USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 686 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 Single : A 23 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-8.8!) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0214) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -92:sc= 0.052 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.473 (180deg=-1.43!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -2.76 F(o=-4.2,f=-2.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -85:sc= -0.0742 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 70:sc= -0.13 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 150:sc= -1.73 USER MOD Single : A 105 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.788 -14.490 -9.483 1.00 0.00 N ATOM 57 CA VAL A 20 -3.956 -13.202 -8.818 1.00 0.00 C ATOM 58 C VAL A 20 -3.766 -12.034 -9.781 1.00 0.00 C ATOM 59 O VAL A 20 -3.003 -12.125 -10.744 1.00 0.00 O ATOM 60 CB VAL A 20 -2.953 -13.039 -7.661 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.278 -13.998 -6.525 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.530 -13.252 -8.160 1.00 0.00 C ATOM 0 HA VAL A 20 -4.976 -13.189 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.034 -12.023 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.556 -13.865 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.281 -13.793 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.229 -15.024 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.832 -13.134 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.436 -14.256 -8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.302 -12.519 -8.934 1.00 0.00 H new ATOM 72 N GLU A 21 -4.444 -10.930 -9.496 1.00 0.00 N ATOM 73 CA GLU A 21 -4.335 -9.727 -10.312 1.00 0.00 C ATOM 74 C GLU A 21 -3.617 -8.646 -9.517 1.00 0.00 C ATOM 75 O GLU A 21 -4.047 -8.286 -8.422 1.00 0.00 O ATOM 76 CB GLU A 21 -5.720 -9.240 -10.741 1.00 0.00 C ATOM 77 CG GLU A 21 -6.105 -9.667 -12.148 1.00 0.00 C ATOM 78 CD GLU A 21 -7.538 -9.307 -12.495 1.00 0.00 C ATOM 79 OE1 GLU A 21 -8.459 -9.838 -11.838 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.738 -8.497 -13.423 1.00 0.00 O ATOM 0 H GLU A 21 -5.078 -10.842 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.764 -9.955 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.463 -9.619 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.749 -8.152 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.432 -9.195 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.971 -10.744 -12.246 1.00 0.00 H new ATOM 87 N LEU A 22 -2.510 -8.146 -10.054 1.00 0.00 N ATOM 88 CA LEU A 22 -1.736 -7.128 -9.357 1.00 0.00 C ATOM 89 C LEU A 22 -1.888 -5.752 -9.988 1.00 0.00 C ATOM 90 O LEU A 22 -2.159 -5.623 -11.183 1.00 0.00 O ATOM 91 CB LEU A 22 -0.261 -7.520 -9.306 1.00 0.00 C ATOM 92 CG LEU A 22 0.428 -7.567 -10.658 1.00 0.00 C ATOM 93 CD1 LEU A 22 0.868 -6.172 -11.077 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.613 -8.517 -10.617 1.00 0.00 C ATOM 0 H LEU A 22 -2.132 -8.425 -10.959 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.131 -7.068 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.268 -6.812 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.175 -8.499 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.281 -7.939 -11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.360 -6.222 -12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.003 -5.521 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.563 -5.772 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.096 -8.539 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.327 -8.176 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.268 -9.518 -10.360 1.00 0.00 H new ATOM 106 N HIS A 23 -1.706 -4.724 -9.165 1.00 0.00 N ATOM 107 CA HIS A 23 -1.812 -3.343 -9.614 1.00 0.00 C ATOM 108 C HIS A 23 -0.884 -2.443 -8.803 1.00 0.00 C ATOM 109 O HIS A 23 -0.701 -2.644 -7.601 1.00 0.00 O ATOM 110 CB HIS A 23 -3.256 -2.855 -9.483 1.00 0.00 C ATOM 111 CG HIS A 23 -3.780 -2.893 -8.083 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.406 -1.987 -7.112 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.663 -3.733 -7.489 1.00 0.00 C ATOM 114 CE1 HIS A 23 -4.034 -2.268 -5.985 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.802 -3.321 -6.187 1.00 0.00 N ATOM 0 H HIS A 23 -1.482 -4.825 -8.175 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.514 -3.298 -10.662 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.320 -1.833 -9.858 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.896 -3.468 -10.118 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.163 -4.570 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.935 -1.727 -5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.403 -3.759 -5.488 1.00 0.00 H new ATOM 124 N LYS A 24 -0.299 -1.450 -9.467 1.00 0.00 N ATOM 125 CA LYS A 24 0.608 -0.519 -8.802 1.00 0.00 C ATOM 126 C LYS A 24 -0.178 0.505 -7.993 1.00 0.00 C ATOM 127 O LYS A 24 -0.886 1.343 -8.552 1.00 0.00 O ATOM 128 CB LYS A 24 1.497 0.188 -9.826 1.00 0.00 C ATOM 129 CG LYS A 24 0.720 0.919 -10.909 1.00 0.00 C ATOM 130 CD LYS A 24 1.348 0.714 -12.279 1.00 0.00 C ATOM 131 CE LYS A 24 2.602 1.557 -12.449 1.00 0.00 C ATOM 132 NZ LYS A 24 3.838 0.776 -12.163 1.00 0.00 N ATOM 0 H LYS A 24 -0.436 -1.269 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 24 1.244 -1.087 -8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.138 0.901 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.152 -0.547 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.310 0.563 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.686 1.984 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.595 -0.339 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.626 0.973 -13.054 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.644 1.944 -13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.554 2.418 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.673 1.365 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.842 0.485 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.863 -0.068 -12.769 1.00 0.00 H new ATOM 146 N VAL A 25 -0.055 0.427 -6.673 1.00 0.00 N ATOM 147 CA VAL A 25 -0.763 1.340 -5.782 1.00 0.00 C ATOM 148 C VAL A 25 0.183 2.357 -5.155 1.00 0.00 C ATOM 149 O VAL A 25 1.373 2.097 -4.987 1.00 0.00 O ATOM 150 CB VAL A 25 -1.501 0.586 -4.648 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.994 0.861 -4.711 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.227 -0.913 -4.708 1.00 0.00 C ATOM 0 H VAL A 25 0.529 -0.260 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.495 1.858 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.119 0.955 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.497 0.324 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.172 1.931 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.385 0.526 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.759 -1.413 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.569 -1.307 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.157 -1.092 -4.603 1.00 0.00 H new ATOM 162 N THR A 26 -0.366 3.513 -4.798 1.00 0.00 N ATOM 163 CA THR A 26 0.410 4.577 -4.173 1.00 0.00 C ATOM 164 C THR A 26 -0.350 5.135 -2.971 1.00 0.00 C ATOM 165 O THR A 26 -1.487 5.588 -3.105 1.00 0.00 O ATOM 166 CB THR A 26 0.695 5.691 -5.180 1.00 0.00 C ATOM 167 OG1 THR A 26 1.450 5.198 -6.273 1.00 0.00 O ATOM 168 CG2 THR A 26 1.457 6.857 -4.587 1.00 0.00 C ATOM 0 H THR A 26 -1.352 3.737 -4.932 1.00 0.00 H new ATOM 0 HA THR A 26 1.361 4.166 -3.834 1.00 0.00 H new ATOM 0 HB THR A 26 -0.285 6.044 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.621 5.925 -6.907 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.625 7.611 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.879 7.293 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.416 6.508 -4.205 1.00 0.00 H new ATOM 176 N LEU A 27 0.271 5.083 -1.797 1.00 0.00 N ATOM 177 CA LEU A 27 -0.371 5.568 -0.578 1.00 0.00 C ATOM 178 C LEU A 27 0.249 6.870 -0.086 1.00 0.00 C ATOM 179 O LEU A 27 1.240 7.352 -0.632 1.00 0.00 O ATOM 180 CB LEU A 27 -0.274 4.513 0.523 1.00 0.00 C ATOM 181 CG LEU A 27 -1.107 3.250 0.286 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.205 2.030 0.174 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.130 3.062 1.400 1.00 0.00 C ATOM 0 H LEU A 27 1.212 4.713 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.417 5.761 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.771 4.224 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.585 4.964 1.465 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.646 3.366 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.814 1.142 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.483 2.162 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.363 1.911 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.711 2.159 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.614 2.969 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.798 3.923 1.430 1.00 0.00 H new ATOM 195 N TYR A 28 -0.351 7.424 0.964 1.00 0.00 N ATOM 196 CA TYR A 28 0.120 8.662 1.571 1.00 0.00 C ATOM 197 C TYR A 28 0.034 8.561 3.091 1.00 0.00 C ATOM 198 O TYR A 28 -1.030 8.271 3.641 1.00 0.00 O ATOM 199 CB TYR A 28 -0.708 9.851 1.077 1.00 0.00 C ATOM 200 CG TYR A 28 -0.898 9.878 -0.423 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.069 10.430 -1.254 1.00 0.00 C ATOM 202 CD2 TYR A 28 -2.045 9.356 -1.007 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.101 10.460 -2.625 1.00 0.00 C ATOM 204 CE2 TYR A 28 -2.223 9.382 -2.378 1.00 0.00 C ATOM 205 CZ TYR A 28 -1.248 9.935 -3.182 1.00 0.00 C ATOM 206 OH TYR A 28 -1.423 9.963 -4.545 1.00 0.00 O ATOM 0 H TYR A 28 -1.175 7.027 1.416 1.00 0.00 H new ATOM 0 HA TYR A 28 1.159 8.819 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.686 9.826 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.222 10.775 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.968 10.842 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.810 8.923 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.661 10.892 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.120 8.972 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.283 9.552 -4.773 1.00 0.00 H new ATOM 216 N LYS A 29 1.153 8.788 3.769 1.00 0.00 N ATOM 217 CA LYS A 29 1.189 8.704 5.225 1.00 0.00 C ATOM 218 C LYS A 29 0.988 10.072 5.867 1.00 0.00 C ATOM 219 O LYS A 29 1.392 11.097 5.318 1.00 0.00 O ATOM 220 CB LYS A 29 2.514 8.097 5.690 1.00 0.00 C ATOM 221 CG LYS A 29 2.347 7.014 6.742 1.00 0.00 C ATOM 222 CD LYS A 29 3.581 6.894 7.625 1.00 0.00 C ATOM 223 CE LYS A 29 3.319 7.416 9.029 1.00 0.00 C ATOM 224 NZ LYS A 29 3.868 6.503 10.070 1.00 0.00 N ATOM 0 H LYS A 29 2.044 9.031 3.336 1.00 0.00 H new ATOM 0 HA LYS A 29 0.369 8.059 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.035 7.679 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.146 8.889 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.477 7.238 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.154 6.059 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.892 5.851 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.405 7.450 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.767 8.404 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.246 7.534 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.670 6.893 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.422 5.568 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.896 6.410 9.943 1.00 0.00 H new ATOM 238 N ASP A 30 0.360 10.075 7.041 1.00 0.00 N ATOM 239 CA ASP A 30 0.101 11.310 7.772 1.00 0.00 C ATOM 240 C ASP A 30 0.701 11.243 9.172 1.00 0.00 C ATOM 241 O ASP A 30 0.876 10.160 9.732 1.00 0.00 O ATOM 242 CB ASP A 30 -1.404 11.570 7.860 1.00 0.00 C ATOM 243 CG ASP A 30 -1.743 13.044 7.758 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.414 13.660 6.723 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.339 13.584 8.715 1.00 0.00 O ATOM 0 H ASP A 30 0.021 9.233 7.506 1.00 0.00 H new ATOM 0 HA ASP A 30 0.571 12.131 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.911 11.027 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.783 11.177 8.803 1.00 0.00 H new ATOM 250 N SER A 31 1.020 12.404 9.732 1.00 0.00 N ATOM 251 CA SER A 31 1.607 12.477 11.067 1.00 0.00 C ATOM 252 C SER A 31 0.633 11.973 12.128 1.00 0.00 C ATOM 253 O SER A 31 1.046 11.541 13.205 1.00 0.00 O ATOM 254 CB SER A 31 2.025 13.913 11.385 1.00 0.00 C ATOM 255 OG SER A 31 1.122 14.846 10.814 1.00 0.00 O ATOM 0 H SER A 31 0.882 13.309 9.283 1.00 0.00 H new ATOM 0 HA SER A 31 2.488 11.835 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.063 14.053 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.030 14.095 11.004 1.00 0.00 H new ATOM 0 HG SER A 31 1.442 15.109 9.926 1.00 0.00 H new ATOM 261 N GLY A 32 -0.661 12.036 11.826 1.00 0.00 N ATOM 262 CA GLY A 32 -1.665 11.585 12.773 1.00 0.00 C ATOM 263 C GLY A 32 -2.200 10.199 12.461 1.00 0.00 C ATOM 264 O GLY A 32 -3.053 9.682 13.181 1.00 0.00 O ATOM 0 H GLY A 32 -1.031 12.391 10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.236 11.585 13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.493 12.294 12.781 1.00 0.00 H new ATOM 268 N MET A 33 -1.700 9.590 11.387 1.00 0.00 N ATOM 269 CA MET A 33 -2.142 8.257 10.993 1.00 0.00 C ATOM 270 C MET A 33 -1.419 7.180 11.797 1.00 0.00 C ATOM 271 O MET A 33 -0.193 7.190 11.905 1.00 0.00 O ATOM 272 CB MET A 33 -1.906 8.042 9.495 1.00 0.00 C ATOM 273 CG MET A 33 -3.188 7.948 8.684 1.00 0.00 C ATOM 274 SD MET A 33 -4.249 9.390 8.897 1.00 0.00 S ATOM 275 CE MET A 33 -5.474 9.102 7.622 1.00 0.00 C ATOM 0 H MET A 33 -0.991 9.998 10.777 1.00 0.00 H new ATOM 0 HA MET A 33 -3.209 8.179 11.201 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.302 8.863 9.109 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.329 7.128 9.354 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.939 7.837 7.629 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.735 7.052 8.978 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.377 9.667 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.079 9.424 6.658 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.712 8.039 7.580 1.00 0.00 H new ATOM 285 N GLU A 34 -2.188 6.249 12.355 1.00 0.00 N ATOM 286 CA GLU A 34 -1.622 5.161 13.146 1.00 0.00 C ATOM 287 C GLU A 34 -1.079 4.051 12.248 1.00 0.00 C ATOM 288 O GLU A 34 -0.388 3.144 12.713 1.00 0.00 O ATOM 289 CB GLU A 34 -2.676 4.591 14.097 1.00 0.00 C ATOM 290 CG GLU A 34 -2.905 5.448 15.333 1.00 0.00 C ATOM 291 CD GLU A 34 -3.194 4.619 16.569 1.00 0.00 C ATOM 292 OE1 GLU A 34 -2.591 3.535 16.712 1.00 0.00 O ATOM 293 OE2 GLU A 34 -4.022 5.056 17.395 1.00 0.00 O ATOM 0 H GLU A 34 -3.205 6.226 12.274 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.795 5.567 13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.618 4.483 13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.371 3.592 14.409 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.025 6.065 15.511 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.739 6.126 15.151 1.00 0.00 H new ATOM 300 N ASP A 35 -1.394 4.130 10.959 1.00 0.00 N ATOM 301 CA ASP A 35 -0.939 3.138 9.992 1.00 0.00 C ATOM 302 C ASP A 35 -0.911 3.736 8.590 1.00 0.00 C ATOM 303 O ASP A 35 -0.970 4.956 8.429 1.00 0.00 O ATOM 304 CB ASP A 35 -1.850 1.907 10.025 1.00 0.00 C ATOM 305 CG ASP A 35 -1.082 0.628 10.293 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.484 0.511 11.383 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.078 -0.258 9.412 1.00 0.00 O ATOM 0 H ASP A 35 -1.965 4.874 10.559 1.00 0.00 H new ATOM 0 HA ASP A 35 0.072 2.832 10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.609 2.040 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.374 1.820 9.073 1.00 0.00 H new ATOM 312 N PHE A 36 -0.821 2.880 7.576 1.00 0.00 N ATOM 313 CA PHE A 36 -0.786 3.349 6.197 1.00 0.00 C ATOM 314 C PHE A 36 -2.108 3.086 5.484 1.00 0.00 C ATOM 315 O PHE A 36 -2.152 2.977 4.259 1.00 0.00 O ATOM 316 CB PHE A 36 0.366 2.693 5.434 1.00 0.00 C ATOM 317 CG PHE A 36 1.266 3.689 4.762 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.791 4.493 3.739 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.587 3.827 5.158 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.614 5.415 3.123 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.416 4.746 4.545 1.00 0.00 C ATOM 322 CZ PHE A 36 2.929 5.543 3.526 1.00 0.00 C ATOM 0 H PHE A 36 -0.771 1.867 7.683 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.625 4.427 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.954 2.088 6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.041 2.015 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.236 4.398 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.973 3.209 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.230 6.035 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.444 4.842 4.862 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.575 6.264 3.046 1.00 0.00 H new ATOM 332 N GLY A 37 -3.186 3.000 6.257 1.00 0.00 N ATOM 333 CA GLY A 37 -4.494 2.770 5.673 1.00 0.00 C ATOM 334 C GLY A 37 -4.869 1.303 5.573 1.00 0.00 C ATOM 335 O GLY A 37 -5.963 0.975 5.118 1.00 0.00 O ATOM 0 H GLY A 37 -3.177 3.085 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.245 3.288 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.520 3.211 4.677 1.00 0.00 H new ATOM 339 N PHE A 38 -3.975 0.414 5.996 1.00 0.00 N ATOM 340 CA PHE A 38 -4.259 -1.016 5.935 1.00 0.00 C ATOM 341 C PHE A 38 -3.187 -1.839 6.640 1.00 0.00 C ATOM 342 O PHE A 38 -2.012 -1.476 6.651 1.00 0.00 O ATOM 343 CB PHE A 38 -4.397 -1.469 4.479 1.00 0.00 C ATOM 344 CG PHE A 38 -3.118 -1.427 3.685 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.105 -2.344 3.920 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.937 -0.479 2.689 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.941 -2.319 3.176 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.774 -0.448 1.945 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.775 -1.370 2.188 1.00 0.00 C ATOM 0 H PHE A 38 -3.061 0.653 6.379 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.201 -1.184 6.456 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.785 -2.488 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.137 -0.839 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.227 -3.087 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.715 0.244 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.162 -3.042 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.646 0.297 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.134 -1.348 1.606 1.00 0.00 H new ATOM 359 N SER A 39 -3.608 -2.961 7.221 1.00 0.00 N ATOM 360 CA SER A 39 -2.694 -3.852 7.923 1.00 0.00 C ATOM 361 C SER A 39 -2.494 -5.136 7.127 1.00 0.00 C ATOM 362 O SER A 39 -3.447 -5.690 6.578 1.00 0.00 O ATOM 363 CB SER A 39 -3.232 -4.177 9.318 1.00 0.00 C ATOM 364 OG SER A 39 -4.643 -4.313 9.303 1.00 0.00 O ATOM 0 H SER A 39 -4.579 -3.273 7.218 1.00 0.00 H new ATOM 0 HA SER A 39 -1.733 -3.349 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.779 -5.100 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.947 -3.388 10.014 1.00 0.00 H new ATOM 0 HG SER A 39 -4.961 -4.522 10.206 1.00 0.00 H new ATOM 370 N VAL A 40 -1.251 -5.598 7.059 1.00 0.00 N ATOM 371 CA VAL A 40 -0.926 -6.810 6.321 1.00 0.00 C ATOM 372 C VAL A 40 -0.802 -8.015 7.250 1.00 0.00 C ATOM 373 O VAL A 40 -0.629 -7.863 8.459 1.00 0.00 O ATOM 374 CB VAL A 40 0.382 -6.641 5.525 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.278 -5.457 4.575 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.568 -6.475 6.464 1.00 0.00 C ATOM 0 H VAL A 40 -0.452 -5.150 7.507 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.747 -6.987 5.626 1.00 0.00 H new ATOM 0 HB VAL A 40 0.542 -7.543 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.211 -5.352 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.543 -5.622 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.091 -4.548 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.481 -6.357 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.419 -5.592 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.655 -7.356 7.100 1.00 0.00 H new ATOM 386 N ALA A 41 -0.896 -9.211 6.675 1.00 0.00 N ATOM 387 CA ALA A 41 -0.799 -10.443 7.451 1.00 0.00 C ATOM 388 C ALA A 41 0.287 -11.359 6.896 1.00 0.00 C ATOM 389 O ALA A 41 0.840 -11.110 5.827 1.00 0.00 O ATOM 390 CB ALA A 41 -2.141 -11.159 7.466 1.00 0.00 C ATOM 0 H ALA A 41 -1.039 -9.353 5.675 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.526 -10.181 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.057 -12.077 8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.894 -10.512 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.435 -11.402 6.445 1.00 0.00 H new ATOM 396 N ASP A 42 0.587 -12.426 7.634 1.00 0.00 N ATOM 397 CA ASP A 42 1.606 -13.383 7.219 1.00 0.00 C ATOM 398 C ASP A 42 1.039 -14.384 6.216 1.00 0.00 C ATOM 399 O ASP A 42 -0.064 -14.899 6.395 1.00 0.00 O ATOM 400 CB ASP A 42 2.166 -14.124 8.435 1.00 0.00 C ATOM 401 CG ASP A 42 3.656 -14.374 8.326 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.414 -13.394 8.169 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.067 -15.552 8.395 1.00 0.00 O ATOM 0 H ASP A 42 0.138 -12.648 8.522 1.00 0.00 H new ATOM 0 HA ASP A 42 2.411 -12.830 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.963 -13.544 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.648 -15.077 8.546 1.00 0.00 H new ATOM 408 N GLY A 43 1.802 -14.654 5.164 1.00 0.00 N ATOM 409 CA GLY A 43 1.361 -15.594 4.149 1.00 0.00 C ATOM 410 C GLY A 43 2.101 -16.916 4.227 1.00 0.00 C ATOM 411 O GLY A 43 3.253 -17.016 3.806 1.00 0.00 O ATOM 0 H GLY A 43 2.718 -14.239 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.292 -15.772 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.509 -15.155 3.162 1.00 0.00 H new ATOM 415 N LEU A 44 1.438 -17.931 4.769 1.00 0.00 N ATOM 416 CA LEU A 44 2.041 -19.253 4.901 1.00 0.00 C ATOM 417 C LEU A 44 1.681 -20.145 3.721 1.00 0.00 C ATOM 418 O LEU A 44 2.437 -21.041 3.348 1.00 0.00 O ATOM 419 CB LEU A 44 1.600 -19.912 6.211 1.00 0.00 C ATOM 420 CG LEU A 44 2.495 -19.622 7.415 1.00 0.00 C ATOM 421 CD1 LEU A 44 3.850 -20.291 7.247 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.659 -18.122 7.609 1.00 0.00 C ATOM 0 H LEU A 44 0.484 -17.865 5.124 1.00 0.00 H new ATOM 0 HA LEU A 44 3.123 -19.126 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.587 -19.582 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.557 -20.991 6.061 1.00 0.00 H new ATOM 0 HG LEU A 44 2.018 -20.033 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.473 -20.073 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.715 -21.369 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.334 -19.911 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.299 -17.934 8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.113 -17.687 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.682 -17.668 7.777 1.00 0.00 H new ATOM 434 N LEU A 45 0.520 -19.888 3.141 1.00 0.00 N ATOM 435 CA LEU A 45 0.046 -20.661 1.999 1.00 0.00 C ATOM 436 C LEU A 45 0.631 -20.135 0.689 1.00 0.00 C ATOM 437 O LEU A 45 0.424 -20.726 -0.370 1.00 0.00 O ATOM 438 CB LEU A 45 -1.482 -20.630 1.935 1.00 0.00 C ATOM 439 CG LEU A 45 -2.188 -21.645 2.837 1.00 0.00 C ATOM 440 CD1 LEU A 45 -3.694 -21.580 2.636 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.671 -23.049 2.565 1.00 0.00 C ATOM 0 H LEU A 45 -0.115 -19.148 3.441 1.00 0.00 H new ATOM 0 HA LEU A 45 0.381 -21.690 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.822 -19.630 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.791 -20.805 0.905 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.970 -21.394 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.180 -22.309 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.051 -20.580 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.932 -21.805 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.184 -23.758 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.859 -23.310 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.599 -23.086 2.761 1.00 0.00 H new ATOM 453 N GLU A 46 1.359 -19.024 0.765 1.00 0.00 N ATOM 454 CA GLU A 46 1.968 -18.427 -0.420 1.00 0.00 C ATOM 455 C GLU A 46 3.216 -17.633 -0.050 1.00 0.00 C ATOM 456 O GLU A 46 3.574 -16.677 -0.737 1.00 0.00 O ATOM 457 CB GLU A 46 0.967 -17.514 -1.134 1.00 0.00 C ATOM 458 CG GLU A 46 -0.468 -18.018 -1.090 1.00 0.00 C ATOM 459 CD GLU A 46 -1.412 -17.163 -1.911 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.318 -15.919 -1.821 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.245 -17.734 -2.644 1.00 0.00 O ATOM 0 H GLU A 46 1.541 -18.520 1.633 1.00 0.00 H new ATOM 0 HA GLU A 46 2.256 -19.236 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.008 -16.523 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.271 -17.402 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.500 -19.044 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.810 -18.039 -0.055 1.00 0.00 H new ATOM 468 N LYS A 47 3.873 -18.041 1.039 1.00 0.00 N ATOM 469 CA LYS A 47 5.092 -17.382 1.526 1.00 0.00 C ATOM 470 C LYS A 47 5.144 -15.905 1.133 1.00 0.00 C ATOM 471 O LYS A 47 5.644 -15.556 0.063 1.00 0.00 O ATOM 472 CB LYS A 47 6.329 -18.106 0.991 1.00 0.00 C ATOM 473 CG LYS A 47 7.025 -18.971 2.030 1.00 0.00 C ATOM 474 CD LYS A 47 8.528 -18.745 2.031 1.00 0.00 C ATOM 475 CE LYS A 47 9.094 -18.758 3.441 1.00 0.00 C ATOM 476 NZ LYS A 47 10.573 -18.585 3.449 1.00 0.00 N ATOM 0 H LYS A 47 3.578 -18.835 1.608 1.00 0.00 H new ATOM 0 HA LYS A 47 5.077 -17.433 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.037 -18.731 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.036 -17.368 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.622 -18.748 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.815 -20.022 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.013 -19.519 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.753 -17.790 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.632 -17.961 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.836 -19.699 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.919 -18.600 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.016 -19.359 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.818 -17.675 3.009 1.00 0.00 H new ATOM 490 N GLY A 48 4.626 -15.044 2.004 1.00 0.00 N ATOM 491 CA GLY A 48 4.624 -13.620 1.727 1.00 0.00 C ATOM 492 C GLY A 48 3.763 -12.840 2.698 1.00 0.00 C ATOM 493 O GLY A 48 3.562 -13.261 3.838 1.00 0.00 O ATOM 0 H GLY A 48 4.208 -15.308 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.646 -13.244 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.265 -13.451 0.712 1.00 0.00 H new ATOM 497 N VAL A 49 3.254 -11.698 2.247 1.00 0.00 N ATOM 498 CA VAL A 49 2.409 -10.853 3.083 1.00 0.00 C ATOM 499 C VAL A 49 1.338 -10.157 2.248 1.00 0.00 C ATOM 500 O VAL A 49 1.607 -9.694 1.140 1.00 0.00 O ATOM 501 CB VAL A 49 3.239 -9.786 3.821 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.394 -9.076 4.866 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.470 -10.410 4.459 1.00 0.00 C ATOM 0 H VAL A 49 3.412 -11.336 1.306 1.00 0.00 H new ATOM 0 HA VAL A 49 1.933 -11.504 3.816 1.00 0.00 H new ATOM 0 HB VAL A 49 3.570 -9.047 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.000 -8.326 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.548 -8.590 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.028 -9.802 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.043 -9.639 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.162 -11.173 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.089 -10.865 3.686 1.00 0.00 H new ATOM 513 N TYR A 50 0.124 -10.089 2.784 1.00 0.00 N ATOM 514 CA TYR A 50 -0.984 -9.449 2.080 1.00 0.00 C ATOM 515 C TYR A 50 -1.802 -8.575 3.023 1.00 0.00 C ATOM 516 O TYR A 50 -1.812 -8.790 4.236 1.00 0.00 O ATOM 517 CB TYR A 50 -1.897 -10.495 1.423 1.00 0.00 C ATOM 518 CG TYR A 50 -1.343 -11.903 1.445 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.185 -12.225 0.752 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.980 -12.908 2.162 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.325 -13.508 0.772 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.478 -14.194 2.185 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.324 -14.490 1.488 1.00 0.00 C ATOM 524 OH TYR A 50 0.179 -15.770 1.509 1.00 0.00 O ATOM 0 H TYR A 50 -0.118 -10.467 3.700 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.554 -8.818 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.862 -10.488 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.078 -10.204 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.326 -11.459 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.882 -12.680 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.229 -13.741 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.986 -14.965 2.746 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.397 -16.339 2.061 1.00 0.00 H new ATOM 534 N VAL A 51 -2.495 -7.592 2.457 1.00 0.00 N ATOM 535 CA VAL A 51 -3.326 -6.691 3.242 1.00 0.00 C ATOM 536 C VAL A 51 -4.518 -7.438 3.829 1.00 0.00 C ATOM 537 O VAL A 51 -5.353 -7.970 3.097 1.00 0.00 O ATOM 538 CB VAL A 51 -3.826 -5.505 2.392 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.748 -4.606 3.204 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.650 -4.710 1.844 1.00 0.00 C ATOM 0 H VAL A 51 -2.496 -7.400 1.455 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.711 -6.300 4.053 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.396 -5.904 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.087 -3.777 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.609 -5.181 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.208 -4.216 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.021 -3.877 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.053 -4.326 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.032 -5.357 1.221 1.00 0.00 H new ATOM 550 N LYS A 52 -4.587 -7.480 5.154 1.00 0.00 N ATOM 551 CA LYS A 52 -5.668 -8.167 5.844 1.00 0.00 C ATOM 552 C LYS A 52 -6.865 -7.242 6.045 1.00 0.00 C ATOM 553 O LYS A 52 -8.010 -7.689 6.072 1.00 0.00 O ATOM 554 CB LYS A 52 -5.168 -8.707 7.190 1.00 0.00 C ATOM 555 CG LYS A 52 -6.273 -9.093 8.165 1.00 0.00 C ATOM 556 CD LYS A 52 -6.100 -10.517 8.672 1.00 0.00 C ATOM 557 CE LYS A 52 -7.391 -11.060 9.266 1.00 0.00 C ATOM 558 NZ LYS A 52 -7.745 -12.391 8.702 1.00 0.00 N ATOM 0 H LYS A 52 -3.903 -7.044 5.773 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.996 -9.004 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.541 -9.580 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.535 -7.953 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.272 -8.403 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.242 -8.996 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.777 -11.159 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.313 -10.543 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.287 -11.140 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.202 -10.357 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.630 -12.726 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.869 -12.310 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.983 -13.068 8.906 1.00 0.00 H new ATOM 572 N ASN A 53 -6.587 -5.957 6.189 1.00 0.00 N ATOM 573 CA ASN A 53 -7.643 -4.968 6.393 1.00 0.00 C ATOM 574 C ASN A 53 -7.187 -3.571 5.987 1.00 0.00 C ATOM 575 O ASN A 53 -6.015 -3.224 6.123 1.00 0.00 O ATOM 576 CB ASN A 53 -8.086 -4.959 7.856 1.00 0.00 C ATOM 577 CG ASN A 53 -8.793 -6.239 8.256 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.138 -7.042 9.086 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -9.915 -6.505 7.824 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.643 -5.571 6.169 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.484 -5.250 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.215 -4.814 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.751 -4.112 8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.383 -5.859 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.377 -7.371 8.102 1.00 0.00 H new ATOM 586 N ILE A 54 -8.129 -2.772 5.492 1.00 0.00 N ATOM 587 CA ILE A 54 -7.840 -1.407 5.069 1.00 0.00 C ATOM 588 C ILE A 54 -8.756 -0.412 5.774 1.00 0.00 C ATOM 589 O ILE A 54 -9.980 -0.541 5.729 1.00 0.00 O ATOM 590 CB ILE A 54 -7.995 -1.255 3.544 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.161 -2.328 2.829 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.595 0.150 3.103 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.517 -1.868 1.536 1.00 0.00 C ATOM 0 H ILE A 54 -9.103 -3.050 5.374 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.806 -1.194 5.342 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.041 -1.397 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.380 -2.673 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.800 -3.185 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.711 0.239 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.233 0.882 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.555 0.334 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.948 -2.690 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.291 -1.551 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.848 -1.032 1.740 1.00 0.00 H new ATOM 605 N ARG A 55 -8.154 0.576 6.429 1.00 0.00 N ATOM 606 CA ARG A 55 -8.914 1.591 7.150 1.00 0.00 C ATOM 607 C ARG A 55 -9.746 2.441 6.188 1.00 0.00 C ATOM 608 O ARG A 55 -9.198 3.213 5.401 1.00 0.00 O ATOM 609 CB ARG A 55 -7.967 2.491 7.948 1.00 0.00 C ATOM 610 CG ARG A 55 -8.673 3.363 8.972 1.00 0.00 C ATOM 611 CD ARG A 55 -7.706 3.878 10.026 1.00 0.00 C ATOM 612 NE ARG A 55 -8.400 4.516 11.141 1.00 0.00 N ATOM 613 CZ ARG A 55 -8.991 3.847 12.129 1.00 0.00 C ATOM 614 NH1 ARG A 55 -8.974 2.520 12.144 1.00 0.00 N ATOM 615 NH2 ARG A 55 -9.599 4.505 13.106 1.00 0.00 N ATOM 0 H ARG A 55 -7.142 0.695 6.475 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.592 1.082 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.232 1.868 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.418 3.130 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.147 4.206 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.467 2.791 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.103 3.050 10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.020 4.592 9.570 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.434 5.535 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.507 2.007 11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.428 2.013 12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.614 5.525 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.051 3.991 13.862 1.00 0.00 H new ATOM 629 N PRO A 56 -11.085 2.315 6.238 1.00 0.00 N ATOM 630 CA PRO A 56 -11.982 3.080 5.363 1.00 0.00 C ATOM 631 C PRO A 56 -11.800 4.585 5.526 1.00 0.00 C ATOM 632 O PRO A 56 -11.925 5.119 6.629 1.00 0.00 O ATOM 633 CB PRO A 56 -13.384 2.661 5.821 1.00 0.00 C ATOM 634 CG PRO A 56 -13.190 1.355 6.509 1.00 0.00 C ATOM 635 CD PRO A 56 -11.831 1.423 7.142 1.00 0.00 C ATOM 0 HA PRO A 56 -11.788 2.877 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.817 3.401 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.063 2.564 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.963 1.190 7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.251 0.528 5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.878 1.823 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.368 0.439 7.209 1.00 0.00 H new ATOM 643 N ALA A 57 -11.504 5.263 4.420 1.00 0.00 N ATOM 644 CA ALA A 57 -11.302 6.711 4.422 1.00 0.00 C ATOM 645 C ALA A 57 -9.893 7.068 4.883 1.00 0.00 C ATOM 646 O ALA A 57 -9.673 7.382 6.053 1.00 0.00 O ATOM 647 CB ALA A 57 -12.340 7.406 5.295 1.00 0.00 C ATOM 0 H ALA A 57 -11.398 4.829 3.503 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.425 7.063 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.167 8.482 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.338 7.193 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.258 7.041 6.319 1.00 0.00 H new ATOM 653 N GLY A 58 -8.942 7.020 3.956 1.00 0.00 N ATOM 654 CA GLY A 58 -7.567 7.341 4.287 1.00 0.00 C ATOM 655 C GLY A 58 -6.597 6.947 3.188 1.00 0.00 C ATOM 656 O GLY A 58 -6.973 6.902 2.017 1.00 0.00 O ATOM 0 H GLY A 58 -9.100 6.764 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.482 8.411 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.291 6.832 5.211 1.00 0.00 H new ATOM 660 N PRO A 59 -5.333 6.656 3.537 1.00 0.00 N ATOM 661 CA PRO A 59 -4.312 6.266 2.559 1.00 0.00 C ATOM 662 C PRO A 59 -4.700 5.004 1.792 1.00 0.00 C ATOM 663 O PRO A 59 -4.422 4.878 0.599 1.00 0.00 O ATOM 664 CB PRO A 59 -3.066 6.004 3.414 1.00 0.00 C ATOM 665 CG PRO A 59 -3.314 6.731 4.692 1.00 0.00 C ATOM 666 CD PRO A 59 -4.798 6.687 4.909 1.00 0.00 C ATOM 0 HA PRO A 59 -4.167 7.035 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.924 4.937 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.165 6.369 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.784 6.259 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.958 7.760 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.097 5.807 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.151 7.558 5.460 1.00 0.00 H new ATOM 674 N GLY A 60 -5.344 4.073 2.488 1.00 0.00 N ATOM 675 CA GLY A 60 -5.759 2.830 1.864 1.00 0.00 C ATOM 676 C GLY A 60 -6.888 3.022 0.870 1.00 0.00 C ATOM 677 O GLY A 60 -6.830 2.514 -0.250 1.00 0.00 O ATOM 0 H GLY A 60 -5.586 4.157 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.906 2.381 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.076 2.129 2.636 1.00 0.00 H new ATOM 681 N ASP A 61 -7.917 3.754 1.280 1.00 0.00 N ATOM 682 CA ASP A 61 -9.062 4.013 0.417 1.00 0.00 C ATOM 683 C ASP A 61 -8.697 5.017 -0.666 1.00 0.00 C ATOM 684 O ASP A 61 -9.205 4.956 -1.786 1.00 0.00 O ATOM 685 CB ASP A 61 -10.241 4.532 1.241 1.00 0.00 C ATOM 686 CG ASP A 61 -11.513 3.745 0.994 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.609 3.089 -0.066 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.415 3.784 1.857 1.00 0.00 O ATOM 0 H ASP A 61 -7.982 4.179 2.205 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.352 3.077 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.988 4.485 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.414 5.581 1.001 1.00 0.00 H new ATOM 693 N LEU A 62 -7.810 5.943 -0.321 1.00 0.00 N ATOM 694 CA LEU A 62 -7.374 6.966 -1.257 1.00 0.00 C ATOM 695 C LEU A 62 -6.483 6.369 -2.344 1.00 0.00 C ATOM 696 O LEU A 62 -6.464 6.848 -3.476 1.00 0.00 O ATOM 697 CB LEU A 62 -6.623 8.078 -0.519 1.00 0.00 C ATOM 698 CG LEU A 62 -7.509 9.038 0.276 1.00 0.00 C ATOM 699 CD1 LEU A 62 -6.659 9.955 1.142 1.00 0.00 C ATOM 700 CD2 LEU A 62 -8.389 9.852 -0.661 1.00 0.00 C ATOM 0 H LEU A 62 -7.380 6.004 0.602 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.260 7.388 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.905 7.621 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.050 8.654 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.154 8.450 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.306 10.631 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.072 9.356 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.989 10.535 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.013 10.529 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.761 10.430 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.025 9.180 -1.238 1.00 0.00 H new ATOM 712 N GLY A 63 -5.748 5.321 -1.987 1.00 0.00 N ATOM 713 CA GLY A 63 -4.868 4.675 -2.942 1.00 0.00 C ATOM 714 C GLY A 63 -5.602 3.714 -3.855 1.00 0.00 C ATOM 715 O GLY A 63 -5.304 3.626 -5.045 1.00 0.00 O ATOM 0 H GLY A 63 -5.746 4.908 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.372 5.435 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.088 4.135 -2.404 1.00 0.00 H new ATOM 719 N GLY A 64 -6.567 2.991 -3.295 1.00 0.00 N ATOM 720 CA GLY A 64 -7.333 2.040 -4.080 1.00 0.00 C ATOM 721 C GLY A 64 -6.876 0.611 -3.867 1.00 0.00 C ATOM 722 O GLY A 64 -6.993 -0.225 -4.763 1.00 0.00 O ATOM 0 H GLY A 64 -6.832 3.047 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.388 2.124 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.246 2.292 -5.137 1.00 0.00 H new ATOM 726 N LEU A 65 -6.354 0.330 -2.678 1.00 0.00 N ATOM 727 CA LEU A 65 -5.876 -1.008 -2.349 1.00 0.00 C ATOM 728 C LEU A 65 -7.042 -1.932 -2.014 1.00 0.00 C ATOM 729 O LEU A 65 -7.920 -1.581 -1.228 1.00 0.00 O ATOM 730 CB LEU A 65 -4.902 -0.950 -1.172 1.00 0.00 C ATOM 731 CG LEU A 65 -3.670 -0.069 -1.397 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.658 1.095 -0.417 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.395 -0.888 -1.270 1.00 0.00 C ATOM 0 H LEU A 65 -6.251 1.011 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.357 -1.407 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.436 -0.585 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.570 -1.963 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.718 0.335 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.775 1.709 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.554 1.699 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.636 0.712 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.531 -0.244 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.340 -1.323 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.399 -1.685 -2.014 1.00 0.00 H new ATOM 745 N LYS A 66 -7.039 -3.117 -2.616 1.00 0.00 N ATOM 746 CA LYS A 66 -8.095 -4.094 -2.382 1.00 0.00 C ATOM 747 C LYS A 66 -7.655 -5.134 -1.353 1.00 0.00 C ATOM 748 O LYS A 66 -6.470 -5.249 -1.044 1.00 0.00 O ATOM 749 CB LYS A 66 -8.474 -4.785 -3.693 1.00 0.00 C ATOM 750 CG LYS A 66 -9.644 -4.131 -4.408 1.00 0.00 C ATOM 751 CD LYS A 66 -9.171 -3.101 -5.422 1.00 0.00 C ATOM 752 CE LYS A 66 -10.158 -2.956 -6.569 1.00 0.00 C ATOM 753 NZ LYS A 66 -10.117 -1.592 -7.165 1.00 0.00 N ATOM 0 H LYS A 66 -6.318 -3.423 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.966 -3.568 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.609 -4.787 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.721 -5.827 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.237 -4.894 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.296 -3.652 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.039 -2.138 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.197 -3.395 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.933 -3.695 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.166 -3.166 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.804 -1.533 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.356 -0.888 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.162 -1.401 -7.530 1.00 0.00 H new ATOM 767 N PRO A 67 -8.609 -5.908 -0.807 1.00 0.00 N ATOM 768 CA PRO A 67 -8.308 -6.942 0.189 1.00 0.00 C ATOM 769 C PRO A 67 -7.405 -8.035 -0.373 1.00 0.00 C ATOM 770 O PRO A 67 -7.576 -8.466 -1.514 1.00 0.00 O ATOM 771 CB PRO A 67 -9.685 -7.515 0.547 1.00 0.00 C ATOM 772 CG PRO A 67 -10.566 -7.150 -0.598 1.00 0.00 C ATOM 773 CD PRO A 67 -10.047 -5.840 -1.116 1.00 0.00 C ATOM 0 HA PRO A 67 -7.770 -6.536 1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.640 -8.596 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.057 -7.093 1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.536 -7.916 -1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.604 -7.060 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.225 -5.730 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.526 -4.993 -0.624 1.00 0.00 H new ATOM 781 N TYR A 68 -6.441 -8.474 0.439 1.00 0.00 N ATOM 782 CA TYR A 68 -5.494 -9.520 0.042 1.00 0.00 C ATOM 783 C TYR A 68 -4.337 -8.943 -0.771 1.00 0.00 C ATOM 784 O TYR A 68 -3.553 -9.684 -1.362 1.00 0.00 O ATOM 785 CB TYR A 68 -6.195 -10.629 -0.752 1.00 0.00 C ATOM 786 CG TYR A 68 -5.941 -12.014 -0.204 1.00 0.00 C ATOM 787 CD1 TYR A 68 -4.689 -12.603 -0.307 1.00 0.00 C ATOM 788 CD2 TYR A 68 -6.956 -12.729 0.419 1.00 0.00 C ATOM 789 CE1 TYR A 68 -4.454 -13.868 0.194 1.00 0.00 C ATOM 790 CE2 TYR A 68 -6.728 -13.994 0.924 1.00 0.00 C ATOM 791 CZ TYR A 68 -5.476 -14.560 0.810 1.00 0.00 C ATOM 792 OH TYR A 68 -5.244 -15.820 1.310 1.00 0.00 O ATOM 0 H TYR A 68 -6.295 -8.118 1.384 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.088 -9.952 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.268 -10.439 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.861 -10.590 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.886 -12.064 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.938 -12.289 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.474 -14.314 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.527 -14.538 1.406 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.067 -16.169 1.713 1.00 0.00 H new ATOM 802 N ASP A 69 -4.236 -7.616 -0.795 1.00 0.00 N ATOM 803 CA ASP A 69 -3.180 -6.929 -1.530 1.00 0.00 C ATOM 804 C ASP A 69 -1.804 -7.445 -1.127 1.00 0.00 C ATOM 805 O ASP A 69 -1.168 -6.909 -0.219 1.00 0.00 O ATOM 806 CB ASP A 69 -3.263 -5.421 -1.289 1.00 0.00 C ATOM 807 CG ASP A 69 -4.111 -4.718 -2.331 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.953 -5.389 -2.961 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.930 -3.495 -2.515 1.00 0.00 O ATOM 0 H ASP A 69 -4.880 -6.992 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.323 -7.131 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.680 -5.236 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.258 -4.998 -1.296 1.00 0.00 H new ATOM 814 N ARG A 70 -1.354 -8.487 -1.809 1.00 0.00 N ATOM 815 CA ARG A 70 -0.054 -9.081 -1.534 1.00 0.00 C ATOM 816 C ARG A 70 1.062 -8.173 -2.039 1.00 0.00 C ATOM 817 O ARG A 70 1.439 -8.229 -3.210 1.00 0.00 O ATOM 818 CB ARG A 70 0.029 -10.455 -2.194 1.00 0.00 C ATOM 819 CG ARG A 70 1.399 -11.110 -2.098 1.00 0.00 C ATOM 820 CD ARG A 70 1.349 -12.564 -2.540 1.00 0.00 C ATOM 821 NE ARG A 70 2.492 -12.922 -3.377 1.00 0.00 N ATOM 822 CZ ARG A 70 3.669 -13.320 -2.898 1.00 0.00 C ATOM 823 NH1 ARG A 70 3.870 -13.401 -1.588 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.652 -13.635 -3.732 1.00 0.00 N ATOM 0 H ARG A 70 -1.873 -8.941 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 70 0.067 -9.198 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.709 -11.112 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.242 -10.358 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.110 -10.564 -2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.761 -11.052 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.327 -13.209 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.426 -12.744 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 70 2.382 -12.864 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.120 -13.158 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.774 -13.707 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.506 -13.572 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.554 -13.940 -3.366 1.00 0.00 H new ATOM 838 N LEU A 71 1.583 -7.331 -1.151 1.00 0.00 N ATOM 839 CA LEU A 71 2.650 -6.402 -1.508 1.00 0.00 C ATOM 840 C LEU A 71 3.797 -7.123 -2.206 1.00 0.00 C ATOM 841 O LEU A 71 4.555 -7.862 -1.580 1.00 0.00 O ATOM 842 CB LEU A 71 3.173 -5.686 -0.260 1.00 0.00 C ATOM 843 CG LEU A 71 2.095 -5.172 0.700 1.00 0.00 C ATOM 844 CD1 LEU A 71 2.707 -4.256 1.748 1.00 0.00 C ATOM 845 CD2 LEU A 71 0.994 -4.448 -0.066 1.00 0.00 C ATOM 0 H LEU A 71 1.283 -7.273 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 71 2.234 -5.667 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.825 -6.369 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.787 -4.843 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 71 1.652 -6.029 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.927 -3.901 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.456 -4.805 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.178 -3.405 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.238 -4.091 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.421 -3.601 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.534 -5.134 -0.777 1.00 0.00 H new ATOM 857 N LEU A 72 3.915 -6.903 -3.512 1.00 0.00 N ATOM 858 CA LEU A 72 4.969 -7.530 -4.297 1.00 0.00 C ATOM 859 C LEU A 72 6.274 -6.750 -4.179 1.00 0.00 C ATOM 860 O LEU A 72 7.259 -7.247 -3.633 1.00 0.00 O ATOM 861 CB LEU A 72 4.546 -7.632 -5.765 1.00 0.00 C ATOM 862 CG LEU A 72 3.110 -8.114 -5.994 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.727 -7.970 -7.459 1.00 0.00 C ATOM 864 CD2 LEU A 72 2.953 -9.555 -5.539 1.00 0.00 C ATOM 0 H LEU A 72 3.294 -6.296 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 72 5.134 -8.533 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.663 -6.653 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.227 -8.311 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 72 2.439 -7.492 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.704 -8.317 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.800 -6.923 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.402 -8.567 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.927 -9.881 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.634 -10.191 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.185 -9.628 -4.477 1.00 0.00 H new ATOM 876 N GLN A 73 6.272 -5.522 -4.689 1.00 0.00 N ATOM 877 CA GLN A 73 7.454 -4.668 -4.639 1.00 0.00 C ATOM 878 C GLN A 73 7.088 -3.261 -4.180 1.00 0.00 C ATOM 879 O GLN A 73 6.065 -2.711 -4.592 1.00 0.00 O ATOM 880 CB GLN A 73 8.128 -4.609 -6.012 1.00 0.00 C ATOM 881 CG GLN A 73 8.318 -5.972 -6.657 1.00 0.00 C ATOM 882 CD GLN A 73 8.629 -5.876 -8.138 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.890 -6.396 -8.975 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.727 -5.208 -8.469 1.00 0.00 N ATOM 0 H GLN A 73 5.464 -5.096 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 73 8.151 -5.098 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.530 -3.983 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.100 -4.126 -5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.128 -6.499 -6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.415 -6.566 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.310 -4.793 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.988 -5.109 -9.450 1.00 0.00 H new ATOM 893 N VAL A 74 7.927 -2.682 -3.328 1.00 0.00 N ATOM 894 CA VAL A 74 7.688 -1.337 -2.818 1.00 0.00 C ATOM 895 C VAL A 74 8.693 -0.348 -3.398 1.00 0.00 C ATOM 896 O VAL A 74 9.868 -0.350 -3.027 1.00 0.00 O ATOM 897 CB VAL A 74 7.769 -1.295 -1.280 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.279 0.047 -0.758 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.970 -2.437 -0.670 1.00 0.00 C ATOM 0 H VAL A 74 8.777 -3.122 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 74 6.682 -1.054 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 74 8.812 -1.416 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.343 0.060 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.899 0.845 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.244 0.200 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.040 -2.390 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.926 -2.352 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.371 -3.389 -1.018 1.00 0.00 H new ATOM 909 N ASN A 75 8.225 0.495 -4.317 1.00 0.00 N ATOM 910 CA ASN A 75 9.078 1.493 -4.958 1.00 0.00 C ATOM 911 C ASN A 75 9.987 0.838 -5.991 1.00 0.00 C ATOM 912 O ASN A 75 9.948 1.173 -7.176 1.00 0.00 O ATOM 913 CB ASN A 75 9.917 2.243 -3.916 1.00 0.00 C ATOM 914 CG ASN A 75 9.665 3.740 -3.941 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.816 4.389 -4.976 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.279 4.293 -2.798 1.00 0.00 N ATOM 0 H ASN A 75 7.256 0.506 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 75 8.434 2.211 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.690 1.855 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.974 2.052 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.094 5.295 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.167 3.716 -1.965 1.00 0.00 H new ATOM 923 N HIS A 76 10.802 -0.098 -5.529 1.00 0.00 N ATOM 924 CA HIS A 76 11.729 -0.814 -6.399 1.00 0.00 C ATOM 925 C HIS A 76 12.322 -2.038 -5.697 1.00 0.00 C ATOM 926 O HIS A 76 12.962 -2.874 -6.333 1.00 0.00 O ATOM 927 CB HIS A 76 12.850 0.122 -6.858 1.00 0.00 C ATOM 928 CG HIS A 76 12.898 0.317 -8.341 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.362 -0.647 -9.213 1.00 0.00 N ATOM 930 CD2 HIS A 76 12.535 1.371 -9.109 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.282 -0.192 -10.451 1.00 0.00 C ATOM 932 NE2 HIS A 76 12.783 1.029 -10.416 1.00 0.00 N ATOM 0 H HIS A 76 10.842 -0.382 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 76 11.171 -1.162 -7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.722 1.091 -6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.807 -0.278 -6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.126 2.307 -8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.575 -0.729 -11.341 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.610 1.622 -11.227 1.00 0.00 H new ATOM 941 N VAL A 77 12.110 -2.139 -4.385 1.00 0.00 N ATOM 942 CA VAL A 77 12.628 -3.260 -3.613 1.00 0.00 C ATOM 943 C VAL A 77 11.677 -4.452 -3.663 1.00 0.00 C ATOM 944 O VAL A 77 10.497 -4.330 -3.330 1.00 0.00 O ATOM 945 CB VAL A 77 12.865 -2.867 -2.142 1.00 0.00 C ATOM 946 CG1 VAL A 77 11.558 -2.472 -1.471 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.543 -3.999 -1.384 1.00 0.00 C ATOM 0 H VAL A 77 11.584 -1.457 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 77 13.579 -3.541 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 77 13.529 -2.002 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.750 -2.199 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.122 -1.622 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.864 -3.312 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.701 -3.700 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 77 12.911 -4.886 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.504 -4.223 -1.847 1.00 0.00 H new ATOM 957 N ARG A 78 12.196 -5.604 -4.072 1.00 0.00 N ATOM 958 CA ARG A 78 11.390 -6.815 -4.155 1.00 0.00 C ATOM 959 C ARG A 78 11.022 -7.306 -2.759 1.00 0.00 C ATOM 960 O ARG A 78 11.895 -7.541 -1.923 1.00 0.00 O ATOM 961 CB ARG A 78 12.145 -7.909 -4.914 1.00 0.00 C ATOM 962 CG ARG A 78 11.823 -7.950 -6.399 1.00 0.00 C ATOM 963 CD ARG A 78 12.966 -8.555 -7.199 1.00 0.00 C ATOM 964 NE ARG A 78 12.779 -8.381 -8.637 1.00 0.00 N ATOM 965 CZ ARG A 78 11.914 -9.086 -9.365 1.00 0.00 C ATOM 966 NH1 ARG A 78 11.157 -10.014 -8.791 1.00 0.00 N ATOM 967 NH2 ARG A 78 11.806 -8.863 -10.667 1.00 0.00 N ATOM 0 H ARG A 78 13.170 -5.724 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 78 10.474 -6.581 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.217 -7.755 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.908 -8.877 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.916 -8.533 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.621 -6.940 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.905 -8.092 -6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.046 -9.618 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 78 13.344 -7.678 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.237 -10.189 -7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.496 -10.552 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.385 -8.151 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.144 -9.403 -11.224 1.00 0.00 H new ATOM 981 N THR A 79 9.726 -7.455 -2.508 1.00 0.00 N ATOM 982 CA THR A 79 9.250 -7.912 -1.210 1.00 0.00 C ATOM 983 C THR A 79 8.037 -8.823 -1.357 1.00 0.00 C ATOM 984 O THR A 79 7.152 -8.841 -0.501 1.00 0.00 O ATOM 985 CB THR A 79 8.898 -6.717 -0.322 1.00 0.00 C ATOM 986 OG1 THR A 79 7.663 -6.146 -0.718 1.00 0.00 O ATOM 987 CG2 THR A 79 9.941 -5.620 -0.353 1.00 0.00 C ATOM 0 H THR A 79 8.988 -7.266 -3.186 1.00 0.00 H new ATOM 0 HA THR A 79 10.052 -8.483 -0.742 1.00 0.00 H new ATOM 0 HB THR A 79 8.843 -7.116 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.454 -5.384 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.629 -4.803 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.896 -6.016 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.050 -5.250 -1.373 1.00 0.00 H new ATOM 995 N ARG A 80 8.000 -9.582 -2.447 1.00 0.00 N ATOM 996 CA ARG A 80 6.896 -10.499 -2.700 1.00 0.00 C ATOM 997 C ARG A 80 6.876 -11.615 -1.662 1.00 0.00 C ATOM 998 O ARG A 80 5.854 -11.865 -1.023 1.00 0.00 O ATOM 999 CB ARG A 80 7.006 -11.092 -4.106 1.00 0.00 C ATOM 1000 CG ARG A 80 6.243 -10.307 -5.162 1.00 0.00 C ATOM 1001 CD ARG A 80 6.562 -10.802 -6.564 1.00 0.00 C ATOM 1002 NE ARG A 80 6.058 -12.154 -6.796 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.120 -12.776 -7.971 1.00 0.00 C ATOM 1004 NH1 ARG A 80 6.662 -12.173 -9.022 1.00 0.00 N ATOM 1005 NH2 ARG A 80 5.638 -14.006 -8.095 1.00 0.00 N ATOM 0 H ARG A 80 8.721 -9.580 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 80 5.964 -9.939 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.057 -11.139 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.635 -12.117 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.172 -10.395 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.494 -9.249 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.126 -10.122 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.641 -10.786 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 80 5.634 -12.650 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.034 -11.228 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.707 -12.655 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.221 -14.474 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.685 -14.484 -8.995 1.00 0.00 H new ATOM 1019 N ASP A 81 8.016 -12.280 -1.495 1.00 0.00 N ATOM 1020 CA ASP A 81 8.135 -13.370 -0.533 1.00 0.00 C ATOM 1021 C ASP A 81 8.676 -12.866 0.807 1.00 0.00 C ATOM 1022 O ASP A 81 9.352 -13.599 1.526 1.00 0.00 O ATOM 1023 CB ASP A 81 9.048 -14.466 -1.085 1.00 0.00 C ATOM 1024 CG ASP A 81 8.272 -15.578 -1.765 1.00 0.00 C ATOM 1025 OD1 ASP A 81 7.377 -15.265 -2.577 1.00 0.00 O ATOM 1026 OD2 ASP A 81 8.560 -16.761 -1.484 1.00 0.00 O ATOM 0 H ASP A 81 8.871 -12.082 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 81 7.140 -13.782 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.748 -14.028 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.641 -14.885 -0.272 1.00 0.00 H new ATOM 1031 N PHE A 82 8.373 -11.613 1.133 1.00 0.00 N ATOM 1032 CA PHE A 82 8.829 -11.016 2.382 1.00 0.00 C ATOM 1033 C PHE A 82 7.933 -11.437 3.540 1.00 0.00 C ATOM 1034 O PHE A 82 6.909 -12.090 3.343 1.00 0.00 O ATOM 1035 CB PHE A 82 8.844 -9.490 2.262 1.00 0.00 C ATOM 1036 CG PHE A 82 10.197 -8.914 1.950 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.110 -9.623 1.186 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.553 -7.661 2.422 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.354 -9.091 0.900 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.794 -7.125 2.139 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.695 -7.841 1.376 1.00 0.00 C ATOM 0 H PHE A 82 7.813 -10.992 0.549 1.00 0.00 H new ATOM 0 HA PHE A 82 9.841 -11.369 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.144 -9.190 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.484 -9.059 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.847 -10.601 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.852 -7.097 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.058 -9.653 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.059 -6.147 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.665 -7.423 1.152 1.00 0.00 H new ATOM 1051 N ASP A 83 8.321 -11.049 4.750 1.00 0.00 N ATOM 1052 CA ASP A 83 7.548 -11.376 5.940 1.00 0.00 C ATOM 1053 C ASP A 83 6.876 -10.127 6.498 1.00 0.00 C ATOM 1054 O ASP A 83 7.306 -9.006 6.220 1.00 0.00 O ATOM 1055 CB ASP A 83 8.449 -12.005 7.006 1.00 0.00 C ATOM 1056 CG ASP A 83 9.128 -13.271 6.515 1.00 0.00 C ATOM 1057 OD1 ASP A 83 9.702 -13.244 5.405 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.086 -14.286 7.240 1.00 0.00 O ATOM 0 H ASP A 83 9.166 -10.508 4.931 1.00 0.00 H new ATOM 0 HA ASP A 83 6.778 -12.095 5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.207 -11.283 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.855 -12.234 7.891 1.00 0.00 H new ATOM 1063 N CYS A 84 5.821 -10.321 7.279 1.00 0.00 N ATOM 1064 CA CYS A 84 5.094 -9.203 7.869 1.00 0.00 C ATOM 1065 C CYS A 84 6.048 -8.254 8.585 1.00 0.00 C ATOM 1066 O CYS A 84 5.919 -7.034 8.486 1.00 0.00 O ATOM 1067 CB CYS A 84 4.035 -9.715 8.846 1.00 0.00 C ATOM 1068 SG CYS A 84 4.689 -10.778 10.155 1.00 0.00 S ATOM 0 H CYS A 84 5.450 -11.240 7.519 1.00 0.00 H new ATOM 0 HA CYS A 84 4.601 -8.656 7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.534 -8.861 9.303 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.279 -10.267 8.288 1.00 0.00 H new ATOM 0 HG CYS A 84 4.762 -12.002 9.724 1.00 0.00 H new ATOM 1074 N CYS A 85 7.009 -8.825 9.303 1.00 0.00 N ATOM 1075 CA CYS A 85 7.987 -8.034 10.033 1.00 0.00 C ATOM 1076 C CYS A 85 8.844 -7.203 9.081 1.00 0.00 C ATOM 1077 O CYS A 85 9.427 -6.194 9.478 1.00 0.00 O ATOM 1078 CB CYS A 85 8.878 -8.945 10.879 1.00 0.00 C ATOM 1079 SG CYS A 85 9.298 -8.265 12.502 1.00 0.00 S ATOM 0 H CYS A 85 7.130 -9.834 9.394 1.00 0.00 H new ATOM 0 HA CYS A 85 7.447 -7.352 10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.374 -9.902 11.017 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.799 -9.145 10.331 1.00 0.00 H new ATOM 0 HG CYS A 85 10.052 -9.108 13.144 1.00 0.00 H new ATOM 1085 N LEU A 86 8.919 -7.635 7.825 1.00 0.00 N ATOM 1086 CA LEU A 86 9.707 -6.929 6.819 1.00 0.00 C ATOM 1087 C LEU A 86 8.844 -5.931 6.055 1.00 0.00 C ATOM 1088 O LEU A 86 9.310 -4.864 5.649 1.00 0.00 O ATOM 1089 CB LEU A 86 10.332 -7.929 5.843 1.00 0.00 C ATOM 1090 CG LEU A 86 11.696 -8.477 6.264 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.550 -9.421 7.446 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.371 -9.181 5.096 1.00 0.00 C ATOM 0 H LEU A 86 8.444 -8.469 7.480 1.00 0.00 H new ATOM 0 HA LEU A 86 10.499 -6.381 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.645 -8.766 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.435 -7.448 4.870 1.00 0.00 H new ATOM 0 HG LEU A 86 12.324 -7.640 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.531 -9.801 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.109 -8.886 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.905 -10.254 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.341 -9.565 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.746 -10.008 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.511 -8.475 4.277 1.00 0.00 H new ATOM 1104 N VAL A 87 7.578 -6.285 5.868 1.00 0.00 N ATOM 1105 CA VAL A 87 6.643 -5.431 5.156 1.00 0.00 C ATOM 1106 C VAL A 87 6.169 -4.280 6.036 1.00 0.00 C ATOM 1107 O VAL A 87 5.964 -3.167 5.555 1.00 0.00 O ATOM 1108 CB VAL A 87 5.427 -6.235 4.656 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.456 -5.336 3.906 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.886 -7.387 3.777 1.00 0.00 C ATOM 0 H VAL A 87 7.177 -7.161 6.202 1.00 0.00 H new ATOM 0 HA VAL A 87 7.172 -5.020 4.296 1.00 0.00 H new ATOM 0 HB VAL A 87 4.904 -6.645 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.606 -5.925 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.105 -4.546 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.960 -4.892 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.018 -7.948 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.432 -6.995 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.538 -8.046 4.351 1.00 0.00 H new ATOM 1120 N VAL A 88 6.000 -4.549 7.328 1.00 0.00 N ATOM 1121 CA VAL A 88 5.554 -3.520 8.258 1.00 0.00 C ATOM 1122 C VAL A 88 6.479 -2.302 8.206 1.00 0.00 C ATOM 1123 O VAL A 88 6.020 -1.175 8.023 1.00 0.00 O ATOM 1124 CB VAL A 88 5.478 -4.053 9.705 1.00 0.00 C ATOM 1125 CG1 VAL A 88 5.145 -2.933 10.682 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.452 -5.173 9.807 1.00 0.00 C ATOM 0 H VAL A 88 6.164 -5.463 7.750 1.00 0.00 H new ATOM 0 HA VAL A 88 4.552 -3.223 7.950 1.00 0.00 H new ATOM 0 HB VAL A 88 6.457 -4.453 9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.097 -3.335 11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.917 -2.165 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.182 -2.496 10.420 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.412 -5.537 10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.471 -4.796 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.737 -5.989 9.144 1.00 0.00 H new ATOM 1136 N PRO A 89 7.803 -2.510 8.353 1.00 0.00 N ATOM 1137 CA PRO A 89 8.777 -1.416 8.307 1.00 0.00 C ATOM 1138 C PRO A 89 8.902 -0.824 6.907 1.00 0.00 C ATOM 1139 O PRO A 89 8.952 0.395 6.741 1.00 0.00 O ATOM 1140 CB PRO A 89 10.088 -2.083 8.725 1.00 0.00 C ATOM 1141 CG PRO A 89 9.912 -3.517 8.364 1.00 0.00 C ATOM 1142 CD PRO A 89 8.453 -3.817 8.571 1.00 0.00 C ATOM 0 HA PRO A 89 8.489 -0.584 8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.939 -1.645 8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.271 -1.963 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.205 -3.699 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.535 -4.157 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.093 -4.568 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.259 -4.200 9.573 1.00 0.00 H new ATOM 1150 N LEU A 90 8.949 -1.694 5.900 1.00 0.00 N ATOM 1151 CA LEU A 90 9.063 -1.251 4.516 1.00 0.00 C ATOM 1152 C LEU A 90 7.952 -0.265 4.170 1.00 0.00 C ATOM 1153 O LEU A 90 8.138 0.638 3.355 1.00 0.00 O ATOM 1154 CB LEU A 90 9.016 -2.449 3.567 1.00 0.00 C ATOM 1155 CG LEU A 90 10.333 -3.213 3.425 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.081 -4.633 2.941 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.273 -2.481 2.478 1.00 0.00 C ATOM 0 H LEU A 90 8.910 -2.706 6.018 1.00 0.00 H new ATOM 0 HA LEU A 90 10.022 -0.746 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.248 -3.140 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.707 -2.101 2.581 1.00 0.00 H new ATOM 0 HG LEU A 90 10.806 -3.268 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.031 -5.159 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.447 -5.155 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.584 -4.604 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.206 -3.038 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.806 -2.394 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.481 -1.485 2.870 1.00 0.00 H new ATOM 1169 N ILE A 91 6.796 -0.444 4.801 1.00 0.00 N ATOM 1170 CA ILE A 91 5.654 0.431 4.569 1.00 0.00 C ATOM 1171 C ILE A 91 5.811 1.745 5.334 1.00 0.00 C ATOM 1172 O ILE A 91 5.600 2.825 4.783 1.00 0.00 O ATOM 1173 CB ILE A 91 4.332 -0.250 4.989 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.063 -1.477 4.114 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.166 0.728 4.905 1.00 0.00 C ATOM 1176 CD1 ILE A 91 3.054 -2.433 4.711 1.00 0.00 C ATOM 0 H ILE A 91 6.626 -1.188 5.478 1.00 0.00 H new ATOM 0 HA ILE A 91 5.619 0.639 3.500 1.00 0.00 H new ATOM 0 HB ILE A 91 4.430 -0.574 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.706 -1.147 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.000 -2.008 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.247 0.225 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.351 1.573 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.065 1.087 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.912 -3.279 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.418 -2.792 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.104 -1.918 4.852 1.00 0.00 H new ATOM 1188 N ALA A 92 6.168 1.639 6.610 1.00 0.00 N ATOM 1189 CA ALA A 92 6.339 2.806 7.461 1.00 0.00 C ATOM 1190 C ALA A 92 7.615 3.583 7.135 1.00 0.00 C ATOM 1191 O ALA A 92 7.870 4.636 7.719 1.00 0.00 O ATOM 1192 CB ALA A 92 6.337 2.389 8.924 1.00 0.00 C ATOM 0 H ALA A 92 6.345 0.750 7.078 1.00 0.00 H new ATOM 0 HA ALA A 92 5.499 3.473 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.466 3.270 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.389 1.907 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.155 1.691 9.105 1.00 0.00 H new ATOM 1198 N GLU A 93 8.417 3.066 6.208 1.00 0.00 N ATOM 1199 CA GLU A 93 9.660 3.731 5.828 1.00 0.00 C ATOM 1200 C GLU A 93 9.570 4.333 4.426 1.00 0.00 C ATOM 1201 O GLU A 93 10.498 5.001 3.970 1.00 0.00 O ATOM 1202 CB GLU A 93 10.832 2.748 5.899 1.00 0.00 C ATOM 1203 CG GLU A 93 10.723 1.598 4.915 1.00 0.00 C ATOM 1204 CD GLU A 93 11.438 1.879 3.607 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.674 1.703 3.558 1.00 0.00 O ATOM 1206 OE2 GLU A 93 10.763 2.274 2.633 1.00 0.00 O ATOM 0 H GLU A 93 8.231 2.196 5.710 1.00 0.00 H new ATOM 0 HA GLU A 93 9.828 4.544 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.760 3.288 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.896 2.345 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.140 0.698 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.671 1.396 4.713 1.00 0.00 H new ATOM 1213 N SER A 94 8.450 4.097 3.746 1.00 0.00 N ATOM 1214 CA SER A 94 8.254 4.625 2.400 1.00 0.00 C ATOM 1215 C SER A 94 8.220 6.150 2.407 1.00 0.00 C ATOM 1216 O SER A 94 8.395 6.791 1.371 1.00 0.00 O ATOM 1217 CB SER A 94 6.958 4.078 1.800 1.00 0.00 C ATOM 1218 OG SER A 94 5.841 4.849 2.209 1.00 0.00 O ATOM 0 H SER A 94 7.669 3.547 4.103 1.00 0.00 H new ATOM 0 HA SER A 94 9.096 4.304 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.027 4.081 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.820 3.041 2.107 1.00 0.00 H new ATOM 0 HG SER A 94 5.875 5.728 1.778 1.00 0.00 H new ATOM 1224 N GLY A 95 7.992 6.721 3.580 1.00 0.00 N ATOM 1225 CA GLY A 95 7.935 8.166 3.707 1.00 0.00 C ATOM 1226 C GLY A 95 6.514 8.694 3.671 1.00 0.00 C ATOM 1227 O GLY A 95 5.594 8.048 4.172 1.00 0.00 O ATOM 0 H GLY A 95 7.845 6.209 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.407 8.465 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.510 8.622 2.901 1.00 0.00 H new ATOM 1231 N ASN A 96 6.335 9.868 3.077 1.00 0.00 N ATOM 1232 CA ASN A 96 5.016 10.481 2.977 1.00 0.00 C ATOM 1233 C ASN A 96 4.148 9.774 1.936 1.00 0.00 C ATOM 1234 O ASN A 96 2.956 10.055 1.819 1.00 0.00 O ATOM 1235 CB ASN A 96 5.148 11.964 2.624 1.00 0.00 C ATOM 1236 CG ASN A 96 5.056 12.858 3.844 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.965 13.140 4.339 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.204 13.312 4.334 1.00 0.00 N ATOM 0 H ASN A 96 7.087 10.415 2.657 1.00 0.00 H new ATOM 0 HA ASN A 96 4.529 10.382 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.102 12.132 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.365 12.237 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.204 13.920 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.086 13.052 3.891 1.00 0.00 H new ATOM 1245 N LYS A 97 4.749 8.857 1.180 1.00 0.00 N ATOM 1246 CA LYS A 97 4.022 8.121 0.154 1.00 0.00 C ATOM 1247 C LYS A 97 4.521 6.685 0.054 1.00 0.00 C ATOM 1248 O LYS A 97 5.701 6.413 0.277 1.00 0.00 O ATOM 1249 CB LYS A 97 4.167 8.816 -1.202 1.00 0.00 C ATOM 1250 CG LYS A 97 3.263 10.027 -1.368 1.00 0.00 C ATOM 1251 CD LYS A 97 3.941 11.123 -2.173 1.00 0.00 C ATOM 1252 CE LYS A 97 3.954 10.799 -3.659 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.644 11.993 -4.491 1.00 0.00 N ATOM 0 H LYS A 97 5.735 8.608 1.260 1.00 0.00 H new ATOM 0 HA LYS A 97 2.969 8.102 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.204 9.127 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.948 8.099 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.340 9.728 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.987 10.413 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.423 12.068 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.964 11.255 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.933 10.408 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.227 10.014 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.663 11.730 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.699 12.352 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.353 12.733 -4.314 1.00 0.00 H new ATOM 1267 N LEU A 98 3.619 5.767 -0.283 1.00 0.00 N ATOM 1268 CA LEU A 98 3.980 4.360 -0.412 1.00 0.00 C ATOM 1269 C LEU A 98 3.600 3.820 -1.787 1.00 0.00 C ATOM 1270 O LEU A 98 2.455 3.431 -2.019 1.00 0.00 O ATOM 1271 CB LEU A 98 3.295 3.525 0.677 1.00 0.00 C ATOM 1272 CG LEU A 98 4.171 2.453 1.336 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.300 1.399 1.997 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.104 1.808 0.318 1.00 0.00 C ATOM 0 H LEU A 98 2.638 5.972 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 98 5.061 4.284 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.931 4.199 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.422 3.039 0.242 1.00 0.00 H new ATOM 0 HG LEU A 98 4.784 2.934 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.933 0.643 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.676 1.868 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.665 0.929 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.714 1.052 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.515 1.341 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.752 2.570 -0.116 1.00 0.00 H new ATOM 1286 N ASP A 99 4.574 3.782 -2.692 1.00 0.00 N ATOM 1287 CA ASP A 99 4.347 3.268 -4.036 1.00 0.00 C ATOM 1288 C ASP A 99 4.746 1.799 -4.097 1.00 0.00 C ATOM 1289 O ASP A 99 5.899 1.455 -3.845 1.00 0.00 O ATOM 1290 CB ASP A 99 5.148 4.074 -5.062 1.00 0.00 C ATOM 1291 CG ASP A 99 5.022 5.571 -4.847 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.037 5.999 -4.210 1.00 0.00 O ATOM 1293 OD2 ASP A 99 5.910 6.314 -5.315 1.00 0.00 O ATOM 0 H ASP A 99 5.527 4.101 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 99 3.288 3.364 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.198 3.788 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.804 3.824 -6.066 1.00 0.00 H new ATOM 1298 N LEU A 100 3.789 0.933 -4.404 1.00 0.00 N ATOM 1299 CA LEU A 100 4.065 -0.499 -4.459 1.00 0.00 C ATOM 1300 C LEU A 100 3.173 -1.223 -5.462 1.00 0.00 C ATOM 1301 O LEU A 100 2.197 -0.670 -5.962 1.00 0.00 O ATOM 1302 CB LEU A 100 3.866 -1.113 -3.076 1.00 0.00 C ATOM 1303 CG LEU A 100 2.568 -0.711 -2.375 1.00 0.00 C ATOM 1304 CD1 LEU A 100 2.013 -1.872 -1.568 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.800 0.498 -1.481 1.00 0.00 C ATOM 0 H LEU A 100 2.825 1.191 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 100 5.098 -0.618 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.890 -2.199 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.707 -0.828 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 100 1.835 -0.443 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.089 -1.565 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.809 -2.712 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.741 -2.173 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.866 0.771 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.549 0.255 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.151 1.335 -2.085 1.00 0.00 H new ATOM 1317 N VAL A 101 3.518 -2.481 -5.723 1.00 0.00 N ATOM 1318 CA VAL A 101 2.759 -3.326 -6.636 1.00 0.00 C ATOM 1319 C VAL A 101 2.214 -4.531 -5.881 1.00 0.00 C ATOM 1320 O VAL A 101 2.970 -5.411 -5.475 1.00 0.00 O ATOM 1321 CB VAL A 101 3.632 -3.814 -7.808 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.785 -4.552 -8.834 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.363 -2.647 -8.452 1.00 0.00 C ATOM 0 H VAL A 101 4.329 -2.941 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 101 1.940 -2.733 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 101 4.376 -4.508 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.419 -4.889 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.312 -5.414 -8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.017 -3.883 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.974 -3.012 -9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.637 -1.926 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.002 -2.165 -7.712 1.00 0.00 H new ATOM 1333 N ILE A 102 0.902 -4.557 -5.675 1.00 0.00 N ATOM 1334 CA ILE A 102 0.265 -5.648 -4.945 1.00 0.00 C ATOM 1335 C ILE A 102 -0.425 -6.621 -5.890 1.00 0.00 C ATOM 1336 O ILE A 102 -0.831 -6.243 -6.984 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.782 -5.107 -3.952 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.960 -4.495 -4.718 1.00 0.00 C ATOM 1339 CG2 ILE A 102 -0.156 -4.082 -3.016 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -3.047 -5.497 -5.045 1.00 0.00 C ATOM 0 H ILE A 102 0.259 -3.836 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 102 1.055 -6.169 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.151 -5.934 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.388 -3.685 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.592 -4.053 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.912 -3.713 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.654 -4.548 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.239 -3.250 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.850 -4.998 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.633 -6.294 -5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.441 -5.921 -4.121 1.00 0.00 H new ATOM 1352 N SER A 103 -0.574 -7.866 -5.448 1.00 0.00 N ATOM 1353 CA SER A 103 -1.235 -8.894 -6.246 1.00 0.00 C ATOM 1354 C SER A 103 -2.298 -9.609 -5.419 1.00 0.00 C ATOM 1355 O SER A 103 -2.014 -10.113 -4.334 1.00 0.00 O ATOM 1356 CB SER A 103 -0.212 -9.905 -6.770 1.00 0.00 C ATOM 1357 OG SER A 103 -0.701 -10.576 -7.919 1.00 0.00 O ATOM 0 H SER A 103 -0.245 -8.188 -4.538 1.00 0.00 H new ATOM 0 HA SER A 103 -1.717 -8.410 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.719 -9.393 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.018 -10.632 -5.991 1.00 0.00 H new ATOM 0 HG SER A 103 0.050 -10.823 -8.498 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.526 -9.645 -5.925 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.616 -10.297 -5.207 1.00 0.00 C ATOM 1365 C ARG A 104 -5.664 -10.861 -6.160 1.00 0.00 C ATOM 1366 O ARG A 104 -6.199 -10.148 -7.007 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.275 -9.306 -4.245 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.675 -7.996 -4.906 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.084 -7.578 -4.518 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.841 -7.074 -5.663 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.508 -7.851 -6.515 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -8.515 -9.168 -6.358 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -9.170 -7.306 -7.526 1.00 0.00 N ATOM 0 H ARG A 104 -3.791 -9.235 -6.821 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.190 -11.129 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.160 -9.769 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.588 -9.096 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.972 -7.214 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.612 -8.101 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.608 -8.429 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.035 -6.808 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.859 -6.066 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.008 -9.592 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.028 -9.757 -7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.168 -6.294 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.681 -7.899 -8.180 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.958 -12.149 -6.003 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.951 -12.818 -6.833 1.00 0.00 C ATOM 1389 C ASN A 105 -8.361 -12.380 -6.437 1.00 0.00 C ATOM 1390 O ASN A 105 -8.657 -12.225 -5.253 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.819 -14.335 -6.690 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.815 -14.779 -5.241 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.775 -15.147 -4.696 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.982 -14.745 -4.609 1.00 0.00 N ATOM 0 H ASN A 105 -5.520 -12.751 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.777 -12.541 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.643 -14.820 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.898 -14.664 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.041 -15.031 -3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.819 -14.433 -5.101 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.254 -12.172 -7.421 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.630 -11.749 -7.153 1.00 0.00 C ATOM 1403 C PRO A 106 -11.497 -12.893 -6.634 1.00 0.00 C ATOM 1404 O PRO A 106 -12.496 -12.609 -5.941 1.00 0.00 O ATOM 1405 CB PRO A 106 -11.123 -11.280 -8.520 1.00 0.00 C ATOM 1406 CG PRO A 106 -10.343 -12.087 -9.498 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.997 -12.329 -8.868 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.169 -14.063 -6.927 1.00 0.00 O ATOM 0 HA PRO A 106 -10.681 -10.983 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.194 -11.447 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.950 -10.213 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.846 -13.029 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.240 -11.557 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.619 -13.324 -9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.255 -11.614 -9.223 1.00 0.00 H new