11.527 -1.050 1.00 1.90 C ATOM 581 OD1 ASP A 38 16.871 12.522 -0.794 1.00 2.28 O ATOM 582 OD2 ASP A 38 17.752 11.110 -2.212 1.00 2.16 O ATOM 0 H ASP A 38 19.013 9.202 1.831 1.00 1.33 H new ATOM 0 HA ASP A 38 16.544 10.507 1.348 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.674 11.538 0.782 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.085 10.219 -0.295 1.00 1.65 H new ATOM 587 N PRO A 39 15.245 9.057 -0.223 1.00 1.31 N ATOM 588 CA PRO A 39 14.428 8.151 -1.040 1.00 1.44 C ATOM 589 C PRO A 39 14.510 8.430 -2.542 1.00 1.61 C ATOM 590 O PRO A 39 13.951 7.684 -3.347 1.00 1.84 O ATOM 591 CB PRO A 39 13.007 8.399 -0.534 1.00 1.62 C ATOM 592 CG PRO A 39 13.033 9.782 0.014 1.00 1.69 C ATOM 593 CD PRO A 39 14.414 9.986 0.567 1.00 1.44 C ATOM 0 HA PRO A 39 14.770 7.121 -0.939 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.279 8.307 -1.340 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.728 7.675 0.232 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.813 10.513 -0.764 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.280 9.907 0.792 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.744 11.018 0.450 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.458 9.756 1.632 1.00 1.44 H new ATOM 601 N GLU A 40 15.225 9.477 -2.924 1.00 1.57 N ATOM 602 CA GLU A 40 15.400 9.792 -4.335 1.00 1.76 C ATOM 603 C GLU A 40 16.682 9.150 -4.851 1.00 1.76 C ATOM 604 O GLU A 40 16.678 8.468 -5.876 1.00 1.90 O ATOM 605 CB GLU A 40 15.422 11.307 -4.555 1.00 1.90 C ATOM 606 CG GLU A 40 14.094 11.987 -4.246 1.00 2.12 C ATOM 607 CD GLU A 40 12.894 11.203 -4.745 1.00 2.36 C ATOM 608 OE1 GLU A 40 12.869 10.829 -5.935 1.00 2.63 O ATOM 609 OE2 GLU A 40 11.960 10.959 -3.951 1.00 2.91 O ATOM 0 H GLU A 40 15.691 10.119 -2.283 1.00 1.57 H new ATOM 0 HA GLU A 40 14.556 9.388 -4.894 1.00 1.76 H new ATOM 0 HB2 GLU A 40 16.199 11.745 -3.929 1.00 1.90 H new ATOM 0 HB3 GLU A 40 15.693 11.512 -5.591 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.006 12.127 -3.169 1.00 2.12 H new ATOM 0 HG3 GLU A 40 14.086 12.979 -4.698 1.00 2.12 H new ATOM 616 N SER A 41 17.749 9.283 -4.076 1.00 1.67 N ATOM 617 CA SER A 41 19.013 8.633 -4.391 1.00 1.75 C ATOM 618 C SER A 41 18.898 7.127 -4.160 1.00 1.63 C ATOM 619 O SER A 41 19.429 6.326 -4.930 1.00 1.67 O ATOM 620 CB SER A 41 20.142 9.217 -3.539 1.00 1.82 C ATOM 621 OG SER A 41 20.013 10.628 -3.412 1.00 1.89 O ATOM 0 H SER A 41 17.764 9.838 -3.220 1.00 1.67 H new ATOM 0 HA SER A 41 19.247 8.812 -5.441 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.130 8.758 -2.551 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.104 8.976 -3.991 1.00 1.82 H new ATOM 0 HG SER A 41 19.339 10.835 -2.731 1.00 1.89 H new ATOM 627 N PHE A 42 18.113 6.756 -3.157 1.00 1.51 N ATOM 628 CA PHE A 42 17.814 5.358 -2.885 1.00 1.41 C ATOM 629 C PHE A 42 16.310 5.129 -3.024 1.00 1.27 C ATOM 630 O PHE A 42 15.555 5.325 -2.069 1.00 1.40 O ATOM 631 CB PHE A 42 18.279 4.970 -1.480 1.00 1.58 C ATOM 632 CG PHE A 42 19.760 4.759 -1.373 1.00 2.08 C ATOM 633 CD1 PHE A 42 20.322 3.536 -1.696 1.00 2.54 C ATOM 634 CD2 PHE A 42 20.591 5.784 -0.946 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.684 3.336 -1.595 1.00 3.12 C ATOM 636 CE2 PHE A 42 21.954 5.590 -0.844 1.00 3.01 C ATOM 637 CZ PHE A 42 22.502 4.364 -1.169 1.00 3.32 C ATOM 0 H PHE A 42 17.669 7.411 -2.514 1.00 1.51 H new ATOM 0 HA PHE A 42 18.346 4.734 -3.603 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.980 5.750 -0.780 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.768 4.056 -1.177 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.687 2.729 -2.031 1.00 2.54 H new ATOM 0 HD2 PHE A 42 20.167 6.744 -0.691 1.00 2.38 H new ATOM 0 HE1 PHE A 42 22.110 2.376 -1.849 1.00 3.12 H new ATOM 0 HE2 PHE A 42 22.591 6.396 -0.511 1.00 3.01 H new ATOM 0 HZ PHE A 42 23.568 4.210 -1.090 1.00 3.32 H new ATOM 647 N PRO A 43 15.846 4.825 -4.245 1.00 1.24 N ATOM 648 CA PRO A 43 14.418 4.686 -4.538 1.00 1.33 C ATOM 649 C PRO A 43 13.787 3.507 -3.813 1.00 1.26 C ATOM 650 O PRO A 43 14.337 2.400 -3.798 1.00 1.97 O ATOM 651 CB PRO A 43 14.369 4.473 -6.056 1.00 1.58 C ATOM 652 CG PRO A 43 15.685 4.959 -6.556 1.00 1.75 C ATOM 653 CD PRO A 43 16.665 4.682 -5.456 1.00 1.40 C ATOM 0 HA PRO A 43 13.855 5.558 -4.205 1.00 1.33 H new ATOM 0 HB2 PRO A 43 14.217 3.422 -6.302 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.546 5.028 -6.506 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.970 4.443 -7.473 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.647 6.023 -6.787 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.094 3.683 -5.539 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.496 5.387 -5.468 1.00 1.40 H new ATOM 661 N LEU A 44 12.622 3.749 -3.235 1.00 0.98 N ATOM 662 CA LEU A 44 11.894 2.717 -2.527 1.00 0.82 C ATOM 663 C LEU A 44 10.704 2.248 -3.350 1.00 0.78 C ATOM 664 O LEU A 44 9.732 2.984 -3.533 1.00 0.98 O ATOM 665 CB LEU A 44 11.423 3.233 -1.166 1.00 0.83 C ATOM 666 CG LEU A 44 11.536 2.224 -0.023 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.859 2.927 1.283 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.251 1.426 0.110 1.00 1.29 C ATOM 0 H LEU A 44 12.160 4.658 -3.244 1.00 0.98 H new ATOM 0 HA LEU A 44 12.563 1.872 -2.367 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.004 4.119 -0.908 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.383 3.548 -1.253 1.00 0.83 H new ATOM 0 HG LEU A 44 12.350 1.536 -0.253 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.935 2.191 2.083 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.807 3.457 1.186 1.00 1.54 H new ATOM 0 HD13 LEU A 44 11.068 3.639 1.519 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.349 0.713 0.928 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.422 2.103 0.316 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.059 0.889 -0.819 1.00 1.29 H new ATOM 680 N LYS A 45 10.776 1.010 -3.810 1.00 0.70 N ATOM 681 CA LYS A 45 9.694 0.410 -4.565 1.00 0.68 C ATOM 682 C LYS A 45 8.624 -0.103 -3.614 1.00 0.60 C ATOM 683 O LYS A 45 8.923 -0.821 -2.659 1.00 0.76 O ATOM 684 CB LYS A 45 10.225 -0.737 -5.429 1.00 0.78 C ATOM 685 CG LYS A 45 9.284 -1.150 -6.544 1.00 1.13 C ATOM 686 CD LYS A 45 10.011 -1.925 -7.628 1.00 1.25 C ATOM 687 CE LYS A 45 9.338 -1.765 -8.978 1.00 1.41 C ATOM 688 NZ LYS A 45 10.331 -1.598 -10.073 1.00 1.75 N ATOM 0 H LYS A 45 11.580 0.398 -3.671 1.00 0.70 H new ATOM 0 HA LYS A 45 9.257 1.165 -5.218 1.00 0.68 H new ATOM 0 HB2 LYS A 45 11.180 -0.440 -5.863 1.00 0.78 H new ATOM 0 HB3 LYS A 45 10.419 -1.600 -4.792 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.480 -1.762 -6.135 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.821 -0.264 -6.978 1.00 1.13 H new ATOM 0 HD2 LYS A 45 11.043 -1.580 -7.692 1.00 1.25 H new ATOM 0 HD3 LYS A 45 10.044 -2.981 -7.361 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.717 -2.638 -9.180 1.00 1.41 H new ATOM 0 HE3 LYS A 45 8.675 -0.900 -8.954 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.862 -1.195 -10.909 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 11.089 -0.959 -9.760 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 10.737 -2.524 -10.317 1.00 1.75 H new ATOM 702 N PHE A 46 7.386 0.284 -3.866 1.00 0.46 N ATOM 703 CA PHE A 46 6.271 -0.124 -3.033 1.00 0.41 C ATOM 704 C PHE A 46 5.374 -1.086 -3.793 1.00 0.44 C ATOM 705 O PHE A 46 5.200 -0.960 -5.006 1.00 0.58 O ATOM 706 CB PHE A 46 5.458 1.097 -2.596 1.00 0.42 C ATOM 707 CG PHE A 46 6.114 1.909 -1.515 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.090 1.485 -0.197 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.760 3.095 -1.822 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.697 2.230 0.796 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.368 3.842 -0.835 1.00 0.48 C ATOM 712 CZ PHE A 46 7.312 3.414 0.489 1.00 0.47 C ATOM 0 H PHE A 46 7.127 0.886 -4.648 1.00 0.46 H new ATOM 0 HA PHE A 46 6.666 -0.624 -2.149 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.285 1.735 -3.462 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.481 0.764 -2.245 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.591 0.562 0.058 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.788 3.439 -2.846 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.686 1.877 1.817 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.886 4.756 -1.088 1.00 0.48 H new ATOM 0 HZ PHE A 46 7.752 4.014 1.271 1.00 0.47 H new ATOM 722 N PHE A 47 4.760 -2.006 -3.071 1.00 0.40 N ATOM 723 CA PHE A 47 3.809 -2.934 -3.665 1.00 0.44 C ATOM 724 C PHE A 47 2.547 -2.965 -2.824 1.00 0.39 C ATOM 725 O PHE A 47 2.605 -2.747 -1.615 1.00 0.59 O ATOM 726 CB PHE A 47 4.402 -4.342 -3.768 1.00 0.55 C ATOM 727 CG PHE A 47 5.780 -4.378 -4.358 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.969 -4.205 -5.719 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.887 -4.582 -3.552 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.236 -4.235 -6.264 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.155 -4.612 -4.091 1.00 0.75 C ATOM 732 CZ PHE A 47 8.331 -4.439 -5.449 1.00 0.73 C ATOM 0 H PHE A 47 4.902 -2.132 -2.069 1.00 0.40 H new ATOM 0 HA PHE A 47 3.574 -2.593 -4.673 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.431 -4.787 -2.773 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.741 -4.961 -4.375 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.115 -4.045 -6.361 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.755 -4.719 -2.489 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.371 -4.099 -7.327 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.010 -4.771 -3.451 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.324 -4.463 -5.873 1.00 0.73 H new ATOM 742 N LEU A 48 1.406 -3.111 -3.476 1.00 0.33 N ATOM 743 CA LEU A 48 0.132 -3.017 -2.782 1.00 0.35 C ATOM 744 C LEU A 48 -0.770 -4.210 -3.078 1.00 0.35 C ATOM 745 O LEU A 48 -0.966 -4.581 -4.239 1.00 0.57 O ATOM 746 CB LEU A 48 -0.576 -1.726 -3.189 1.00 0.44 C ATOM 747 CG LEU A 48 -1.684 -1.263 -2.248 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.281 0.021 -1.542 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.979 -1.066 -3.018 1.00 1.05 C ATOM 0 H LEU A 48 1.335 -3.294 -4.477 1.00 0.33 H new ATOM 0 HA LEU A 48 0.336 -3.015 -1.711 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.167 -0.933 -3.266 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -1.001 -1.862 -4.184 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.844 -2.032 -1.493 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.083 0.337 -0.875 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.374 -0.152 -0.963 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.096 0.800 -2.281 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.762 -0.736 -2.335 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.831 -0.313 -3.792 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -3.274 -2.008 -3.480 1.00 1.05 H new ATOM 761 N ARG A 49 -1.426 -4.702 -2.034 1.00 0.26 N ATOM 762 CA ARG A 49 -2.462 -5.716 -2.174 1.00 0.27 C ATOM 763 C ARG A 49 -3.680 -5.294 -1.369 1.00 0.24 C ATOM 764 O ARG A 49 -3.551 -4.899 -0.215 1.00 0.30 O ATOM 765 CB ARG A 49 -1.982 -7.097 -1.704 1.00 0.34 C ATOM 766 CG ARG A 49 -1.135 -7.073 -0.442 1.00 0.44 C ATOM 767 CD ARG A 49 -0.992 -8.464 0.166 1.00 0.75 C ATOM 768 NE ARG A 49 -0.619 -9.466 -0.833 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.432 -10.761 -0.571 1.00 1.28 C ATOM 770 NH1 ARG A 49 -0.610 -11.239 0.654 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.059 -11.578 -1.545 1.00 2.02 N ATOM 0 H ARG A 49 -1.256 -4.411 -1.071 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.714 -5.801 -3.231 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.852 -7.731 -1.531 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.405 -7.559 -2.505 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.148 -6.674 -0.674 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.587 -6.401 0.288 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.238 -8.439 0.953 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -1.933 -8.753 0.635 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.493 -9.153 -1.796 1.00 1.07 H new ATOM 0 HH11 ARG A 49 -0.893 -10.614 1.409 1.00 1.64 H new ATOM 0 HH12 ARG A 49 -0.464 -12.231 0.841 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.083 -11.216 -2.488 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.086 -12.569 -1.352 1.00 2.02 H new ATOM 785 N TYR A 50 -4.846 -5.308 -1.992 1.00 0.26 N ATOM 786 CA TYR A 50 -6.053 -4.848 -1.326 1.00 0.27 C ATOM 787 C TYR A 50 -7.166 -5.893 -1.419 1.00 0.28 C ATOM 788 O TYR A 50 -7.910 -5.949 -2.394 1.00 0.36 O ATOM 789 CB TYR A 50 -6.513 -3.497 -1.901 1.00 0.35 C ATOM 790 CG TYR A 50 -6.601 -3.441 -3.417 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.461 -3.352 -4.209 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.835 -3.465 -4.052 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.553 -3.293 -5.587 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.935 -3.406 -5.426 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.793 -3.321 -6.190 1.00 0.90 C ATOM 796 OH TYR A 50 -6.893 -3.266 -7.563 1.00 1.13 O ATOM 0 H TYR A 50 -4.983 -5.630 -2.950 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.821 -4.704 -0.271 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.492 -3.257 -1.486 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.825 -2.722 -1.563 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.489 -3.329 -3.740 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.735 -3.531 -3.458 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.658 -3.225 -6.188 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.905 -3.426 -5.901 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.813 -3.041 -7.815 1.00 1.13 H new ATOM 806 N ARG A 51 -7.214 -6.772 -0.432 1.00 0.29 N ATOM 807 CA ARG A 51 -8.196 -7.851 -0.409 1.00 0.34 C ATOM 808 C ARG A 51 -9.449 -7.450 0.364 1.00 0.29 C ATOM 809 O ARG A 51 -9.369 -7.066 1.530 1.00 0.33 O ATOM 810 CB ARG A 51 -7.572 -9.106 0.212 1.00 0.46 C ATOM 811 CG ARG A 51 -8.557 -10.214 0.536 1.00 0.64 C ATOM 812 CD ARG A 51 -8.063 -11.059 1.701 1.00 1.25 C ATOM 813 NE ARG A 51 -9.147 -11.419 2.612 1.00 1.72 N ATOM 814 CZ ARG A 51 -9.021 -11.475 3.937 1.00 2.29 C ATOM 815 NH1 ARG A 51 -7.846 -11.232 4.508 1.00 2.62 N ATOM 816 NH2 ARG A 51 -10.070 -11.780 4.692 1.00 3.10 N ATOM 0 H ARG A 51 -6.583 -6.762 0.369 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.493 -8.062 -1.436 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.819 -9.497 -0.473 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.053 -8.822 1.127 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.528 -9.783 0.781 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.701 -10.845 -0.341 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.594 -11.966 1.319 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -7.296 -10.510 2.248 1.00 1.25 H new ATOM 0 HE ARG A 51 -10.057 -11.641 2.208 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.037 -11.002 3.931 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -7.753 -11.276 5.523 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -10.973 -11.972 4.257 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -9.973 -11.823 5.706 1.00 3.10 H new ATOM 830 N PRO A 52 -10.633 -7.640 -0.231 1.00 0.32 N ATOM 831 CA PRO A 52 -11.892 -7.458 0.484 1.00 0.38 C ATOM 832 C PRO A 52 -12.053 -8.532 1.558 1.00 0.44 C ATOM 833 O PRO A 52 -11.717 -9.693 1.329 1.00 0.51 O ATOM 834 CB PRO A 52 -12.957 -7.609 -0.603 1.00 0.52 C ATOM 835 CG PRO A 52 -12.309 -8.407 -1.684 1.00 0.65 C ATOM 836 CD PRO A 52 -10.829 -8.140 -1.601 1.00 0.45 C ATOM 0 HA PRO A 52 -11.955 -6.499 0.999 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.842 -8.115 -0.218 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.281 -6.636 -0.973 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.517 -9.469 -1.557 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.698 -8.121 -2.661 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.249 -9.045 -1.782 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.514 -7.406 -2.343 1.00 0.45 H new ATOM 844 N LEU A 53 -12.415 -8.115 2.765 1.00 0.50 N ATOM 845 CA LEU A 53 -12.440 -9.015 3.920 1.00 0.65 C ATOM 846 C LEU A 53 -13.245 -10.294 3.663 1.00 0.81 C ATOM 847 O LEU A 53 -12.903 -11.363 4.171 1.00 1.22 O ATOM 848 CB LEU A 53 -13.006 -8.282 5.137 1.00 0.70 C ATOM 849 CG LEU A 53 -12.021 -8.087 6.289 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.085 -6.925 6.002 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.767 -7.864 7.594 1.00 1.40 C ATOM 0 H LEU A 53 -12.697 -7.157 2.974 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.410 -9.319 4.108 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.367 -7.304 4.818 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.869 -8.835 5.507 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.421 -8.992 6.386 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.391 -6.802 6.834 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.525 -7.126 5.089 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.667 -6.012 5.877 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.050 -7.727 8.404 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.392 -6.975 7.508 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.394 -8.730 7.807 1.00 1.40 H new ATOM 863 N ILE A 54 -14.316 -10.182 2.889 1.00 0.85 N ATOM 864 CA ILE A 54 -15.187 -11.325 2.625 1.00 1.01 C ATOM 865 C ILE A 54 -14.670 -12.185 1.475 1.00 1.08 C ATOM 866 O ILE A 54 -15.238 -13.233 1.175 1.00 1.34 O ATOM 867 CB ILE A 54 -16.629 -10.879 2.304 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.639 -9.865 1.158 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.292 -10.295 3.541 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.687 -10.156 0.107 1.00 1.46 C ATOM 0 H ILE A 54 -14.604 -9.316 2.433 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.187 -11.919 3.539 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.197 -11.754 1.989 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.811 -8.869 1.566 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.656 -9.851 0.686 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.308 -9.985 3.297 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.321 -11.048 4.328 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.723 -9.432 3.886 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.638 -9.398 -0.675 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.503 -11.139 -0.328 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.676 -10.141 0.565 1.00 1.46 H new ATOM 882 N LEU A 55 -13.601 -11.746 0.830 1.00 0.95 N ATOM 883 CA LEU A 55 -13.046 -12.488 -0.291 1.00 1.10 C ATOM 884 C LEU A 55 -11.593 -12.852 -0.036 1.00 1.12 C ATOM 885 O LEU A 55 -11.020 -12.476 0.985 1.00 1.51 O ATOM 886 CB LEU A 55 -13.148 -11.663 -1.572 1.00 1.25 C ATOM 887 CG LEU A 55 -14.174 -12.156 -2.588 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.328 -11.176 -2.685 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.523 -12.350 -3.948 1.00 2.11 C ATOM 0 H LEU A 55 -13.103 -10.886 1.061 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.621 -13.407 -0.404 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.392 -10.635 -1.304 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.169 -11.643 -2.050 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.563 -13.118 -2.253 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.053 -11.539 -3.413 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.808 -11.081 -1.711 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -14.953 -10.202 -3.001 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.268 -12.702 -4.661 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.110 -11.402 -4.292 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -12.723 -13.086 -3.867 1.00 2.11 H new ATOM 901 N ASP A 56 -10.992 -13.524 -1.003 1.00 1.38 N ATOM 902 CA ASP A 56 -9.582 -13.880 -0.949 1.00 1.54 C ATOM 903 C ASP A 56 -8.919 -13.451 -2.249 1.00 1.19 C ATOM 904 O ASP A 56 -8.356 -14.263 -2.985 1.00 1.44 O ATOM 905 CB ASP A 56 -9.413 -15.387 -0.726 1.00 2.08 C ATOM 906 CG ASP A 56 -8.005 -15.774 -0.307 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.124 -14.891 -0.225 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.770 -16.976 -0.060 1.00 2.89 O ATOM 0 H ASP A 56 -11.467 -13.839 -1.849 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.108 -13.368 -0.112 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -10.116 -15.716 0.039 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.670 -15.915 -1.644 1.00 2.08 H new ATOM 913 N GLN A 57 -9.103 -12.185 -2.581 1.00 0.83 N ATOM 914 CA GLN A 57 -8.619 -11.638 -3.836 1.00 0.93 C ATOM 915 C GLN A 57 -7.434 -10.720 -3.587 1.00 0.79 C ATOM 916 O GLN A 57 -7.602 -9.553 -3.237 1.00 0.82 O ATOM 917 CB GLN A 57 -9.741 -10.874 -4.540 1.00 1.30 C ATOM 918 CG GLN A 57 -9.495 -10.657 -6.022 1.00 1.81 C ATOM 919 CD GLN A 57 -10.104 -11.747 -6.880 1.00 2.19 C ATOM 920 OE1 GLN A 57 -9.391 -12.512 -7.531 1.00 2.89 O ATOM 921 NE2 GLN A 57 -11.426 -11.818 -6.901 1.00 2.43 N ATOM 0 H GLN A 57 -9.590 -11.510 -1.991 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.295 -12.458 -4.477 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.676 -11.420 -4.412 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.868 -9.906 -4.056 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.909 -9.693 -6.318 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -8.421 -10.613 -6.206 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.981 -11.165 -6.347 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.890 -12.525 -7.471 1.00 2.43 H new ATOM 930 N TRP A 58 -6.242 -11.269 -3.713 1.00 0.73 N ATOM 931 CA TRP A 58 -5.034 -10.515 -3.482 1.00 0.63 C ATOM 932 C TRP A 58 -4.544 -9.879 -4.769 1.00 0.67 C ATOM 933 O TRP A 58 -4.629 -10.477 -5.841 1.00 0.76 O ATOM 934 CB TRP A 58 -3.958 -11.410 -2.877 1.00 0.71 C ATOM 935 CG TRP A 58 -4.040 -11.459 -1.387 1.00 0.70 C ATOM 936 CD1 TRP A 58 -4.006 -12.559 -0.584 1.00 0.85 C ATOM 937 CD2 TRP A 58 -4.193 -10.338 -0.528 1.00 0.57 C ATOM 938 NE1 TRP A 58 -4.102 -12.177 0.735 1.00 0.84 N ATOM 939 CE2 TRP A 58 -4.218 -10.813 0.790 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.295 -8.971 -0.758 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -4.349 -9.957 1.881 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.425 -8.126 0.316 1.00 0.39 C ATOM 943 CH2 TRP A 58 -4.446 -8.617 1.617 1.00 0.49 C ATOM 0 H TRP A 58 -6.088 -12.242 -3.976 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.255 -9.716 -2.774 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.058 -12.418 -3.278 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.975 -11.045 -3.174 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.917 -13.578 -0.930 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -4.089 -12.805 1.538 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.272 -8.580 -1.765 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -4.373 -10.334 2.893 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.512 -7.063 0.148 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.541 -7.924 2.440 1.00 0.49 H new ATOM 954 N GLN A 59 -4.043 -8.662 -4.661 1.00 0.70 N ATOM 955 CA GLN A 59 -3.554 -7.943 -5.830 1.00 0.79 C ATOM 956 C GLN A 59 -2.085 -7.592 -5.662 1.00 0.95 C ATOM 957 O GLN A 59 -1.571 -7.579 -4.551 1.00 1.64 O ATOM 958 CB GLN A 59 -4.375 -6.672 -6.054 1.00 1.06 C ATOM 959 CG GLN A 59 -4.682 -6.391 -7.516 1.00 1.36 C ATOM 960 CD GLN A 59 -6.047 -6.904 -7.940 1.00 1.68 C ATOM 961 OE1 GLN A 59 -6.279 -8.111 -8.013 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.962 -5.992 -8.217 1.00 2.14 N ATOM 0 H GLN A 59 -3.963 -8.150 -3.782 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.661 -8.589 -6.701 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.313 -6.755 -5.505 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.834 -5.823 -5.636 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -4.632 -5.317 -7.693 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -3.916 -6.853 -8.139 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -6.732 -5.001 -8.145 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.898 -6.279 -8.503 1.00 2.14 H new ATOM 971 N HIS A 60 -1.405 -7.332 -6.763 1.00 0.80 N ATOM 972 CA HIS A 60 0.002 -6.965 -6.716 1.00 1.11 C ATOM 973 C HIS A 60 0.263 -5.769 -7.615 1.00 0.88 C ATOM 974 O HIS A 60 0.597 -5.921 -8.790 1.00 1.12 O ATOM 975 CB HIS A 60 0.888 -8.140 -7.140 1.00 1.75 C ATOM 976 CG HIS A 60 2.225 -8.158 -6.462 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.727 -8.992 -5.520 1.00 2.49 N flip ATOM 978 CD2 HIS A 60 3.221 -7.238 -6.723 1.00 2.11 C flip ATOM 979 CE1 HIS A 60 3.997 -8.562 -5.234 1.00 2.81 C flip ATOM 980 NE2 HIS A 60 4.271 -7.506 -5.971 1.00 2.58 N flip ATOM 0 H HIS A 60 -1.802 -7.368 -7.702 1.00 0.80 H new ATOM 0 HA HIS A 60 0.249 -6.700 -5.688 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.368 -9.073 -6.924 1.00 1.75 H new ATOM 0 HB3 HIS A 60 1.037 -8.101 -8.219 1.00 1.75 H new ATOM 0 HD1 HIS A 60 2.250 -9.790 -5.102 1.00 2.49 H new ATOM 0 HD2 HIS A 60 3.151 -6.426 -7.432 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.666 -9.017 -4.518 1.00 2.81 H new ATOM 989 N VAL A 61 0.034 -4.583 -7.079 1.00 0.60 N ATOM 990 CA VAL A 61 0.178 -3.359 -7.851 1.00 0.59 C ATOM 991 C VAL A 61 1.220 -2.444 -7.250 1.00 0.51 C ATOM 992 O VAL A 61 2.241 -2.897 -6.727 1.00 0.55 O ATOM 993 CB VAL A 61 -1.149 -2.573 -7.948 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.509 -2.325 -9.400 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.280 -3.288 -7.219 1.00 1.48 C ATOM 0 H VAL A 61 -0.253 -4.440 -6.111 1.00 0.60 H new ATOM 0 HA VAL A 61 0.487 -3.673 -8.848 1.00 0.59 H new ATOM 0 HB VAL A 61 -1.006 -1.611 -7.456 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.446 -1.770 -9.453 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -0.718 -1.747 -9.877 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.622 -3.279 -9.915 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -3.197 -2.705 -7.309 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.431 -4.273 -7.660 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.022 -3.398 -6.166 1.00 1.48 H new ATOM 1005 N GLU A 62 0.921 -1.158 -7.347 1.00 0.81 N ATOM 1006 CA GLU A 62 1.753 -0.084 -6.855 1.00 1.05 C ATOM 1007 C GLU A 62 2.835 0.283 -7.867 1.00 0.71 C ATOM 1008 O GLU A 62 2.536 0.428 -9.055 1.00 0.80 O ATOM 1009 CB GLU A 62 2.310 -0.390 -5.463 1.00 1.61 C ATOM 1010 CG GLU A 62 1.924 0.651 -4.429 1.00 2.42 C ATOM 1011 CD GLU A 62 0.728 1.475 -4.862 1.00 3.17 C ATOM 1012 OE1 GLU A 62 -0.402 0.966 -4.781 1.00 3.60 O ATOM 1013 OE2 GLU A 62 0.917 2.626 -5.311 1.00 3.63 O ATOM 0 H GLU A 62 0.062 -0.828 -7.786 1.00 0.81 H new ATOM 0 HA GLU A 62 1.127 0.801 -6.737 1.00 1.05 H new ATOM 0 HB2 GLU A 62 1.949 -1.367 -5.140 1.00 1.61 H new ATOM 0 HB3 GLU A 62 3.397 -0.454 -5.518 1.00 1.61 H new ATOM 0 HG2 GLU A 62 1.699 0.156 -3.485 1.00 2.42 H new ATOM 0 HG3 GLU A 62 2.772 1.312 -4.248 1.00 2.42 H new ATOM 1020 N LEU A 63 3.990 0.708 -7.379 1.00 0.61 N ATOM 1021 CA LEU A 63 4.933 1.418 -8.232 1.00 0.71 C ATOM 1022 C LEU A 63 6.378 1.251 -7.781 1.00 0.75 C ATOM 1023 O LEU A 63 6.658 0.646 -6.751 1.00 0.94 O ATOM 1024 CB LEU A 63 4.570 2.906 -8.225 1.00 0.97 C ATOM 1025 CG LEU A 63 3.526 3.301 -7.178 1.00 0.92 C ATOM 1026 CD1 LEU A 63 4.184 3.551 -5.828 1.00 1.33 C ATOM 1027 CD2 LEU A 63 2.755 4.527 -7.638 1.00 1.18 C ATOM 0 H LEU A 63 4.295 0.578 -6.414 1.00 0.61 H new ATOM 0 HA LEU A 63 4.860 0.995 -9.234 1.00 0.71 H new ATOM 0 HB2 LEU A 63 5.476 3.487 -8.053 1.00 0.97 H new ATOM 0 HB3 LEU A 63 4.198 3.181 -9.212 1.00 0.97 H new ATOM 0 HG LEU A 63 2.823 2.476 -7.062 1.00 0.92 H new ATOM 0 HD11 LEU A 63 3.424 3.830 -5.099 1.00 1.33 H new ATOM 0 HD12 LEU A 63 4.689 2.644 -5.496 1.00 1.33 H new ATOM 0 HD13 LEU A 63 4.911 4.358 -5.921 1.00 1.33 H new ATOM 0 HD21 LEU A 63 2.016 4.796 -6.883 1.00 1.18 H new ATOM 0 HD22 LEU A 63 3.445 5.358 -7.783 1.00 1.18 H new ATOM 0 HD23 LEU A 63 2.250 4.307 -8.578 1.00 1.18 H new ATOM 1039 N SER A 64 7.277 1.881 -8.521 1.00 0.78 N ATOM 1040 CA SER A 64 8.694 1.866 -8.194 1.00 0.89 C ATOM 1041 C SER A 64 9.056 3.028 -7.275 1.00 0.82 C ATOM 1042 O SER A 64 10.111 3.025 -6.642 1.00 1.57 O ATOM 1043 CB SER A 64 9.519 1.927 -9.477 1.00 1.13 C ATOM 1044 OG SER A 64 8.962 1.089 -10.476 1.00 1.36 O ATOM 0 H SER A 64 7.047 2.414 -9.360 1.00 0.78 H new ATOM 0 HA SER A 64 8.918 0.939 -7.666 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.560 2.954 -9.839 1.00 1.13 H new ATOM 0 HB3 SER A 64 10.544 1.621 -9.270 1.00 1.13 H new ATOM 0 HG SER A 64 9.505 1.145 -11.290 1.00 1.36 H new ATOM 1050 N ASN A 65 8.154 3.998 -7.184 1.00 1.03 N ATOM 1051 CA ASN A 65 8.328 5.151 -6.315 1.00 0.94 C ATOM 1052 C ASN A 65 7.038 5.959 -6.274 1.00 0.82 C ATOM 1053 O ASN A 65 6.491 6.339 -7.310 1.00 1.16 O ATOM 1054 CB ASN A 65 9.514 6.029 -6.762 1.00 1.03 C ATOM 1055 CG ASN A 65 9.355 6.603 -8.157 1.00 1.41 C ATOM 1056 OD1 ASN A 65 8.788 7.680 -8.337 1.00 2.04 O ATOM 1057 ND2 ASN A 65 9.865 5.896 -9.154 1.00 1.97 N ATOM 0 H ASN A 65 7.281 4.005 -7.712 1.00 1.03 H new ATOM 0 HA ASN A 65 8.558 4.793 -5.312 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.636 6.848 -6.053 1.00 1.03 H new ATOM 0 HB3 ASN A 65 10.428 5.436 -6.724 1.00 1.03 H new ATOM 0 HD21 ASN A 65 9.795 6.240 -10.112 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.328 5.007 -8.964 1.00 1.97 H new ATOM 1064 N GLY A 66 6.490 6.090 -5.082 1.00 0.69 N ATOM 1065 CA GLY A 66 5.220 6.764 -4.897 1.00 0.66 C ATOM 1066 C GLY A 66 4.884 6.894 -3.430 1.00 0.61 C ATOM 1067 O GLY A 66 5.504 6.230 -2.598 1.00 0.87 O ATOM 0 H GLY A 66 6.908 5.736 -4.222 1.00 0.69 H new ATOM 0 HA2 GLY A 66 5.259 7.753 -5.354 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.432 6.209 -5.406 1.00 0.66 H new ATOM 1071 N THR A 67 4.007 7.823 -3.087 1.00 0.40 N ATOM 1072 CA THR A 67 3.739 8.106 -1.685 1.00 0.41 C ATOM 1073 C THR A 67 2.245 8.116 -1.357 1.00 0.36 C ATOM 1074 O THR A 67 1.861 7.906 -0.206 1.00 0.39 O ATOM 1075 CB THR A 67 4.359 9.455 -1.281 1.00 0.57 C ATOM 1076 OG1 THR A 67 5.253 9.907 -2.311 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.116 9.329 0.030 1.00 0.70 C ATOM 0 H THR A 67 3.475 8.388 -3.749 1.00 0.40 H new ATOM 0 HA THR A 67 4.196 7.298 -1.114 1.00 0.41 H new ATOM 0 HB THR A 67 3.554 10.178 -1.150 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.644 10.767 -2.050 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.546 10.295 0.296 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.432 9.007 0.816 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.914 8.594 -0.080 1.00 0.70 H new ATOM 1085 N ALA A 68 1.405 8.384 -2.348 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.034 8.455 -2.115 1.00 0.47 C ATOM 1087 C ALA A 68 -0.804 7.662 -3.160 1.00 0.47 C ATOM 1088 O ALA A 68 -1.049 8.149 -4.264 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.498 9.907 -2.103 1.00 0.59 C ATOM 0 H ALA A 68 1.690 8.555 -3.312 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.238 8.011 -1.141 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.573 9.944 -1.928 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.017 10.447 -1.309 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.270 10.370 -3.063 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.230 6.462 -2.794 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.032 5.642 -3.691 1.00 0.45 C ATOM 1097 C HIS A 69 -3.515 5.900 -3.473 1.00 0.40 C ATOM 1098 O HIS A 69 -3.977 5.972 -2.341 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.736 4.152 -3.500 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.355 3.281 -4.557 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -3.138 2.182 -4.456 1.00 1.03 N flip ATOM 1102 CD2 HIS A 69 -2.210 3.519 -5.904 1.00 0.65 C flip ATOM 1103 CE1 HIS A 69 -3.449 1.782 -5.734 1.00 1.03 C flip ATOM 1104 NE2 HIS A 69 -2.876 2.607 -6.586 1.00 0.75 N flip ATOM 0 H HIS A 69 -1.035 6.036 -1.888 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.766 5.919 -4.711 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.657 4.000 -3.501 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.101 3.839 -2.522 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -1.639 4.327 -6.336 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -4.062 0.932 -5.996 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -2.937 2.550 -7.603 1.00 0.75 H new ATOM 1113 N THR A 70 -4.273 5.925 -4.552 1.00 0.41 N ATOM 1114 CA THR A 70 -5.717 6.048 -4.456 1.00 0.44 C ATOM 1115 C THR A 70 -6.391 4.883 -5.174 1.00 0.47 C ATOM 1116 O THR A 70 -6.067 4.589 -6.323 1.00 0.72 O ATOM 1117 CB THR A 70 -6.202 7.382 -5.050 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.194 8.387 -4.871 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.495 7.829 -4.385 1.00 0.84 C ATOM 0 H THR A 70 -3.915 5.862 -5.505 1.00 0.41 H new ATOM 0 HA THR A 70 -5.988 6.027 -3.401 1.00 0.44 H new ATOM 0 HB THR A 70 -6.390 7.239 -6.114 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.506 9.234 -5.252 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.820 8.774 -4.820 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.265 7.074 -4.542 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.328 7.960 -3.316 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.241 4.158 -4.463 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.894 2.985 -5.029 1.00 0.44 C ATOM 1129 C ILE A 71 -9.408 3.133 -5.003 1.00 0.34 C ATOM 1130 O ILE A 71 -10.027 3.031 -3.949 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.526 1.678 -4.286 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.460 1.925 -3.217 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -7.054 0.624 -5.273 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.703 1.154 -1.939 1.00 0.70 C ATOM 0 H ILE A 71 -7.495 4.359 -3.496 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.535 2.918 -6.056 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.423 1.314 -3.784 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.484 1.652 -3.618 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.424 2.990 -2.989 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.799 -0.289 -4.736 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.849 0.414 -5.989 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.175 0.990 -5.804 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.910 1.375 -1.224 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.665 1.445 -1.516 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.709 0.085 -2.154 1.00 0.70 H new ATOM 1146 N THR A 72 -9.999 3.244 -6.179 1.00 0.37 N ATOM 1147 CA THR A 72 -11.450 3.275 -6.321 1.00 0.33 C ATOM 1148 C THR A 72 -11.981 1.854 -6.493 1.00 0.31 C ATOM 1149 O THR A 72 -13.077 1.630 -7.009 1.00 0.33 O ATOM 1150 CB THR A 72 -11.852 4.120 -7.542 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.754 4.960 -7.935 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.069 4.976 -7.239 1.00 1.22 C ATOM 0 H THR A 72 -9.492 3.315 -7.061 1.00 0.37 H new ATOM 0 HA THR A 72 -11.878 3.722 -5.424 1.00 0.33 H new ATOM 0 HB THR A 72 -12.105 3.442 -8.357 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.014 5.495 -8.714 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.330 5.562 -8.120 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.907 4.334 -6.969 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.844 5.647 -6.410 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.138 0.901 -6.131 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.433 -0.517 -6.293 1.00 0.40 C ATOM 1162 C ASP A 73 -12.003 -1.103 -5.014 1.00 0.39 C ATOM 1163 O ASP A 73 -12.253 -2.310 -4.921 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.163 -1.270 -6.689 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.373 -2.207 -7.861 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.530 -2.382 -8.295 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -9.374 -2.768 -8.362 1.00 1.31 O ATOM 0 H ASP A 73 -10.226 1.088 -5.715 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.179 -0.624 -7.081 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.384 -0.550 -6.941 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.804 -1.842 -5.833 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.077 -0.274 -3.986 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.474 -0.739 -2.673 1.00 0.33 C ATOM 1174 C ALA A 74 -13.985 -0.804 -2.548 1.00 0.35 C ATOM 1175 O ALA A 74 -14.709 -0.049 -3.196 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.878 0.152 -1.602 1.00 0.36 C ATOM 0 H ALA A 74 -11.867 0.723 -4.038 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.091 -1.750 -2.536 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.183 -0.207 -0.619 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.791 0.131 -1.675 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.231 1.174 -1.741 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.454 -1.707 -1.709 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.875 -1.879 -1.489 1.00 0.52 C ATOM 1184 C TYR A 75 -16.334 -0.985 -0.351 1.00 0.46 C ATOM 1185 O TYR A 75 -15.908 -1.152 0.787 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.189 -3.342 -1.164 1.00 0.71 C ATOM 1187 CG TYR A 75 -17.180 -3.982 -2.109 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.752 -4.617 -3.268 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -18.543 -3.945 -1.847 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.655 -5.199 -4.138 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -19.452 -4.524 -2.713 1.00 2.26 C ATOM 1192 CZ TYR A 75 -19.003 -5.170 -3.843 1.00 2.21 C ATOM 1193 OH TYR A 75 -19.908 -5.725 -4.721 1.00 2.86 O ATOM 0 H TYR A 75 -13.865 -2.337 -1.165 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.407 -1.601 -2.399 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.262 -3.915 -1.183 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.580 -3.402 -0.148 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -15.696 -4.657 -3.493 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -18.899 -3.456 -0.952 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -17.308 -5.674 -5.044 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -20.510 -4.470 -2.504 1.00 2.26 H new ATOM 0 HH TYR A 75 -20.815 -5.622 -4.364 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.172 -0.013 -0.669 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.688 0.908 0.333 1.00 0.57 C ATOM 1205 C ALA A 76 -18.428 0.151 1.428 1.00 0.50 C ATOM 1206 O ALA A 76 -18.431 0.556 2.588 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.606 1.931 -0.313 1.00 0.74 C ATOM 0 H ALA A 76 -17.511 0.160 -1.615 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.845 1.431 0.785 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.984 2.613 0.449 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.051 2.496 -1.062 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.442 1.420 -0.790 1.00 0.74 H new ATOM 1213 N GLY A 77 -19.088 -0.929 1.036 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.856 -1.715 1.977 1.00 0.55 C ATOM 1215 C GLY A 77 -19.072 -2.856 2.608 1.00 0.48 C ATOM 1216 O GLY A 77 -19.656 -3.681 3.313 1.00 0.58 O ATOM 0 H GLY A 77 -19.104 -1.276 0.077 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.226 -1.060 2.766 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.728 -2.124 1.468 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.771 -2.941 2.343 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.970 -4.039 2.882 1.00 0.49 C ATOM 1222 C LYS A 78 -15.517 -3.632 3.106 1.00 0.43 C ATOM 1223 O LYS A 78 -14.835 -3.197 2.183 1.00 0.61 O ATOM 1224 CB LYS A 78 -17.033 -5.250 1.950 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.116 -6.577 2.688 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.285 -6.606 3.662 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.587 -6.962 2.964 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.764 -6.818 3.863 1.00 2.32 N ATOM 0 H LYS A 78 -17.255 -2.275 1.768 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.394 -4.302 3.851 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.900 -5.151 1.297 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.150 -5.253 1.310 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.222 -7.388 1.968 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -16.186 -6.751 3.230 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.084 -7.331 4.450 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.383 -5.632 4.142 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.717 -6.321 2.092 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.533 -7.988 2.600 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.630 -7.071 3.345 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -20.654 -7.449 4.683 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.832 -5.833 4.191 1.00 2.32 H new ATOM 1242 N GLU A 79 -15.064 -3.793 4.345 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.702 -3.446 4.737 1.00 0.43 C ATOM 1244 C GLU A 79 -12.662 -4.112 3.837 1.00 0.37 C ATOM 1245 O GLU A 79 -12.770 -5.296 3.495 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.461 -3.856 6.192 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.134 -3.374 6.755 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.303 -2.309 7.815 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -13.213 -2.444 8.657 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -11.528 -1.334 7.813 1.00 2.05 O ATOM 0 H GLU A 79 -15.631 -4.168 5.106 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.593 -2.367 4.631 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -14.270 -3.464 6.809 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -13.502 -4.943 6.265 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.595 -4.221 7.179 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -11.521 -2.980 5.944 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.638 -3.347 3.494 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.543 -3.840 2.678 1.00 0.38 C ATOM 1259 C TYR A 80 -9.262 -3.899 3.499 1.00 0.41 C ATOM 1260 O TYR A 80 -8.966 -2.977 4.264 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.331 -2.914 1.476 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.887 -3.444 0.174 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.223 -3.801 0.055 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.073 -3.571 -0.943 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.730 -4.273 -1.140 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.574 -4.038 -2.142 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.902 -4.388 -2.236 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.407 -4.845 -3.431 1.00 0.85 O ATOM 0 H TYR A 80 -11.544 -2.370 3.773 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.792 -4.842 2.328 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.794 -1.950 1.689 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.263 -2.735 1.355 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.876 -3.708 0.910 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.030 -3.300 -0.873 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.771 -4.551 -1.215 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.927 -4.128 -3.002 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.448 -4.106 -4.073 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.459 -4.927 3.272 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.149 -5.005 3.895 1.00 0.33 C ATOM 1280 C ILE A 81 -6.076 -4.693 2.857 1.00 0.29 C ATOM 1281 O ILE A 81 -5.849 -5.461 1.919 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.885 -6.378 4.571 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.418 -6.495 4.994 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.275 -7.534 3.661 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.132 -7.696 5.871 1.00 1.11 C ATOM 0 H ILE A 81 -8.690 -5.713 2.665 1.00 0.31 H new ATOM 0 HA ILE A 81 -7.116 -4.264 4.693 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.511 -6.435 5.462 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.795 -6.551 4.101 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -5.129 -5.589 5.528 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.076 -8.479 4.167 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.336 -7.467 3.422 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.692 -7.486 2.741 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.074 -7.713 6.131 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.728 -7.632 6.781 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.388 -8.609 5.333 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.532 -3.492 2.953 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.571 -2.995 1.983 1.00 0.30 C ATOM 1299 C ILE A 82 -3.160 -3.075 2.544 1.00 0.32 C ATOM 1300 O ILE A 82 -2.719 -2.194 3.277 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.882 -1.534 1.593 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.385 -1.342 1.376 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -4.112 -1.142 0.343 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.866 0.055 1.697 1.00 0.64 C ATOM 0 H ILE A 82 -5.743 -2.835 3.704 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.645 -3.621 1.094 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.567 -0.887 2.411 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.627 -1.572 0.338 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.928 -2.056 1.995 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.343 -0.109 0.082 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -3.042 -1.239 0.529 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.397 -1.797 -0.480 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.940 0.120 1.521 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.656 0.281 2.742 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -6.350 0.773 1.060 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.467 -4.151 2.221 1.00 0.31 N ATOM 1317 CA GLN A 83 -1.125 -4.364 2.724 1.00 0.34 C ATOM 1318 C GLN A 83 -0.082 -3.829 1.749 1.00 0.29 C ATOM 1319 O GLN A 83 -0.188 -4.024 0.537 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.889 -5.848 3.002 1.00 0.44 C ATOM 1321 CG GLN A 83 0.347 -6.110 3.848 1.00 0.60 C ATOM 1322 CD GLN A 83 0.146 -7.229 4.848 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.494 -8.235 4.551 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.700 -7.069 6.040 1.00 0.64 N ATOM 0 H GLN A 83 -2.813 -4.892 1.611 1.00 0.31 H new ATOM 0 HA GLN A 83 -1.023 -3.814 3.659 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.762 -6.259 3.509 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.792 -6.378 2.054 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.183 -6.359 3.194 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.618 -5.198 4.380 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.224 -6.219 6.249 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.603 -7.796 6.749 1.00 0.64 H new ATOM 1333 N VAL A 84 0.882 -3.098 2.291 1.00 0.28 N ATOM 1334 CA VAL A 84 1.933 -2.473 1.498 1.00 0.28 C ATOM 1335 C VAL A 84 3.282 -3.143 1.770 1.00 0.28 C ATOM 1336 O VAL A 84 3.610 -3.447 2.922 1.00 0.32 O ATOM 1337 CB VAL A 84 2.037 -0.962 1.815 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.053 -0.279 0.910 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.677 -0.292 1.687 1.00 0.51 C ATOM 0 H VAL A 84 0.958 -2.921 3.293 1.00 0.28 H new ATOM 0 HA VAL A 84 1.675 -2.598 0.446 1.00 0.28 H new ATOM 0 HB VAL A 84 2.379 -0.860 2.845 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.104 0.782 1.156 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.033 -0.733 1.056 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.750 -0.396 -0.130 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.772 0.770 1.914 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.306 -0.414 0.669 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.022 -0.751 2.386 1.00 0.51 H new ATOM 1349 N ALA A 85 4.057 -3.365 0.711 1.00 0.31 N ATOM 1350 CA ALA A 85 5.376 -3.981 0.829 1.00 0.36 C ATOM 1351 C ALA A 85 6.454 -3.042 0.303 1.00 0.30 C ATOM 1352 O ALA A 85 6.146 -1.962 -0.207 1.00 0.37 O ATOM 1353 CB ALA A 85 5.416 -5.303 0.080 1.00 0.49 C ATOM 0 H ALA A 85 3.792 -3.126 -0.244 1.00 0.31 H new ATOM 0 HA ALA A 85 5.570 -4.174 1.884 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.406 -5.747 0.179 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.671 -5.980 0.497 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.199 -5.131 -0.974 1.00 0.49 H new ATOM 1359 N ALA A 86 7.713 -3.448 0.438 1.00 0.35 N ATOM 1360 CA ALA A 86 8.832 -2.614 0.016 1.00 0.45 C ATOM 1361 C ALA A 86 9.933 -3.426 -0.668 1.00 0.40 C ATOM 1362 O ALA A 86 10.071 -4.629 -0.438 1.00 0.55 O ATOM 1363 CB ALA A 86 9.405 -1.873 1.215 1.00 0.70 C ATOM 0 H ALA A 86 7.983 -4.348 0.836 1.00 0.35 H new ATOM 0 HA ALA A 86 8.451 -1.900 -0.714 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.241 -1.252 0.893 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.633 -1.243 1.656 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.752 -2.593 1.956 1.00 0.70 H new ATOM 1369 N LYS A 87 10.737 -2.738 -1.470 1.00 0.46 N ATOM 1370 CA LYS A 87 11.876 -3.335 -2.164 1.00 0.49 C ATOM 1371 C LYS A 87 12.742 -2.215 -2.729 1.00 0.61 C ATOM 1372 O LYS A 87 12.244 -1.119 -2.973 1.00 0.80 O ATOM 1373 CB LYS A 87 11.397 -4.259 -3.298 1.00 0.62 C ATOM 1374 CG LYS A 87 12.523 -4.860 -4.130 1.00 0.69 C ATOM 1375 CD LYS A 87 12.006 -5.518 -5.399 1.00 0.91 C ATOM 1376 CE LYS A 87 12.120 -4.590 -6.599 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.419 -4.739 -7.301 1.00 1.33 N ATOM 0 H LYS A 87 10.618 -1.743 -1.660 1.00 0.46 H new ATOM 0 HA LYS A 87 12.455 -3.937 -1.463 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.806 -5.068 -2.868 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.735 -3.696 -3.956 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.237 -4.079 -4.392 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.061 -5.597 -3.533 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.569 -6.432 -5.591 1.00 0.91 H new ATOM 0 HD3 LYS A 87 10.964 -5.808 -5.261 1.00 0.91 H new ATOM 0 HE2 LYS A 87 11.307 -4.797 -7.295 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.003 -3.557 -6.270 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 13.586 -3.907 -7.902 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 14.184 -4.820 -6.602 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.398 -5.595 -7.892 1.00 1.33 H new ATOM 1391 N ASP A 88 14.019 -2.480 -2.954 1.00 0.67 N ATOM 1392 CA ASP A 88 14.888 -1.486 -3.568 1.00 0.81 C ATOM 1393 C ASP A 88 14.682 -1.494 -5.080 1.00 0.90 C ATOM 1394 O ASP A 88 14.310 -2.519 -5.660 1.00 1.00 O ATOM 1395 CB ASP A 88 16.355 -1.738 -3.208 1.00 0.96 C ATOM 1396 CG ASP A 88 17.024 -2.747 -4.116 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.521 -2.348 -5.191 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.076 -3.935 -3.745 1.00 1.42 O ATOM 0 H ASP A 88 14.474 -3.364 -2.724 1.00 0.67 H new ATOM 0 HA ASP A 88 14.627 -0.501 -3.182 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.902 -0.796 -3.256 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.415 -2.089 -2.178 1.00 0.96 H new ATOM 1403 N ASN A 89 14.761 -0.322 -5.692 1.00 1.00 N ATOM 1404 CA ASN A 89 14.433 -0.184 -7.109 1.00 1.17 C ATOM 1405 C ASN A 89 15.657 -0.366 -8.010 1.00 1.27 C ATOM 1406 O ASN A 89 15.725 0.208 -9.097 1.00 1.46 O ATOM 1407 CB ASN A 89 13.781 1.179 -7.377 1.00 1.30 C ATOM 1408 CG ASN A 89 12.915 1.179 -8.627 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.278 0.177 -8.963 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.879 2.308 -9.321 1.00 1.75 N ATOM 0 H ASN A 89 15.047 0.544 -5.236 1.00 1.00 H new ATOM 0 HA ASN A 89 13.728 -0.979 -7.352 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.172 1.461 -6.518 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.559 1.936 -7.479 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.310 2.370 -10.165 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.420 3.115 -9.010 1.00 1.75 H new ATOM 1417 N GLU A 90 16.597 -1.203 -7.597 1.00 1.29 N ATOM 1418 CA GLU A 90 17.759 -1.492 -8.424 1.00 1.46 C ATOM 1419 C GLU A 90 17.948 -2.998 -8.570 1.00 1.44 C ATOM 1420 O GLU A 90 18.306 -3.488 -9.642 1.00 1.57 O ATOM 1421 CB GLU A 90 19.017 -0.852 -7.835 1.00 1.60 C ATOM 1422 CG GLU A 90 19.319 0.530 -8.398 1.00 1.82 C ATOM 1423 CD GLU A 90 19.755 0.482 -9.848 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.627 -0.345 -10.189 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.238 1.277 -10.657 1.00 2.26 O ATOM 0 H GLU A 90 16.579 -1.691 -6.701 1.00 1.29 H new ATOM 0 HA GLU A 90 17.588 -1.065 -9.412 1.00 1.46 H new ATOM 0 HB2 GLU A 90 18.904 -0.778 -6.753 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.869 -1.506 -8.023 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.432 1.157 -8.309 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.102 0.999 -7.802 1.00 1.82 H new ATOM 1432 N ILE A 91 17.690 -3.726 -7.495 1.00 1.38 N ATOM 1433 CA ILE A 91 17.800 -5.177 -7.499 1.00 1.45 C ATOM 1434 C ILE A 91 16.607 -5.784 -6.749 1.00 1.48 C ATOM 1435 O ILE A 91 15.907 -5.084 -6.017 1.00 1.79 O ATOM 1436 CB ILE A 91 19.156 -5.636 -6.881 1.00 1.63 C ATOM 1437 CG1 ILE A 91 19.133 -7.117 -6.494 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.518 -4.784 -5.676 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.507 -7.707 -6.261 1.00 2.51 C ATOM 0 H ILE A 91 17.400 -3.331 -6.600 1.00 1.38 H new ATOM 0 HA ILE A 91 17.781 -5.533 -8.529 1.00 1.45 H new ATOM 0 HB ILE A 91 19.919 -5.503 -7.648 1.00 1.63 H new ATOM 0 HG12 ILE A 91 18.537 -7.238 -5.589 1.00 2.02 H new ATOM 0 HG13 ILE A 91 18.634 -7.681 -7.282 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.468 -5.123 -5.262 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.607 -3.741 -5.981 1.00 1.69 H new ATOM 0 HG23 ILE A 91 18.739 -4.875 -4.919 1.00 1.69 H new ATOM 0 HD11 ILE A 91 20.410 -8.759 -5.991 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.100 -7.619 -7.171 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.002 -7.169 -5.453 1.00 2.51 H new ATOM 1451 N GLY A 92 16.258 -7.017 -7.088 1.00 1.53 N ATOM 1452 CA GLY A 92 15.070 -7.633 -6.533 1.00 1.75 C ATOM 1453 C GLY A 92 15.243 -8.107 -5.100 1.00 1.30 C ATOM 1454 O GLY A 92 15.114 -9.297 -4.815 1.00 1.27 O ATOM 0 H GLY A 92 16.779 -7.604 -7.740 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.248 -6.919 -6.574 1.00 1.75 H new ATOM 0 HA3 GLY A 92 14.786 -8.481 -7.156 1.00 1.75 H new ATOM 1458 N THR A 93 15.446 -7.171 -4.187 1.00 1.16 N ATOM 1459 CA THR A 93 15.517 -7.482 -2.769 1.00 0.92 C ATOM 1460 C THR A 93 14.169 -7.211 -2.110 1.00 0.81 C ATOM 1461 O THR A 93 13.916 -6.111 -1.615 1.00 0.82 O ATOM 1462 CB THR A 93 16.610 -6.654 -2.079 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.644 -6.352 -3.025 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.197 -7.409 -0.895 1.00 1.62 C ATOM 0 H THR A 93 15.565 -6.182 -4.406 1.00 1.16 H new ATOM 0 HA THR A 93 15.767 -8.537 -2.663 1.00 0.92 H new ATOM 0 HB THR A 93 16.167 -5.730 -1.708 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.647 -5.390 -3.210 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.969 -6.802 -0.423 1.00 1.62 H new ATOM 0 HG22 THR A 93 16.409 -7.621 -0.172 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.633 -8.346 -1.241 1.00 1.62 H new ATOM 1472 N TRP A 94 13.264 -8.170 -2.240 1.00 0.78 N ATOM 1473 CA TRP A 94 11.892 -7.998 -1.782 1.00 0.75 C ATOM 1474 C TRP A 94 11.788 -8.141 -0.270 1.00 0.74 C ATOM 1475 O TRP A 94 12.236 -9.139 0.300 1.00 0.89 O ATOM 1476 CB TRP A 94 10.967 -9.033 -2.437 1.00 0.82 C ATOM 1477 CG TRP A 94 10.950 -9.001 -3.938 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.965 -9.350 -4.782 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.850 -8.623 -4.773 1.00 1.04 C ATOM 1480 NE1 TRP A 94 11.567 -9.200 -6.088 1.00 1.13 N ATOM 1481 CE2 TRP A 94 10.273 -8.756 -6.108 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.551 -8.181 -4.521 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 9.442 -8.464 -7.186 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.726 -7.893 -5.591 1.00 1.55 C ATOM 1485 CH2 TRP A 94 8.174 -8.036 -6.908 1.00 1.63 C ATOM 0 H TRP A 94 13.456 -9.079 -2.661 1.00 0.78 H new ATOM 0 HA TRP A 94 11.585 -6.992 -2.068 1.00 0.75 H new ATOM 0 HB2 TRP A 94 11.271 -10.028 -2.112 1.00 0.82 H new ATOM 0 HB3 TRP A 94 9.952 -8.875 -2.073 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.939 -9.694 -4.468 1.00 0.93 H new ATOM 0 HE1 TRP A 94 12.142 -9.389 -6.909 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.197 -8.066 -3.507 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 9.786 -8.572 -8.204 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.718 -7.552 -5.407 1.00 1.55 H new ATOM 0 HH2 TRP A 94 7.504 -7.803 -7.723 1.00 1.63 H new ATOM 1496 N SER A 95 11.044 -7.235 0.345 1.00 0.65 N ATOM 1497 CA SER A 95 10.682 -7.381 1.743 1.00 0.65 C ATOM 1498 C SER A 95 9.357 -8.128 1.837 1.00 0.63 C ATOM 1499 O SER A 95 8.730 -8.419 0.811 1.00 0.72 O ATOM 1500 CB SER A 95 10.574 -6.015 2.422 1.00 0.68 C ATOM 1501 OG SER A 95 11.480 -5.090 1.846 1.00 0.94 O ATOM 0 H SER A 95 10.681 -6.393 -0.102 1.00 0.65 H new ATOM 0 HA SER A 95 11.458 -7.947 2.257 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.555 -5.638 2.329 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.780 -6.117 3.487 1.00 0.68 H new ATOM 0 HG SER A 95 11.145 -4.806 0.970 1.00 0.94 H new ATOM 1507 N ASP A 96 8.911 -8.411 3.048 1.00 0.69 N ATOM 1508 CA ASP A 96 7.637 -9.086 3.235 1.00 0.74 C ATOM 1509 C ASP A 96 6.499 -8.078 3.206 1.00 0.63 C ATOM 1510 O ASP A 96 6.726 -6.866 3.290 1.00 0.53 O ATOM 1511 CB ASP A 96 7.618 -9.856 4.555 1.00 0.94 C ATOM 1512 CG ASP A 96 6.867 -11.168 4.447 1.00 1.28 C ATOM 1513 OD1 ASP A 96 5.679 -11.154 4.059 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.464 -12.223 4.750 1.00 1.94 O ATOM 0 H ASP A 96 9.407 -8.187 3.911 1.00 0.69 H new ATOM 0 HA ASP A 96 7.505 -9.797 2.419 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.642 -10.052 4.873 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.157 -9.239 5.326 1.00 0.94 H new ATOM 1519 N TRP A 97 5.277 -8.580 3.153 1.00 0.76 N ATOM 1520 CA TRP A 97 4.101 -7.729 3.195 1.00 0.73 C ATOM 1521 C TRP A 97 3.977 -7.119 4.583 1.00 0.60 C ATOM 1522 O TRP A 97 3.866 -7.840 5.573 1.00 0.76 O ATOM 1523 CB TRP A 97 2.855 -8.533 2.824 1.00 0.99 C ATOM 1524 CG TRP A 97 2.804 -8.861 1.364 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.014 -10.082 0.787 1.00 2.12 C ATOM 1526 CD2 TRP A 97 2.546 -7.948 0.291 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.897 -9.980 -0.576 1.00 2.24 N ATOM 1528 CE2 TRP A 97 2.611 -8.684 -0.906 1.00 1.53 C ATOM 1529 CE3 TRP A 97 2.264 -6.581 0.225 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 2.404 -8.102 -2.150 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 2.059 -6.003 -1.015 1.00 1.38 C ATOM 1532 CH2 TRP A 97 2.131 -6.765 -2.188 1.00 1.26 C ATOM 0 H TRP A 97 5.073 -9.577 3.081 1.00 0.76 H new ATOM 0 HA TRP A 97 4.200 -6.923 2.468 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.836 -9.457 3.402 1.00 0.99 H new ATOM 0 HB3 TRP A 97 1.965 -7.967 3.098 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.239 -10.992 1.324 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.006 -10.748 -1.238 1.00 2.24 H new ATOM 0 HE3 TRP A 97 2.207 -5.987 1.125 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 2.457 -8.687 -3.056 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 1.840 -4.947 -1.080 1.00 1.38 H new ATOM 0 HH2 TRP A 97 1.967 -6.285 -3.142 1.00 1.26 H new ATOM 1543 N SER A 98 4.278 -5.835 4.665 1.00 0.41 N ATOM 1544 CA SER A 98 4.476 -5.193 5.947 1.00 0.42 C ATOM 1545 C SER A 98 3.186 -4.612 6.523 1.00 0.38 C ATOM 1546 O SER A 98 2.610 -5.175 7.454 1.00 0.46 O ATOM 1547 CB SER A 98 5.534 -4.104 5.800 1.00 0.51 C ATOM 1548 OG SER A 98 6.223 -4.236 4.564 1.00 0.50 O ATOM 0 H SER A 98 4.390 -5.220 3.859 1.00 0.41 H new ATOM 0 HA SER A 98 4.812 -5.952 6.653 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.063 -3.123 5.856 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.243 -4.165 6.626 1.00 0.51 H new ATOM 0 HG SER A 98 7.078 -3.760 4.614 1.00 0.50 H new ATOM 1554 N VAL A 99 2.803 -3.434 6.052 1.00 0.33 N ATOM 1555 CA VAL A 99 1.696 -2.701 6.657 1.00 0.34 C ATOM 1556 C VAL A 99 0.359 -3.046 6.017 1.00 0.32 C ATOM 1557 O VAL A 99 0.080 -2.640 4.893 1.00 0.34 O ATOM 1558 CB VAL A 99 1.919 -1.177 6.571 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.930 -0.436 7.460 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.349 -0.824 6.951 1.00 1.32 C ATOM 0 H VAL A 99 3.238 -2.966 5.257 1.00 0.33 H new ATOM 0 HA VAL A 99 1.667 -3.005 7.703 1.00 0.34 H new ATOM 0 HB VAL A 99 1.750 -0.865 5.540 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.105 0.637 7.384 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.087 -0.661 7.139 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.063 -0.753 8.495 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.487 0.255 6.884 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.546 -1.153 7.971 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.040 -1.321 6.270 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.496 -3.709 6.781 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.857 -4.001 6.348 1.00 0.41 C ATOM 1572 C ALA A 100 -2.810 -2.896 6.796 1.00 0.43 C ATOM 1573 O ALA A 100 -3.373 -2.955 7.892 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.316 -5.346 6.890 1.00 0.50 C ATOM 0 H ALA A 100 -0.270 -4.058 7.712 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.866 -4.047 5.259 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.334 -5.545 6.555 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.654 -6.131 6.524 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.289 -5.328 7.980 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.002 -1.902 5.944 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.908 -0.805 6.243 1.00 0.36 C ATOM 1582 C ALA A 101 -5.358 -1.245 6.073 1.00 0.41 C ATOM 1583 O ALA A 101 -5.711 -1.892 5.089 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.600 0.391 5.354 1.00 0.42 C ATOM 0 H ALA A 101 -2.541 -1.832 5.037 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.764 -0.509 7.282 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.286 1.205 5.589 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.575 0.719 5.527 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.718 0.107 4.308 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.183 -0.939 7.057 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.585 -1.333 7.024 1.00 0.57 C ATOM 1592 C HIS A 102 -8.472 -0.110 6.880 1.00 0.50 C ATOM 1593 O HIS A 102 -8.324 0.856 7.632 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.956 -2.089 8.300 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.781 -3.572 8.193 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -6.861 -4.273 8.937 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.422 -4.488 7.431 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -6.941 -5.554 8.639 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -7.882 -5.715 7.729 1.00 2.00 N ATOM 0 H HIS A 102 -5.909 -0.419 7.891 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.737 -1.988 6.166 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.344 -1.718 9.122 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.994 -1.872 8.552 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -6.217 -3.865 9.614 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -9.211 -4.291 6.721 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -6.337 -6.340 9.068 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.388 -0.148 5.923 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.307 0.961 5.708 1.00 0.54 C ATOM 1610 C ALA A 103 -11.508 0.532 4.876 1.00 0.36 C ATOM 1611 O ALA A 103 -11.507 -0.539 4.264 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.594 2.124 5.037 1.00 0.91 C ATOM 0 H ALA A 103 -9.515 -0.933 5.284 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.669 1.284 6.684 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -10.297 2.943 4.885 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.774 2.463 5.671 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -9.199 1.801 4.074 1.00 0.91 H new ATOM 1618 N THR A 104 -12.528 1.380 4.859 1.00 0.41 N ATOM 1619 CA THR A 104 -13.740 1.135 4.089 1.00 0.38 C ATOM 1620 C THR A 104 -14.243 2.444 3.479 1.00 0.41 C ATOM 1621 O THR A 104 -14.439 3.424 4.200 1.00 0.51 O ATOM 1622 CB THR A 104 -14.850 0.537 4.977 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.270 -0.258 6.024 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.803 -0.312 4.154 1.00 0.70 C ATOM 0 H THR A 104 -12.538 2.257 5.379 1.00 0.41 H new ATOM 0 HA THR A 104 -13.498 0.423 3.300 1.00 0.38 H new ATOM 0 HB THR A 104 -15.413 1.359 5.419 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.982 -0.632 6.583 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.577 -0.723 4.802 1.00 0.70 H new ATOM 0 HG22 THR A 104 -16.265 0.304 3.383 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.252 -1.127 3.685 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.377 2.515 2.139 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.802 3.743 1.473 1.00 0.38 C ATOM 1634 C PRO A 105 -16.197 4.190 1.915 1.00 0.40 C ATOM 1635 O PRO A 105 -16.926 3.435 2.564 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.797 3.417 -0.023 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.346 1.997 -0.176 1.00 0.45 C ATOM 1638 CD PRO A 105 -14.049 1.436 1.195 1.00 0.40 C ATOM 0 HA PRO A 105 -14.134 4.567 1.724 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.792 3.550 -0.447 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.129 4.091 -0.559 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.118 1.406 -0.668 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.458 1.948 -0.806 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.646 0.546 1.393 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.003 1.143 1.281 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.528 5.442 1.606 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.792 6.054 2.015 1.00 0.41 C ATOM 1648 C TRP A 106 -18.993 5.193 1.619 1.00 0.48 C ATOM 1649 O TRP A 106 -19.263 4.986 0.437 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.896 7.453 1.395 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.258 8.077 1.486 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -20.012 8.250 2.612 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -20.020 8.624 0.403 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -21.197 8.865 2.291 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.225 9.104 0.942 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.800 8.752 -0.973 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.206 9.702 0.156 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.775 9.345 -1.752 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.965 9.814 -1.186 1.00 1.07 C ATOM 0 H TRP A 106 -15.927 6.062 1.064 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.805 6.134 3.102 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.177 8.108 1.887 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.607 7.393 0.346 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.720 7.948 3.607 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.937 9.105 2.950 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.884 8.393 -1.418 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.126 10.065 0.591 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.616 9.448 -2.815 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.708 10.274 -1.821 1.00 1.07 H new ATOM 1670 N THR A 107 -19.701 4.683 2.615 1.00 0.60 N ATOM 1671 CA THR A 107 -20.859 3.842 2.375 1.00 0.75 C ATOM 1672 C THR A 107 -22.147 4.663 2.378 1.00 0.82 C ATOM 1673 O THR A 107 -22.711 4.949 3.436 1.00 0.89 O ATOM 1674 CB THR A 107 -20.967 2.738 3.441 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.670 2.446 3.981 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.575 1.476 2.856 1.00 1.19 C ATOM 0 H THR A 107 -19.491 4.839 3.601 1.00 0.60 H new ATOM 0 HA THR A 107 -20.727 3.386 1.394 1.00 0.75 H new ATOM 0 HB THR A 107 -21.618 3.098 4.238 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.211 1.804 3.400 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.640 0.711 3.630 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.573 1.695 2.477 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.949 1.115 2.041 1.00 1.19 H new ATOM 1684 N GLU A 108 -22.616 5.030 1.195 1.00 1.03 N ATOM 1685 CA GLU A 108 -23.849 5.795 1.069 1.00 1.27 C ATOM 1686 C GLU A 108 -25.054 4.867 1.030 1.00 1.32 C ATOM 1687 O GLU A 108 -25.012 3.805 0.404 1.00 1.87 O ATOM 1688 CB GLU A 108 -23.816 6.662 -0.188 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.217 5.967 -1.400 1.00 2.11 C ATOM 1690 CD GLU A 108 -23.865 6.405 -2.693 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -24.114 7.618 -2.858 1.00 3.25 O ATOM 1692 OE2 GLU A 108 -24.124 5.541 -3.551 1.00 3.11 O ATOM 0 H GLU A 108 -22.162 4.811 0.308 1.00 1.03 H new ATOM 0 HA GLU A 108 -23.936 6.444 1.940 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -24.832 6.977 -0.427 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -23.243 7.565 0.021 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -22.148 6.175 -1.444 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -23.327 4.888 -1.288 1.00 2.11 H new ATOM 1699 N GLU A 109 -26.114 5.255 1.722 1.00 1.51 N ATOM 1700 CA GLU A 109 -27.331 4.459 1.775 1.00 1.77 C ATOM 1701 C GLU A 109 -28.545 5.350 1.564 1.00 2.52 C ATOM 1702 O GLU A 109 -29.612 4.827 1.183 1.00 3.20 O ATOM 1703 CB GLU A 109 -27.450 3.726 3.115 1.00 2.25 C ATOM 1704 CG GLU A 109 -26.313 4.014 4.085 1.00 2.64 C ATOM 1705 CD GLU A 109 -26.635 5.131 5.053 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -27.405 4.897 6.005 1.00 3.99 O ATOM 1707 OE2 GLU A 109 -26.116 6.250 4.872 1.00 4.37 O ATOM 1708 OXT GLU A 109 -28.421 6.576 1.778 1.00 2.99 O ATOM 0 H GLU A 109 -26.156 6.122 2.258 1.00 1.51 H new ATOM 0 HA GLU A 109 -27.286 3.715 0.980 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -28.393 4.003 3.586 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -27.490 2.653 2.927 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -26.083 3.108 4.646 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -25.418 4.276 3.521 1.00 2.64 H new TER 1715 GLU A 109