USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 35 LYS NZ :NH3+ -137:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 ASN :FLIP amide:sc= -2.4 F(o=-3.5,f=-2.4) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0078) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.228! (180deg=-0.41!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0824 K(o=-0.082,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -170:sc= -1.28 USER MOD Single : A 33 SER OG : rot 180:sc= -0.159 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 52 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.23) USER MOD Single : A 54 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.6!) USER MOD Single : A 57 THR OG1 : rot 25:sc= 0.859 USER MOD Single : A 58 CYS SG : rot 7:sc= -0.58 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.1! C(o=-8.1!,f=-13!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0748 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.293 K(o=-0.29,f=-0.88) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 1.02 K(o=1,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 86:sc= 1.09 USER MOD Single : A 98 ASN : amide:sc= -3.12! C(o=-3.1!,f=-5!) USER MOD Single : A 99 SER OG : rot 111:sc= 0.021 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= 0.292 (180deg=0.0693) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.657 -3.140 2.967 1.00 0.00 N ATOM 67 CA TYR A 8 -13.055 -4.232 3.723 1.00 0.00 C ATOM 68 C TYR A 8 -12.220 -3.696 4.882 1.00 0.00 C ATOM 69 O TYR A 8 -12.296 -4.200 6.002 1.00 0.00 O ATOM 70 CB TYR A 8 -12.184 -5.094 2.808 1.00 0.00 C ATOM 71 CG TYR A 8 -12.961 -6.143 2.045 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.045 -5.792 1.250 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.611 -7.485 2.119 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.758 -6.747 0.552 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.317 -8.448 1.423 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.390 -8.073 0.641 1.00 0.00 C ATOM 77 OH TYR A 8 -15.097 -9.028 -0.054 1.00 0.00 O ATOM 0 HA TYR A 8 -13.859 -4.845 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.668 -4.448 2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.418 -5.586 3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.335 -4.754 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.772 -7.781 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.599 -6.457 -0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.031 -9.487 1.491 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.708 -9.911 0.116 1.00 0.00 H new ATOM 87 N GLY A 9 -11.423 -2.669 4.604 1.00 0.00 N ATOM 88 CA GLY A 9 -10.585 -2.080 5.632 1.00 0.00 C ATOM 89 C GLY A 9 -9.241 -1.629 5.096 1.00 0.00 C ATOM 90 O GLY A 9 -8.782 -2.114 4.062 1.00 0.00 O ATOM 0 H GLY A 9 -11.343 -2.234 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.101 -1.227 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.429 -2.806 6.430 1.00 0.00 H new ATOM 94 N SER A 10 -8.608 -0.696 5.801 1.00 0.00 N ATOM 95 CA SER A 10 -7.310 -0.175 5.387 1.00 0.00 C ATOM 96 C SER A 10 -6.177 -0.940 6.063 1.00 0.00 C ATOM 97 O SER A 10 -5.091 -1.083 5.502 1.00 0.00 O ATOM 98 CB SER A 10 -7.206 1.315 5.720 1.00 0.00 C ATOM 99 OG SER A 10 -8.401 1.998 5.384 1.00 0.00 O ATOM 0 H SER A 10 -8.973 -0.286 6.661 1.00 0.00 H new ATOM 0 HA SER A 10 -7.220 -0.306 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.999 1.440 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.368 1.754 5.179 1.00 0.00 H new ATOM 0 HG SER A 10 -8.309 2.948 5.608 1.00 0.00 H new ATOM 105 N GLU A 11 -6.439 -1.429 7.271 1.00 0.00 N ATOM 106 CA GLU A 11 -5.440 -2.178 8.024 1.00 0.00 C ATOM 107 C GLU A 11 -5.886 -3.623 8.230 1.00 0.00 C ATOM 108 O GLU A 11 -7.027 -3.885 8.610 1.00 0.00 O ATOM 109 CB GLU A 11 -5.185 -1.513 9.378 1.00 0.00 C ATOM 110 CG GLU A 11 -4.532 -0.145 9.271 1.00 0.00 C ATOM 111 CD GLU A 11 -5.545 0.976 9.141 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.510 0.998 9.934 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.374 1.830 8.246 1.00 0.00 O ATOM 0 H GLU A 11 -7.334 -1.320 7.749 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.514 -2.180 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.132 -1.414 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.550 -2.164 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.914 0.029 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.867 -0.131 8.408 1.00 0.00 H new ATOM 120 N LYS A 12 -4.977 -4.558 7.976 1.00 0.00 N ATOM 121 CA LYS A 12 -5.274 -5.977 8.133 1.00 0.00 C ATOM 122 C LYS A 12 -4.018 -6.757 8.508 1.00 0.00 C ATOM 123 O LYS A 12 -3.031 -6.757 7.772 1.00 0.00 O ATOM 124 CB LYS A 12 -5.871 -6.541 6.842 1.00 0.00 C ATOM 125 CG LYS A 12 -6.009 -8.054 6.845 1.00 0.00 C ATOM 126 CD LYS A 12 -6.050 -8.613 5.433 1.00 0.00 C ATOM 127 CE LYS A 12 -6.321 -10.109 5.434 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.768 -10.411 5.612 1.00 0.00 N ATOM 0 H LYS A 12 -4.028 -4.359 7.660 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.001 -6.083 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.853 -6.095 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.244 -6.244 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.173 -8.495 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.918 -8.336 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.824 -8.102 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.101 -8.414 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.973 -10.542 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.751 -10.581 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.911 -11.441 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.095 -10.020 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.310 -9.983 4.835 1.00 0.00 H new ATOM 142 N LYS A 13 -4.062 -7.424 9.657 1.00 0.00 N ATOM 143 CA LYS A 13 -2.929 -8.211 10.129 1.00 0.00 C ATOM 144 C LYS A 13 -3.229 -9.704 10.040 1.00 0.00 C ATOM 145 O LYS A 13 -4.098 -10.216 10.745 1.00 0.00 O ATOM 146 CB LYS A 13 -2.585 -7.834 11.572 1.00 0.00 C ATOM 147 CG LYS A 13 -1.474 -8.678 12.172 1.00 0.00 C ATOM 148 CD LYS A 13 -1.042 -8.147 13.529 1.00 0.00 C ATOM 149 CE LYS A 13 0.140 -8.927 14.082 1.00 0.00 C ATOM 150 NZ LYS A 13 -0.245 -10.310 14.479 1.00 0.00 N ATOM 0 H LYS A 13 -4.871 -7.435 10.278 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.074 -7.991 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.291 -6.785 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.479 -7.934 12.188 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.814 -9.709 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.619 -8.690 11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.775 -7.094 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.877 -8.207 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.929 -8.971 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.550 -8.402 14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.580 -10.798 14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.004 -10.269 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.580 -10.830 13.643 1.00 0.00 H new ATOM 164 N GLY A 14 -2.503 -10.399 9.169 1.00 0.00 N ATOM 165 CA GLY A 14 -2.706 -11.826 9.005 1.00 0.00 C ATOM 166 C GLY A 14 -1.453 -12.541 8.541 1.00 0.00 C ATOM 167 O GLY A 14 -0.355 -12.261 9.024 1.00 0.00 O ATOM 0 H GLY A 14 -1.778 -9.998 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.035 -12.254 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.505 -11.995 8.284 1.00 0.00 H new ATOM 171 N TYR A 15 -1.615 -13.467 7.602 1.00 0.00 N ATOM 172 CA TYR A 15 -0.488 -14.227 7.076 1.00 0.00 C ATOM 173 C TYR A 15 -0.606 -14.400 5.565 1.00 0.00 C ATOM 174 O TYR A 15 -1.708 -14.467 5.020 1.00 0.00 O ATOM 175 CB TYR A 15 -0.408 -15.596 7.753 1.00 0.00 C ATOM 176 CG TYR A 15 0.289 -15.569 9.094 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.279 -14.915 10.181 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.516 -16.195 9.275 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.354 -14.887 11.408 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.155 -16.174 10.499 1.00 0.00 C ATOM 181 CZ TYR A 15 1.571 -15.518 11.563 1.00 0.00 C ATOM 182 OH TYR A 15 2.205 -15.493 12.783 1.00 0.00 O ATOM 0 H TYR A 15 -2.516 -13.709 7.190 1.00 0.00 H new ATOM 0 HA TYR A 15 0.424 -13.670 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.417 -15.986 7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.117 -16.288 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.232 -14.420 10.064 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.978 -16.707 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.101 -14.374 12.242 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.107 -16.669 10.623 1.00 0.00 H new ATOM 0 HH TYR A 15 3.050 -15.985 12.722 1.00 0.00 H new ATOM 192 N LEU A 16 0.538 -14.472 4.893 1.00 0.00 N ATOM 193 CA LEU A 16 0.565 -14.639 3.444 1.00 0.00 C ATOM 194 C LEU A 16 1.726 -15.533 3.020 1.00 0.00 C ATOM 195 O LEU A 16 2.568 -15.905 3.839 1.00 0.00 O ATOM 196 CB LEU A 16 0.678 -13.277 2.757 1.00 0.00 C ATOM 197 CG LEU A 16 -0.642 -12.571 2.444 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.390 -11.135 2.013 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.409 -13.326 1.368 1.00 0.00 C ATOM 0 H LEU A 16 1.459 -14.417 5.328 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.366 -15.117 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.276 -12.622 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.227 -13.407 1.825 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.247 -12.556 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.341 -10.649 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.116 -10.598 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.235 -11.127 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.345 -12.809 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.809 -13.373 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.622 -14.337 1.715 1.00 0.00 H new ATOM 211 N LEU A 17 1.766 -15.872 1.737 1.00 0.00 N ATOM 212 CA LEU A 17 2.826 -16.721 1.203 1.00 0.00 C ATOM 213 C LEU A 17 3.823 -15.901 0.391 1.00 0.00 C ATOM 214 O LEU A 17 3.487 -14.844 -0.142 1.00 0.00 O ATOM 215 CB LEU A 17 2.229 -17.828 0.331 1.00 0.00 C ATOM 216 CG LEU A 17 1.246 -18.772 1.025 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.679 -19.775 0.032 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.923 -19.490 2.183 1.00 0.00 C ATOM 0 H LEU A 17 1.077 -15.573 1.047 1.00 0.00 H new ATOM 0 HA LEU A 17 3.354 -17.173 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.721 -17.363 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.047 -18.423 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 17 0.422 -18.180 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.018 -20.439 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.157 -19.244 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.491 -20.362 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.209 -20.157 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.766 -20.071 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.280 -18.757 2.907 1.00 0.00 H new ATOM 230 N LYS A 18 5.053 -16.397 0.300 1.00 0.00 N ATOM 231 CA LYS A 18 6.100 -15.713 -0.450 1.00 0.00 C ATOM 232 C LYS A 18 6.931 -16.708 -1.254 1.00 0.00 C ATOM 233 O LYS A 18 7.359 -17.739 -0.735 1.00 0.00 O ATOM 234 CB LYS A 18 7.006 -14.927 0.501 1.00 0.00 C ATOM 235 CG LYS A 18 7.613 -13.684 -0.127 1.00 0.00 C ATOM 236 CD LYS A 18 8.291 -12.809 0.914 1.00 0.00 C ATOM 237 CE LYS A 18 9.048 -11.659 0.267 1.00 0.00 C ATOM 238 NZ LYS A 18 8.179 -10.466 0.066 1.00 0.00 N ATOM 0 H LYS A 18 5.349 -17.270 0.736 1.00 0.00 H new ATOM 0 HA LYS A 18 5.623 -15.020 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.431 -14.636 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.809 -15.579 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.338 -13.976 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.834 -13.113 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.543 -12.413 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.980 -13.412 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.899 -11.387 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.448 -11.983 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.494 -9.945 -0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.194 -10.772 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.242 -9.846 0.899 1.00 0.00 H new ATOM 252 N LYS A 19 7.158 -16.391 -2.525 1.00 0.00 N ATOM 253 CA LYS A 19 7.940 -17.255 -3.401 1.00 0.00 C ATOM 254 C LYS A 19 9.432 -17.109 -3.118 1.00 0.00 C ATOM 255 O LYS A 19 9.918 -16.011 -2.850 1.00 0.00 O ATOM 256 CB LYS A 19 7.654 -16.922 -4.867 1.00 0.00 C ATOM 257 CG LYS A 19 8.345 -17.853 -5.848 1.00 0.00 C ATOM 258 CD LYS A 19 7.805 -17.678 -7.258 1.00 0.00 C ATOM 259 CE LYS A 19 6.624 -18.600 -7.521 1.00 0.00 C ATOM 260 NZ LYS A 19 6.074 -18.418 -8.893 1.00 0.00 N ATOM 0 H LYS A 19 6.811 -15.542 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 19 7.650 -18.287 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.578 -16.962 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.970 -15.898 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.418 -17.659 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.206 -18.886 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.499 -16.642 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.596 -17.883 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.936 -19.636 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.842 -18.406 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.271 -19.064 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.753 -17.436 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.813 -18.627 -9.594 1.00 0.00 H new ATOM 385 N TRP A 27 6.822 -21.872 -3.030 1.00 0.00 N ATOM 386 CA TRP A 27 6.094 -20.946 -2.171 1.00 0.00 C ATOM 387 C TRP A 27 6.272 -21.311 -0.701 1.00 0.00 C ATOM 388 O TRP A 27 6.209 -22.483 -0.332 1.00 0.00 O ATOM 389 CB TRP A 27 4.607 -20.945 -2.532 1.00 0.00 C ATOM 390 CG TRP A 27 4.316 -20.288 -3.847 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.161 -20.906 -5.055 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.146 -18.887 -4.086 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.905 -19.973 -6.031 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.890 -18.727 -5.462 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.183 -17.752 -3.271 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.674 -17.478 -6.038 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.969 -16.513 -3.845 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.716 -16.384 -5.217 1.00 0.00 C ATOM 0 HA TRP A 27 6.501 -19.947 -2.330 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.246 -21.973 -2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.050 -20.433 -1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.230 -21.971 -5.219 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.751 -20.175 -7.019 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.375 -17.842 -2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.480 -17.376 -7.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.997 -15.629 -3.225 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.551 -15.402 -5.635 1.00 0.00 H new ATOM 409 N GLN A 28 6.496 -20.300 0.132 1.00 0.00 N ATOM 410 CA GLN A 28 6.684 -20.517 1.562 1.00 0.00 C ATOM 411 C GLN A 28 5.707 -19.673 2.374 1.00 0.00 C ATOM 412 O GLN A 28 5.297 -18.595 1.944 1.00 0.00 O ATOM 413 CB GLN A 28 8.122 -20.183 1.965 1.00 0.00 C ATOM 414 CG GLN A 28 9.164 -21.038 1.263 1.00 0.00 C ATOM 415 CD GLN A 28 9.313 -22.410 1.890 1.00 0.00 C ATOM 416 OE1 GLN A 28 8.893 -22.635 3.025 1.00 0.00 O ATOM 417 NE2 GLN A 28 9.914 -23.337 1.153 1.00 0.00 N ATOM 0 H GLN A 28 6.552 -19.324 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 28 6.490 -21.569 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.318 -19.133 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.227 -20.308 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.889 -21.150 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.126 -20.525 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.247 -23.107 0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.043 -24.279 1.523 1.00 0.00 H new ATOM 426 N ARG A 29 5.338 -20.171 3.549 1.00 0.00 N ATOM 427 CA ARG A 29 4.407 -19.464 4.420 1.00 0.00 C ATOM 428 C ARG A 29 5.146 -18.472 5.314 1.00 0.00 C ATOM 429 O ARG A 29 6.147 -18.816 5.944 1.00 0.00 O ATOM 430 CB ARG A 29 3.625 -20.458 5.281 1.00 0.00 C ATOM 431 CG ARG A 29 2.766 -19.796 6.347 1.00 0.00 C ATOM 432 CD ARG A 29 3.541 -19.594 7.639 1.00 0.00 C ATOM 433 NE ARG A 29 3.416 -20.739 8.538 1.00 0.00 N ATOM 434 CZ ARG A 29 4.067 -20.842 9.691 1.00 0.00 C ATOM 435 NH1 ARG A 29 4.884 -19.875 10.085 1.00 0.00 N ATOM 436 NH2 ARG A 29 3.901 -21.915 10.454 1.00 0.00 N ATOM 0 H ARG A 29 5.669 -21.061 3.920 1.00 0.00 H new ATOM 0 HA ARG A 29 3.709 -18.911 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.987 -21.062 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.327 -21.139 5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.408 -18.833 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.887 -20.410 6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.593 -19.428 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.179 -18.697 8.142 1.00 0.00 H new ATOM 0 HE ARG A 29 2.795 -21.501 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.014 -19.048 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.382 -19.958 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.273 -22.661 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.401 -21.994 11.339 1.00 0.00 H new ATOM 450 N ARG A 30 4.647 -17.242 5.364 1.00 0.00 N ATOM 451 CA ARG A 30 5.260 -16.201 6.179 1.00 0.00 C ATOM 452 C ARG A 30 4.202 -15.258 6.744 1.00 0.00 C ATOM 453 O ARG A 30 3.132 -15.087 6.160 1.00 0.00 O ATOM 454 CB ARG A 30 6.275 -15.409 5.353 1.00 0.00 C ATOM 455 CG ARG A 30 7.268 -14.625 6.196 1.00 0.00 C ATOM 456 CD ARG A 30 8.342 -15.531 6.778 1.00 0.00 C ATOM 457 NE ARG A 30 8.842 -15.037 8.058 1.00 0.00 N ATOM 458 CZ ARG A 30 9.457 -15.802 8.952 1.00 0.00 C ATOM 459 NH1 ARG A 30 9.648 -17.091 8.707 1.00 0.00 N ATOM 460 NH2 ARG A 30 9.883 -15.279 10.095 1.00 0.00 N ATOM 0 H ARG A 30 3.819 -16.942 4.849 1.00 0.00 H new ATOM 0 HA ARG A 30 5.774 -16.682 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.822 -16.097 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.740 -14.718 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.734 -13.852 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.741 -14.118 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.937 -16.534 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.169 -15.612 6.073 1.00 0.00 H new ATOM 0 HE ARG A 30 8.712 -14.049 8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.322 -17.497 7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.121 -17.676 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.738 -14.288 10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.355 -15.868 10.781 1.00 0.00 H new ATOM 474 N LYS A 31 4.508 -14.648 7.885 1.00 0.00 N ATOM 475 CA LYS A 31 3.585 -13.722 8.529 1.00 0.00 C ATOM 476 C LYS A 31 3.621 -12.357 7.850 1.00 0.00 C ATOM 477 O LYS A 31 4.694 -11.810 7.592 1.00 0.00 O ATOM 478 CB LYS A 31 3.930 -13.575 10.013 1.00 0.00 C ATOM 479 CG LYS A 31 2.914 -12.762 10.797 1.00 0.00 C ATOM 480 CD LYS A 31 3.266 -11.284 10.801 1.00 0.00 C ATOM 481 CE LYS A 31 4.154 -10.926 11.982 1.00 0.00 C ATOM 482 NZ LYS A 31 4.884 -9.647 11.759 1.00 0.00 N ATOM 0 H LYS A 31 5.389 -14.779 8.382 1.00 0.00 H new ATOM 0 HA LYS A 31 2.578 -14.128 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.011 -14.567 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.909 -13.104 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.924 -12.900 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.867 -13.128 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.774 -11.027 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.352 -10.691 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.545 -10.845 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.871 -11.729 12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.478 -9.438 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.484 -9.733 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.200 -8.876 11.621 1.00 0.00 H new ATOM 496 N CYS A 32 2.443 -11.812 7.565 1.00 0.00 N ATOM 497 CA CYS A 32 2.341 -10.509 6.916 1.00 0.00 C ATOM 498 C CYS A 32 1.423 -9.581 7.703 1.00 0.00 C ATOM 499 O CYS A 32 0.587 -10.034 8.486 1.00 0.00 O ATOM 500 CB CYS A 32 1.822 -10.668 5.486 1.00 0.00 C ATOM 501 SG CYS A 32 3.113 -10.992 4.263 1.00 0.00 S ATOM 0 H CYS A 32 1.546 -12.251 7.773 1.00 0.00 H new ATOM 0 HA CYS A 32 3.336 -10.066 6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.100 -11.485 5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.287 -9.762 5.202 1.00 0.00 H new ATOM 0 HG CYS A 32 2.610 -10.903 3.067 1.00 0.00 H new ATOM 507 N SER A 33 1.584 -8.278 7.492 1.00 0.00 N ATOM 508 CA SER A 33 0.773 -7.285 8.186 1.00 0.00 C ATOM 509 C SER A 33 0.746 -5.970 7.413 1.00 0.00 C ATOM 510 O SER A 33 1.661 -5.667 6.648 1.00 0.00 O ATOM 511 CB SER A 33 1.316 -7.049 9.597 1.00 0.00 C ATOM 512 OG SER A 33 0.281 -6.657 10.483 1.00 0.00 O ATOM 0 H SER A 33 2.269 -7.886 6.846 1.00 0.00 H new ATOM 0 HA SER A 33 -0.246 -7.667 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.789 -7.960 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.087 -6.279 9.569 1.00 0.00 H new ATOM 0 HG SER A 33 0.653 -6.514 11.378 1.00 0.00 H new ATOM 518 N VAL A 34 -0.312 -5.192 7.619 1.00 0.00 N ATOM 519 CA VAL A 34 -0.460 -3.908 6.943 1.00 0.00 C ATOM 520 C VAL A 34 -1.106 -2.875 7.860 1.00 0.00 C ATOM 521 O VAL A 34 -2.215 -3.076 8.356 1.00 0.00 O ATOM 522 CB VAL A 34 -1.306 -4.042 5.663 1.00 0.00 C ATOM 523 CG1 VAL A 34 -1.947 -2.710 5.305 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.455 -4.561 4.514 1.00 0.00 C ATOM 0 H VAL A 34 -1.079 -5.428 8.248 1.00 0.00 H new ATOM 0 HA VAL A 34 0.542 -3.575 6.674 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.103 -4.763 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.541 -2.824 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.591 -2.385 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.169 -1.965 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.069 -4.650 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.364 -3.867 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.050 -5.539 4.774 1.00 0.00 H new ATOM 534 N LYS A 35 -0.404 -1.769 8.082 1.00 0.00 N ATOM 535 CA LYS A 35 -0.908 -0.702 8.939 1.00 0.00 C ATOM 536 C LYS A 35 -0.204 0.617 8.636 1.00 0.00 C ATOM 537 O LYS A 35 1.020 0.667 8.527 1.00 0.00 O ATOM 538 CB LYS A 35 -0.716 -1.068 10.412 1.00 0.00 C ATOM 539 CG LYS A 35 -0.845 0.115 11.355 1.00 0.00 C ATOM 540 CD LYS A 35 -1.173 -0.332 12.770 1.00 0.00 C ATOM 541 CE LYS A 35 0.066 -0.832 13.497 1.00 0.00 C ATOM 542 NZ LYS A 35 0.767 0.266 14.217 1.00 0.00 N ATOM 0 H LYS A 35 0.516 -1.588 7.680 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.972 -0.581 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.451 -1.824 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.268 -1.518 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.086 0.682 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.625 0.785 10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.610 0.499 13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.922 -1.123 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.218 -1.609 14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.748 -1.290 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.793 0.178 14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.443 1.184 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.556 0.205 15.234 1.00 0.00 H new ATOM 556 N ASN A 36 -0.986 1.683 8.503 1.00 0.00 N ATOM 557 CA ASN A 36 -0.437 3.003 8.214 1.00 0.00 C ATOM 558 C ASN A 36 0.152 3.051 6.807 1.00 0.00 C ATOM 559 O ASN A 36 1.084 3.808 6.539 1.00 0.00 O ATOM 560 CB ASN A 36 0.637 3.367 9.241 1.00 0.00 C ATOM 561 CG ASN A 36 0.194 3.088 10.665 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.110 3.161 10.903 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 1.015 2.811 11.539 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.002 1.659 8.591 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.249 3.728 8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.545 2.803 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.888 4.423 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.008 2.766 11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.702 2.626 12.492 1.00 0.00 H new ATOM 570 N GLY A 37 -0.400 2.237 5.912 1.00 0.00 N ATOM 571 CA GLY A 37 0.082 2.203 4.544 1.00 0.00 C ATOM 572 C GLY A 37 1.446 1.552 4.427 1.00 0.00 C ATOM 573 O GLY A 37 2.215 1.866 3.517 1.00 0.00 O ATOM 0 H GLY A 37 -1.172 1.601 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.631 1.660 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.133 3.220 4.154 1.00 0.00 H new ATOM 577 N ILE A 38 1.748 0.644 5.349 1.00 0.00 N ATOM 578 CA ILE A 38 3.029 -0.052 5.345 1.00 0.00 C ATOM 579 C ILE A 38 2.838 -1.556 5.508 1.00 0.00 C ATOM 580 O ILE A 38 2.040 -2.005 6.331 1.00 0.00 O ATOM 581 CB ILE A 38 3.952 0.462 6.465 1.00 0.00 C ATOM 582 CG1 ILE A 38 4.041 1.989 6.423 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.336 -0.158 6.337 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.749 2.519 5.196 1.00 0.00 C ATOM 0 H ILE A 38 1.123 0.373 6.108 1.00 0.00 H new ATOM 0 HA ILE A 38 3.495 0.150 4.381 1.00 0.00 H new ATOM 0 HB ILE A 38 3.530 0.168 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.034 2.405 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.563 2.339 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.977 0.215 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.257 -1.243 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.766 0.109 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.775 3.608 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.768 2.132 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.215 2.199 4.301 1.00 0.00 H new ATOM 596 N LEU A 39 3.577 -2.329 4.720 1.00 0.00 N ATOM 597 CA LEU A 39 3.491 -3.784 4.778 1.00 0.00 C ATOM 598 C LEU A 39 4.715 -4.375 5.469 1.00 0.00 C ATOM 599 O LEU A 39 5.832 -4.295 4.955 1.00 0.00 O ATOM 600 CB LEU A 39 3.357 -4.363 3.369 1.00 0.00 C ATOM 601 CG LEU A 39 3.509 -5.880 3.249 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.322 -6.587 3.885 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.656 -6.288 1.791 1.00 0.00 C ATOM 0 H LEU A 39 4.242 -1.973 4.034 1.00 0.00 H new ATOM 0 HA LEU A 39 2.607 -4.048 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.380 -4.084 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.105 -3.892 2.732 1.00 0.00 H new ATOM 0 HG LEU A 39 4.412 -6.178 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.447 -7.666 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.262 -6.320 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.405 -6.283 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.763 -7.371 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.772 -5.976 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.539 -5.810 1.367 1.00 0.00 H new ATOM 615 N THR A 40 4.500 -4.971 6.638 1.00 0.00 N ATOM 616 CA THR A 40 5.585 -5.576 7.399 1.00 0.00 C ATOM 617 C THR A 40 5.740 -7.054 7.055 1.00 0.00 C ATOM 618 O THR A 40 4.754 -7.752 6.817 1.00 0.00 O ATOM 619 CB THR A 40 5.355 -5.435 8.915 1.00 0.00 C ATOM 620 OG1 THR A 40 4.931 -4.102 9.224 1.00 0.00 O ATOM 621 CG2 THR A 40 6.624 -5.761 9.688 1.00 0.00 C ATOM 0 H THR A 40 3.583 -5.047 7.078 1.00 0.00 H new ATOM 0 HA THR A 40 6.497 -5.044 7.127 1.00 0.00 H new ATOM 0 HB THR A 40 4.578 -6.141 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.785 -4.021 10.190 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.437 -5.654 10.756 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.928 -6.786 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.418 -5.077 9.389 1.00 0.00 H new ATOM 629 N ILE A 41 6.982 -7.524 7.033 1.00 0.00 N ATOM 630 CA ILE A 41 7.265 -8.919 6.720 1.00 0.00 C ATOM 631 C ILE A 41 8.290 -9.502 7.687 1.00 0.00 C ATOM 632 O ILE A 41 9.459 -9.118 7.674 1.00 0.00 O ATOM 633 CB ILE A 41 7.786 -9.079 5.280 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.819 -8.427 4.289 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.981 -10.551 4.947 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.486 -7.950 3.018 1.00 0.00 C ATOM 0 H ILE A 41 7.809 -6.959 7.228 1.00 0.00 H new ATOM 0 HA ILE A 41 6.325 -9.461 6.819 1.00 0.00 H new ATOM 0 HB ILE A 41 8.751 -8.578 5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.037 -9.142 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.331 -7.581 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.350 -10.647 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.704 -10.987 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.029 -11.074 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.741 -7.499 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.249 -7.211 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.950 -8.796 2.511 1.00 0.00 H new ATOM 648 N SER A 42 7.843 -10.434 8.524 1.00 0.00 N ATOM 649 CA SER A 42 8.721 -11.069 9.499 1.00 0.00 C ATOM 650 C SER A 42 9.914 -11.724 8.811 1.00 0.00 C ATOM 651 O SER A 42 9.772 -12.357 7.764 1.00 0.00 O ATOM 652 CB SER A 42 7.948 -12.113 10.308 1.00 0.00 C ATOM 653 OG SER A 42 8.674 -12.504 11.461 1.00 0.00 O ATOM 0 H SER A 42 6.879 -10.765 8.546 1.00 0.00 H new ATOM 0 HA SER A 42 9.092 -10.298 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.981 -11.706 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.749 -12.986 9.686 1.00 0.00 H new ATOM 0 HG SER A 42 8.158 -13.170 11.962 1.00 0.00 H new ATOM 767 N PRO A 50 12.551 -6.927 10.222 1.00 0.00 N ATOM 768 CA PRO A 50 11.570 -7.141 9.153 1.00 0.00 C ATOM 769 C PRO A 50 11.711 -6.125 8.025 1.00 0.00 C ATOM 770 O PRO A 50 12.437 -5.140 8.152 1.00 0.00 O ATOM 771 CB PRO A 50 10.226 -6.968 9.865 1.00 0.00 C ATOM 772 CG PRO A 50 10.526 -6.090 11.032 1.00 0.00 C ATOM 773 CD PRO A 50 11.925 -6.436 11.461 1.00 0.00 C ATOM 0 HA PRO A 50 11.693 -8.113 8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.485 -6.513 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.821 -7.928 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.451 -5.038 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.816 -6.260 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.449 -5.567 11.859 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.929 -7.196 12.242 1.00 0.00 H new ATOM 781 N ALA A 51 11.011 -6.371 6.923 1.00 0.00 N ATOM 782 CA ALA A 51 11.056 -5.476 5.773 1.00 0.00 C ATOM 783 C ALA A 51 9.732 -4.739 5.599 1.00 0.00 C ATOM 784 O ALA A 51 8.695 -5.355 5.352 1.00 0.00 O ATOM 785 CB ALA A 51 11.399 -6.254 4.511 1.00 0.00 C ATOM 0 H ALA A 51 10.406 -7.183 6.802 1.00 0.00 H new ATOM 0 HA ALA A 51 11.834 -4.734 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.429 -5.573 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.373 -6.729 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.641 -7.018 4.337 1.00 0.00 H new ATOM 791 N LYS A 52 9.774 -3.418 5.730 1.00 0.00 N ATOM 792 CA LYS A 52 8.579 -2.596 5.587 1.00 0.00 C ATOM 793 C LYS A 52 8.480 -2.021 4.177 1.00 0.00 C ATOM 794 O LYS A 52 9.378 -1.313 3.720 1.00 0.00 O ATOM 795 CB LYS A 52 8.590 -1.460 6.612 1.00 0.00 C ATOM 796 CG LYS A 52 8.860 -1.926 8.033 1.00 0.00 C ATOM 797 CD LYS A 52 8.210 -1.007 9.054 1.00 0.00 C ATOM 798 CE LYS A 52 6.798 -1.460 9.392 1.00 0.00 C ATOM 799 NZ LYS A 52 5.952 -0.331 9.868 1.00 0.00 N ATOM 0 H LYS A 52 10.624 -2.893 5.935 1.00 0.00 H new ATOM 0 HA LYS A 52 7.710 -3.229 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.349 -0.732 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.629 -0.946 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.482 -2.940 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.935 -1.962 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.813 -0.985 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.183 0.011 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.340 -1.910 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.839 -2.232 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.468 -0.606 10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.551 0.500 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.245 -0.097 9.142 1.00 0.00 H new ATOM 813 N LEU A 53 7.383 -2.329 3.494 1.00 0.00 N ATOM 814 CA LEU A 53 7.165 -1.841 2.136 1.00 0.00 C ATOM 815 C LEU A 53 6.131 -0.720 2.119 1.00 0.00 C ATOM 816 O LEU A 53 5.064 -0.837 2.721 1.00 0.00 O ATOM 817 CB LEU A 53 6.709 -2.985 1.230 1.00 0.00 C ATOM 818 CG LEU A 53 7.820 -3.807 0.575 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.355 -5.235 0.334 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.264 -3.161 -0.729 1.00 0.00 C ATOM 0 H LEU A 53 6.631 -2.914 3.858 1.00 0.00 H new ATOM 0 HA LEU A 53 8.109 -1.444 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.084 -3.659 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.080 -2.570 0.443 1.00 0.00 H new ATOM 0 HG LEU A 53 8.674 -3.834 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.158 -5.805 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.088 -5.696 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.485 -5.228 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.055 -3.760 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.417 -3.103 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.638 -2.157 -0.529 1.00 0.00 H new ATOM 832 N ASN A 54 6.454 0.366 1.424 1.00 0.00 N ATOM 833 CA ASN A 54 5.552 1.508 1.327 1.00 0.00 C ATOM 834 C ASN A 54 4.407 1.216 0.363 1.00 0.00 C ATOM 835 O ASN A 54 4.628 0.955 -0.820 1.00 0.00 O ATOM 836 CB ASN A 54 6.317 2.750 0.868 1.00 0.00 C ATOM 837 CG ASN A 54 5.693 4.035 1.378 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.025 4.046 2.412 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.909 5.126 0.653 1.00 0.00 N ATOM 0 H ASN A 54 7.333 0.479 0.920 1.00 0.00 H new ATOM 0 HA ASN A 54 5.132 1.693 2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.348 2.687 1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.349 2.772 -0.221 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.515 6.020 0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.469 5.070 -0.198 1.00 0.00 H new ATOM 846 N LEU A 55 3.182 1.262 0.876 1.00 0.00 N ATOM 847 CA LEU A 55 2.001 1.004 0.061 1.00 0.00 C ATOM 848 C LEU A 55 1.587 2.253 -0.710 1.00 0.00 C ATOM 849 O LEU A 55 0.631 2.229 -1.487 1.00 0.00 O ATOM 850 CB LEU A 55 0.844 0.527 0.941 1.00 0.00 C ATOM 851 CG LEU A 55 0.913 -0.926 1.412 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.261 -1.215 2.054 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.219 -1.226 2.384 1.00 0.00 C ATOM 0 H LEU A 55 2.981 1.476 1.853 1.00 0.00 H new ATOM 0 HA LEU A 55 2.250 0.223 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.793 1.170 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.086 0.665 0.390 1.00 0.00 H new ATOM 0 HG LEU A 55 0.801 -1.575 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.292 -2.254 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.055 -1.041 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.404 -0.558 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.154 -2.264 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.138 -0.569 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.176 -1.059 1.890 1.00 0.00 H new ATOM 865 N LEU A 56 2.314 3.344 -0.493 1.00 0.00 N ATOM 866 CA LEU A 56 2.024 4.603 -1.169 1.00 0.00 C ATOM 867 C LEU A 56 2.513 4.571 -2.614 1.00 0.00 C ATOM 868 O LEU A 56 2.117 5.399 -3.434 1.00 0.00 O ATOM 869 CB LEU A 56 2.679 5.768 -0.423 1.00 0.00 C ATOM 870 CG LEU A 56 2.509 5.771 1.096 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.889 7.126 1.673 1.00 0.00 C ATOM 872 CD2 LEU A 56 1.080 5.410 1.475 1.00 0.00 C ATOM 0 H LEU A 56 3.108 3.382 0.146 1.00 0.00 H new ATOM 0 HA LEU A 56 0.943 4.744 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.745 5.765 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.272 6.700 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 56 3.176 5.019 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.762 7.109 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.930 7.345 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.248 7.897 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.978 5.417 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.394 6.137 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.843 4.416 1.095 1.00 0.00 H new ATOM 884 N THR A 57 3.376 3.607 -2.920 1.00 0.00 N ATOM 885 CA THR A 57 3.918 3.465 -4.265 1.00 0.00 C ATOM 886 C THR A 57 3.884 2.011 -4.721 1.00 0.00 C ATOM 887 O THR A 57 4.288 1.692 -5.840 1.00 0.00 O ATOM 888 CB THR A 57 5.367 3.982 -4.344 1.00 0.00 C ATOM 889 OG1 THR A 57 6.053 3.353 -5.432 1.00 0.00 O ATOM 890 CG2 THR A 57 6.110 3.711 -3.044 1.00 0.00 C ATOM 0 H THR A 57 3.714 2.913 -2.254 1.00 0.00 H new ATOM 0 HA THR A 57 3.290 4.064 -4.924 1.00 0.00 H new ATOM 0 HB THR A 57 5.337 5.059 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.403 3.068 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.131 4.085 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.602 4.216 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.130 2.638 -2.853 1.00 0.00 H new ATOM 898 N CYS A 58 3.399 1.134 -3.850 1.00 0.00 N ATOM 899 CA CYS A 58 3.312 -0.288 -4.164 1.00 0.00 C ATOM 900 C CYS A 58 2.231 -0.549 -5.207 1.00 0.00 C ATOM 901 O CYS A 58 1.130 -0.006 -5.123 1.00 0.00 O ATOM 902 CB CYS A 58 3.021 -1.094 -2.897 1.00 0.00 C ATOM 903 SG CYS A 58 1.260 -1.287 -2.534 1.00 0.00 S ATOM 0 H CYS A 58 3.060 1.382 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 58 4.271 -0.604 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.471 -2.082 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.504 -0.607 -2.050 1.00 0.00 H new ATOM 0 HG CYS A 58 0.559 -0.804 -3.516 1.00 0.00 H new ATOM 909 N GLN A 59 2.555 -1.382 -6.191 1.00 0.00 N ATOM 910 CA GLN A 59 1.611 -1.713 -7.253 1.00 0.00 C ATOM 911 C GLN A 59 1.036 -3.111 -7.053 1.00 0.00 C ATOM 912 O GLN A 59 1.708 -4.112 -7.301 1.00 0.00 O ATOM 913 CB GLN A 59 2.295 -1.620 -8.618 1.00 0.00 C ATOM 914 CG GLN A 59 1.350 -1.240 -9.747 1.00 0.00 C ATOM 915 CD GLN A 59 2.081 -0.749 -10.980 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.291 -0.935 -11.113 1.00 0.00 O ATOM 917 NE2 GLN A 59 1.350 -0.117 -11.890 1.00 0.00 N ATOM 0 H GLN A 59 3.463 -1.840 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 59 0.792 -0.995 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.097 -0.884 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.757 -2.579 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.740 -2.104 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.669 -0.463 -9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.350 0.015 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.788 0.237 -12.740 1.00 0.00 H new ATOM 926 N VAL A 60 -0.214 -3.173 -6.604 1.00 0.00 N ATOM 927 CA VAL A 60 -0.881 -4.448 -6.371 1.00 0.00 C ATOM 928 C VAL A 60 -1.445 -5.017 -7.668 1.00 0.00 C ATOM 929 O VAL A 60 -2.514 -4.611 -8.124 1.00 0.00 O ATOM 930 CB VAL A 60 -2.022 -4.307 -5.346 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.745 -5.632 -5.166 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.483 -3.799 -4.017 1.00 0.00 C ATOM 0 H VAL A 60 -0.785 -2.354 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.129 -5.130 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.739 -3.578 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.548 -5.513 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.165 -5.950 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.042 -6.385 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.302 -3.705 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.745 -4.502 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.015 -2.825 -4.162 1.00 0.00 H new ATOM 942 N LYS A 61 -0.721 -5.961 -8.258 1.00 0.00 N ATOM 943 CA LYS A 61 -1.148 -6.589 -9.503 1.00 0.00 C ATOM 944 C LYS A 61 -1.629 -8.016 -9.255 1.00 0.00 C ATOM 945 O LYS A 61 -0.845 -8.965 -9.234 1.00 0.00 O ATOM 946 CB LYS A 61 -0.002 -6.594 -10.516 1.00 0.00 C ATOM 947 CG LYS A 61 0.151 -5.284 -11.268 1.00 0.00 C ATOM 948 CD LYS A 61 0.864 -5.482 -12.595 1.00 0.00 C ATOM 949 CE LYS A 61 -0.109 -5.870 -13.698 1.00 0.00 C ATOM 950 NZ LYS A 61 0.527 -5.818 -15.043 1.00 0.00 N ATOM 0 H LYS A 61 0.166 -6.309 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.978 -6.009 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.930 -6.816 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.166 -7.398 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.832 -4.848 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.709 -4.575 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.382 -4.564 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.623 -6.257 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.485 -6.876 -13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.968 -5.200 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.169 -6.089 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.863 -4.852 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.331 -6.477 -15.072 1.00 0.00 H new ATOM 964 N PRO A 62 -2.947 -8.173 -9.065 1.00 0.00 N ATOM 965 CA PRO A 62 -3.561 -9.481 -8.818 1.00 0.00 C ATOM 966 C PRO A 62 -3.533 -10.377 -10.052 1.00 0.00 C ATOM 967 O PRO A 62 -3.678 -9.903 -11.178 1.00 0.00 O ATOM 968 CB PRO A 62 -5.003 -9.131 -8.444 1.00 0.00 C ATOM 969 CG PRO A 62 -5.255 -7.815 -9.096 1.00 0.00 C ATOM 970 CD PRO A 62 -3.940 -7.086 -9.078 1.00 0.00 C ATOM 0 HA PRO A 62 -3.031 -10.041 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.700 -9.889 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.127 -9.067 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.614 -7.947 -10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.020 -7.254 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.824 -6.446 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.847 -6.446 -8.200 1.00 0.00 H new ATOM 978 N ASN A 63 -3.345 -11.674 -9.831 1.00 0.00 N ATOM 979 CA ASN A 63 -3.298 -12.636 -10.926 1.00 0.00 C ATOM 980 C ASN A 63 -4.405 -12.362 -11.939 1.00 0.00 C ATOM 981 O ASN A 63 -5.318 -11.579 -11.680 1.00 0.00 O ATOM 982 CB ASN A 63 -3.428 -14.062 -10.385 1.00 0.00 C ATOM 983 CG ASN A 63 -4.868 -14.535 -10.342 1.00 0.00 C ATOM 984 OD1 ASN A 63 -5.557 -14.556 -11.362 1.00 0.00 O ATOM 985 ND2 ASN A 63 -5.330 -14.916 -9.156 1.00 0.00 N ATOM 0 H ASN A 63 -3.223 -12.083 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.336 -12.531 -11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.845 -14.739 -11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.003 -14.107 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.292 -15.243 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.723 -14.882 -8.337 1.00 0.00 H new ATOM 992 N ALA A 64 -4.316 -13.013 -13.095 1.00 0.00 N ATOM 993 CA ALA A 64 -5.311 -12.842 -14.146 1.00 0.00 C ATOM 994 C ALA A 64 -5.915 -14.182 -14.554 1.00 0.00 C ATOM 995 O ALA A 64 -7.045 -14.241 -15.037 1.00 0.00 O ATOM 996 CB ALA A 64 -4.691 -12.151 -15.352 1.00 0.00 C ATOM 0 H ALA A 64 -3.565 -13.663 -13.327 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.113 -12.216 -13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.445 -12.030 -16.129 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.314 -11.172 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.869 -12.756 -15.735 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.154 -15.253 -14.356 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.615 -16.592 -14.705 1.00 0.00 C ATOM 1004 C GLU A 65 -5.656 -17.492 -13.474 1.00 0.00 C ATOM 1005 O GLU A 65 -6.526 -18.354 -13.350 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.705 -17.207 -15.771 1.00 0.00 C ATOM 1007 CG GLU A 65 -4.658 -16.411 -17.064 1.00 0.00 C ATOM 1008 CD GLU A 65 -3.587 -16.908 -18.016 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -3.872 -17.846 -18.790 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -2.466 -16.360 -17.987 1.00 0.00 O ATOM 0 H GLU A 65 -4.216 -15.220 -13.956 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.625 -16.508 -15.105 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.695 -17.292 -15.370 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.047 -18.219 -15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.629 -16.465 -17.555 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.476 -15.361 -16.834 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.707 -17.286 -12.567 1.00 0.00 N ATOM 1018 CA ASP A 66 -4.634 -18.078 -11.344 1.00 0.00 C ATOM 1019 C ASP A 66 -5.616 -17.557 -10.299 1.00 0.00 C ATOM 1020 O ASP A 66 -6.409 -16.656 -10.572 1.00 0.00 O ATOM 1021 CB ASP A 66 -3.212 -18.056 -10.782 1.00 0.00 C ATOM 1022 CG ASP A 66 -2.170 -18.409 -11.825 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -1.885 -17.556 -12.692 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -1.640 -19.539 -11.775 1.00 0.00 O ATOM 0 H ASP A 66 -3.978 -16.578 -12.655 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.904 -19.105 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.999 -17.065 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.142 -18.758 -9.951 1.00 0.00 H new ATOM 1029 N LYS A 67 -5.558 -18.131 -9.103 1.00 0.00 N ATOM 1030 CA LYS A 67 -6.441 -17.726 -8.015 1.00 0.00 C ATOM 1031 C LYS A 67 -5.641 -17.380 -6.764 1.00 0.00 C ATOM 1032 O LYS A 67 -4.480 -17.768 -6.630 1.00 0.00 O ATOM 1033 CB LYS A 67 -7.442 -18.841 -7.701 1.00 0.00 C ATOM 1034 CG LYS A 67 -8.407 -19.129 -8.838 1.00 0.00 C ATOM 1035 CD LYS A 67 -9.441 -18.025 -8.985 1.00 0.00 C ATOM 1036 CE LYS A 67 -10.102 -18.060 -10.355 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.149 -19.115 -10.439 1.00 0.00 N ATOM 0 H LYS A 67 -4.908 -18.879 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.985 -16.837 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.895 -19.752 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.011 -18.567 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.852 -19.235 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.911 -20.079 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.201 -18.131 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.965 -17.056 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.548 -17.088 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.345 -18.238 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.575 -19.106 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.720 -20.045 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.885 -18.931 -9.727 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.268 -16.648 -5.850 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.616 -16.252 -4.607 1.00 0.00 C ATOM 1053 C LYS A 68 -4.131 -15.985 -4.833 1.00 0.00 C ATOM 1054 O LYS A 68 -3.278 -16.569 -4.165 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.794 -17.338 -3.544 1.00 0.00 C ATOM 1056 CG LYS A 68 -5.344 -18.715 -4.000 1.00 0.00 C ATOM 1057 CD LYS A 68 -5.597 -19.766 -2.932 1.00 0.00 C ATOM 1058 CE LYS A 68 -4.572 -20.888 -3.001 1.00 0.00 C ATOM 1059 NZ LYS A 68 -4.931 -21.904 -4.030 1.00 0.00 N ATOM 0 H LYS A 68 -7.228 -16.316 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.084 -15.332 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.232 -17.058 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.844 -17.385 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.873 -18.988 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.282 -18.690 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.563 -19.301 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.598 -20.178 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.591 -20.471 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.494 -21.370 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.208 -22.652 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.855 -22.321 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.980 -21.450 -4.964 1.00 0.00 H new ATOM 1073 N SER A 69 -3.830 -15.100 -5.778 1.00 0.00 N ATOM 1074 CA SER A 69 -2.448 -14.759 -6.093 1.00 0.00 C ATOM 1075 C SER A 69 -2.341 -13.314 -6.573 1.00 0.00 C ATOM 1076 O SER A 69 -3.185 -12.836 -7.332 1.00 0.00 O ATOM 1077 CB SER A 69 -1.897 -15.705 -7.161 1.00 0.00 C ATOM 1078 OG SER A 69 -0.516 -15.951 -6.962 1.00 0.00 O ATOM 0 H SER A 69 -4.525 -14.606 -6.339 1.00 0.00 H new ATOM 0 HA SER A 69 -1.857 -14.867 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.445 -16.647 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.054 -15.273 -8.149 1.00 0.00 H new ATOM 0 HG SER A 69 -0.189 -16.560 -7.657 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.298 -12.624 -6.125 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.080 -11.234 -6.508 1.00 0.00 C ATOM 1086 C PHE A 70 0.398 -10.868 -6.409 1.00 0.00 C ATOM 1087 O PHE A 70 1.071 -11.216 -5.439 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.908 -10.303 -5.619 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.379 -10.184 -4.219 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.509 -11.233 -3.323 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.752 -9.022 -3.797 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -1.024 -11.127 -2.034 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.264 -8.911 -2.509 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.401 -9.964 -1.626 1.00 0.00 C ATOM 0 H PHE A 70 -0.590 -13.004 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.397 -11.114 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.938 -9.312 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.934 -10.668 -5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.996 -12.145 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.644 -8.194 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.132 -11.953 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.224 -8.001 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.022 -9.878 -0.618 1.00 0.00 H new ATOM 1104 N ASP A 71 0.896 -10.165 -7.420 1.00 0.00 N ATOM 1105 CA ASP A 71 2.294 -9.751 -7.448 1.00 0.00 C ATOM 1106 C ASP A 71 2.444 -8.311 -6.967 1.00 0.00 C ATOM 1107 O ASP A 71 1.818 -7.397 -7.505 1.00 0.00 O ATOM 1108 CB ASP A 71 2.861 -9.891 -8.862 1.00 0.00 C ATOM 1109 CG ASP A 71 3.171 -11.331 -9.221 1.00 0.00 C ATOM 1110 OD1 ASP A 71 4.162 -11.875 -8.691 1.00 0.00 O ATOM 1111 OD2 ASP A 71 2.422 -11.914 -10.033 1.00 0.00 O ATOM 0 H ASP A 71 0.352 -9.870 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 71 2.853 -10.400 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.146 -9.487 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.769 -9.295 -8.947 1.00 0.00 H new ATOM 1116 N LEU A 72 3.278 -8.116 -5.951 1.00 0.00 N ATOM 1117 CA LEU A 72 3.510 -6.787 -5.396 1.00 0.00 C ATOM 1118 C LEU A 72 4.785 -6.174 -5.965 1.00 0.00 C ATOM 1119 O LEU A 72 5.889 -6.642 -5.685 1.00 0.00 O ATOM 1120 CB LEU A 72 3.602 -6.859 -3.871 1.00 0.00 C ATOM 1121 CG LEU A 72 3.480 -5.528 -3.128 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.047 -5.022 -3.171 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.952 -5.675 -1.689 1.00 0.00 C ATOM 0 H LEU A 72 3.805 -8.861 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 72 2.669 -6.152 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.819 -7.526 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.556 -7.314 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 72 4.117 -4.797 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.980 -4.074 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.743 -4.877 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.389 -5.752 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.858 -4.718 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.342 -6.421 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.995 -5.991 -1.679 1.00 0.00 H new ATOM 1135 N ILE A 73 4.626 -5.125 -6.764 1.00 0.00 N ATOM 1136 CA ILE A 73 5.765 -4.446 -7.370 1.00 0.00 C ATOM 1137 C ILE A 73 6.192 -3.241 -6.539 1.00 0.00 C ATOM 1138 O ILE A 73 5.472 -2.246 -6.454 1.00 0.00 O ATOM 1139 CB ILE A 73 5.446 -3.981 -8.803 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.119 -5.182 -9.692 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.614 -3.192 -9.376 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.156 -4.860 -10.813 1.00 0.00 C ATOM 0 H ILE A 73 3.719 -4.726 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 73 6.581 -5.168 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 73 4.573 -3.329 -8.772 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.044 -5.570 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.695 -5.975 -9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.373 -2.870 -10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.803 -2.318 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.503 -3.822 -9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.970 -5.758 -11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.217 -4.500 -10.393 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.587 -4.089 -11.452 1.00 0.00 H new ATOM 1154 N SER A 74 7.368 -3.337 -5.928 1.00 0.00 N ATOM 1155 CA SER A 74 7.892 -2.255 -5.102 1.00 0.00 C ATOM 1156 C SER A 74 8.455 -1.133 -5.969 1.00 0.00 C ATOM 1157 O SER A 74 8.402 -1.196 -7.198 1.00 0.00 O ATOM 1158 CB SER A 74 8.977 -2.783 -4.162 1.00 0.00 C ATOM 1159 OG SER A 74 9.508 -1.741 -3.361 1.00 0.00 O ATOM 0 H SER A 74 7.977 -4.153 -5.989 1.00 0.00 H new ATOM 0 HA SER A 74 7.071 -1.854 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.561 -3.562 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.776 -3.242 -4.745 1.00 0.00 H new ATOM 0 HG SER A 74 10.198 -2.104 -2.768 1.00 0.00 H new ATOM 1165 N HIS A 75 8.994 -0.106 -5.320 1.00 0.00 N ATOM 1166 CA HIS A 75 9.568 1.031 -6.030 1.00 0.00 C ATOM 1167 C HIS A 75 10.476 0.562 -7.163 1.00 0.00 C ATOM 1168 O HIS A 75 10.240 0.874 -8.330 1.00 0.00 O ATOM 1169 CB HIS A 75 10.354 1.918 -5.065 1.00 0.00 C ATOM 1170 CG HIS A 75 10.683 3.268 -5.625 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.958 3.639 -5.995 1.00 0.00 N ATOM 1172 CD2 HIS A 75 9.893 4.338 -5.878 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.939 4.879 -6.451 1.00 0.00 C ATOM 1174 NE2 HIS A 75 10.698 5.326 -6.390 1.00 0.00 N ATOM 0 H HIS A 75 9.045 -0.038 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 75 8.750 1.610 -6.459 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.777 2.045 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.280 1.412 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.828 4.403 -5.709 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.793 5.433 -6.812 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.388 6.254 -6.677 1.00 0.00 H new ATOM 1183 N ASN A 76 11.515 -0.188 -6.811 1.00 0.00 N ATOM 1184 CA ASN A 76 12.459 -0.699 -7.798 1.00 0.00 C ATOM 1185 C ASN A 76 12.699 -2.192 -7.599 1.00 0.00 C ATOM 1186 O ASN A 76 13.839 -2.656 -7.622 1.00 0.00 O ATOM 1187 CB ASN A 76 13.784 0.059 -7.707 1.00 0.00 C ATOM 1188 CG ASN A 76 14.716 -0.265 -8.858 1.00 0.00 C ATOM 1189 OD1 ASN A 76 14.280 -0.425 -9.998 1.00 0.00 O ATOM 1190 ND2 ASN A 76 16.008 -0.363 -8.564 1.00 0.00 N ATOM 0 H ASN A 76 11.725 -0.455 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 76 12.029 -0.547 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.586 1.131 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.275 -0.186 -6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.683 -0.579 -9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.325 -0.222 -7.605 1.00 0.00 H new ATOM 1197 N ARG A 77 11.618 -2.940 -7.404 1.00 0.00 N ATOM 1198 CA ARG A 77 11.711 -4.380 -7.201 1.00 0.00 C ATOM 1199 C ARG A 77 10.349 -5.044 -7.381 1.00 0.00 C ATOM 1200 O ARG A 77 9.322 -4.369 -7.461 1.00 0.00 O ATOM 1201 CB ARG A 77 12.258 -4.685 -5.805 1.00 0.00 C ATOM 1202 CG ARG A 77 13.773 -4.796 -5.756 1.00 0.00 C ATOM 1203 CD ARG A 77 14.228 -5.715 -4.633 1.00 0.00 C ATOM 1204 NE ARG A 77 15.668 -5.955 -4.672 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.309 -6.726 -3.800 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.640 -7.329 -2.827 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.621 -6.896 -3.902 1.00 0.00 N ATOM 0 H ARG A 77 10.667 -2.572 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 77 12.394 -4.783 -7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 77 11.937 -3.901 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.822 -5.618 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.142 -5.174 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.207 -3.806 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.960 -5.274 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.700 -6.666 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 77 16.212 -5.506 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.631 -7.202 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.134 -7.920 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.138 -6.435 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.112 -7.488 -3.232 1.00 0.00 H new ATOM 1221 N THR A 78 10.347 -6.372 -7.445 1.00 0.00 N ATOM 1222 CA THR A 78 9.113 -7.127 -7.617 1.00 0.00 C ATOM 1223 C THR A 78 9.001 -8.243 -6.584 1.00 0.00 C ATOM 1224 O THR A 78 9.999 -8.864 -6.217 1.00 0.00 O ATOM 1225 CB THR A 78 9.021 -7.739 -9.028 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.377 -6.760 -10.011 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.616 -8.255 -9.304 1.00 0.00 C ATOM 0 H THR A 78 11.187 -6.947 -7.380 1.00 0.00 H new ATOM 0 HA THR A 78 8.292 -6.424 -7.479 1.00 0.00 H new ATOM 0 HB THR A 78 9.716 -8.577 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.318 -7.157 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.576 -8.682 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.359 -9.021 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.905 -7.432 -9.232 1.00 0.00 H new ATOM 1235 N TYR A 79 7.783 -8.491 -6.118 1.00 0.00 N ATOM 1236 CA TYR A 79 7.542 -9.532 -5.125 1.00 0.00 C ATOM 1237 C TYR A 79 6.340 -10.388 -5.513 1.00 0.00 C ATOM 1238 O TYR A 79 5.390 -9.902 -6.128 1.00 0.00 O ATOM 1239 CB TYR A 79 7.314 -8.907 -3.747 1.00 0.00 C ATOM 1240 CG TYR A 79 8.497 -8.116 -3.238 1.00 0.00 C ATOM 1241 CD1 TYR A 79 8.778 -6.851 -3.739 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.333 -8.632 -2.257 1.00 0.00 C ATOM 1243 CE1 TYR A 79 9.859 -6.123 -3.278 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.415 -7.912 -1.788 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.674 -6.658 -2.302 1.00 0.00 C ATOM 1246 OH TYR A 79 11.751 -5.938 -1.838 1.00 0.00 O ATOM 0 H TYR A 79 6.947 -7.986 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 79 8.423 -10.173 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.443 -8.253 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.081 -9.697 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.141 -6.429 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.134 -9.614 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.064 -5.142 -3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.054 -8.328 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 79 12.220 -6.457 -1.152 1.00 0.00 H new ATOM 1256 N HIS A 80 6.389 -11.665 -5.149 1.00 0.00 N ATOM 1257 CA HIS A 80 5.305 -12.590 -5.457 1.00 0.00 C ATOM 1258 C HIS A 80 4.622 -13.071 -4.181 1.00 0.00 C ATOM 1259 O HIS A 80 5.255 -13.679 -3.317 1.00 0.00 O ATOM 1260 CB HIS A 80 5.836 -13.787 -6.247 1.00 0.00 C ATOM 1261 CG HIS A 80 6.881 -13.422 -7.256 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.714 -12.413 -8.182 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.113 -13.936 -7.480 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.798 -12.325 -8.933 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.662 -13.238 -8.527 1.00 0.00 N ATOM 0 H HIS A 80 7.168 -12.083 -4.640 1.00 0.00 H new ATOM 0 HA HIS A 80 4.571 -12.060 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.253 -14.515 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.004 -14.273 -6.757 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.884 -11.827 -8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.578 -14.745 -6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.951 -11.625 -9.741 1.00 0.00 H new ATOM 1274 N PHE A 81 3.327 -12.796 -4.068 1.00 0.00 N ATOM 1275 CA PHE A 81 2.558 -13.199 -2.896 1.00 0.00 C ATOM 1276 C PHE A 81 1.350 -14.039 -3.300 1.00 0.00 C ATOM 1277 O PHE A 81 0.718 -13.783 -4.325 1.00 0.00 O ATOM 1278 CB PHE A 81 2.097 -11.967 -2.114 1.00 0.00 C ATOM 1279 CG PHE A 81 3.225 -11.200 -1.484 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.844 -11.669 -0.337 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.667 -10.011 -2.041 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.881 -10.965 0.245 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.705 -9.303 -1.464 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.313 -9.781 -0.320 1.00 0.00 C ATOM 0 H PHE A 81 2.787 -12.295 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 81 3.204 -13.805 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.548 -11.305 -2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.402 -12.280 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.512 -12.596 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.195 -9.633 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.353 -11.340 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.040 -8.377 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.125 -9.230 0.132 1.00 0.00 H new ATOM 1294 N GLN A 82 1.038 -15.044 -2.488 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.093 -15.923 -2.762 1.00 0.00 C ATOM 1296 C GLN A 82 -0.881 -16.209 -1.488 1.00 0.00 C ATOM 1297 O GLN A 82 -0.316 -16.265 -0.396 1.00 0.00 O ATOM 1298 CB GLN A 82 0.393 -17.235 -3.381 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.725 -18.230 -3.652 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.207 -19.578 -4.114 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.272 -20.565 -3.381 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.312 -19.626 -5.335 1.00 0.00 N ATOM 0 H GLN A 82 1.552 -15.270 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.751 -15.418 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.909 -17.017 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.123 -17.694 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.315 -18.363 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.393 -17.822 -4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.346 -18.783 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.677 -20.506 -5.700 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.189 -16.389 -1.635 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.055 -16.670 -0.497 1.00 0.00 C ATOM 1313 C ALA A 83 -3.463 -18.139 -0.467 1.00 0.00 C ATOM 1314 O ALA A 83 -3.445 -18.818 -1.494 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.287 -15.779 -0.538 1.00 0.00 C ATOM 0 H ALA A 83 -2.673 -16.345 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.496 -16.456 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.925 -16.000 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.981 -14.733 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.839 -15.964 -1.459 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.829 -18.624 0.715 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.239 -20.013 0.877 1.00 0.00 C ATOM 1323 C GLU A 84 -5.658 -20.225 0.357 1.00 0.00 C ATOM 1324 O GLU A 84 -5.932 -21.193 -0.353 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.157 -20.425 2.348 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.759 -20.312 2.935 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.610 -21.075 4.237 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.874 -22.296 4.242 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.229 -20.452 5.249 1.00 0.00 O ATOM 0 H GLU A 84 -3.850 -18.075 1.574 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.559 -20.635 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.837 -19.803 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.502 -21.454 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.034 -20.688 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.524 -19.261 3.105 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.556 -19.315 0.716 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.947 -19.400 0.286 1.00 0.00 C ATOM 1338 C ASP A 85 -8.394 -18.098 -0.371 1.00 0.00 C ATOM 1339 O ASP A 85 -8.111 -17.011 0.131 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.852 -19.723 1.476 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.235 -20.743 2.413 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -7.913 -21.857 1.948 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.075 -20.428 3.610 1.00 0.00 O ATOM 0 H ASP A 85 -6.346 -18.509 1.304 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.026 -20.201 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.062 -18.807 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.807 -20.101 1.110 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.091 -18.218 -1.496 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.575 -17.050 -2.222 1.00 0.00 C ATOM 1350 C GLU A 86 -10.192 -16.032 -1.267 1.00 0.00 C ATOM 1351 O GLU A 86 -10.156 -14.829 -1.518 1.00 0.00 O ATOM 1352 CB GLU A 86 -10.604 -17.466 -3.275 1.00 0.00 C ATOM 1353 CG GLU A 86 -9.994 -17.789 -4.628 1.00 0.00 C ATOM 1354 CD GLU A 86 -10.785 -18.834 -5.391 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -11.893 -18.507 -5.867 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -10.298 -19.977 -5.512 1.00 0.00 O ATOM 0 H GLU A 86 -9.333 -19.112 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.724 -16.586 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.148 -18.338 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.332 -16.664 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.935 -16.877 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.973 -18.143 -4.487 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.758 -16.527 -0.170 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.385 -15.661 0.822 1.00 0.00 C ATOM 1365 C GLN A 87 -10.367 -14.698 1.424 1.00 0.00 C ATOM 1366 O GLN A 87 -10.669 -13.527 1.658 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.026 -16.500 1.929 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.180 -17.363 1.446 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.376 -16.544 1.000 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.263 -15.688 0.122 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -15.530 -16.804 1.604 1.00 0.00 N ATOM 0 H GLN A 87 -10.795 -17.521 0.054 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.159 -15.078 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.265 -17.141 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.384 -15.836 2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.841 -17.985 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.484 -18.037 2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.577 -17.522 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.369 -16.285 1.345 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.161 -15.197 1.672 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.098 -14.381 2.245 1.00 0.00 C ATOM 1382 C ASP A 88 -7.531 -13.418 1.206 1.00 0.00 C ATOM 1383 O ASP A 88 -7.154 -12.292 1.529 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.983 -15.270 2.797 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.168 -14.578 3.871 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.677 -14.438 5.003 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -5.022 -14.176 3.581 1.00 0.00 O ATOM 0 H ASP A 88 -8.895 -16.164 1.485 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.523 -13.797 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.418 -16.182 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.324 -15.570 1.982 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.473 -13.870 -0.041 1.00 0.00 N ATOM 1393 CA TYR A 89 -6.949 -13.051 -1.128 1.00 0.00 C ATOM 1394 C TYR A 89 -7.902 -11.906 -1.455 1.00 0.00 C ATOM 1395 O TYR A 89 -7.558 -10.734 -1.305 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.715 -13.907 -2.373 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.831 -13.136 -3.669 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.722 -12.519 -4.234 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.050 -13.024 -4.327 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.823 -11.813 -5.417 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.160 -12.321 -5.511 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.044 -11.717 -6.052 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.149 -11.015 -7.230 1.00 0.00 O ATOM 0 H TYR A 89 -7.782 -14.800 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.999 -12.627 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.723 -14.355 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.435 -14.726 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.764 -12.593 -3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.926 -13.495 -3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.951 -11.339 -5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.115 -12.245 -6.010 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.076 -11.045 -7.547 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.104 -12.255 -1.904 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.109 -11.258 -2.252 1.00 0.00 C ATOM 1415 C VAL A 90 -10.073 -10.080 -1.285 1.00 0.00 C ATOM 1416 O VAL A 90 -10.362 -8.945 -1.662 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.525 -11.865 -2.252 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.575 -10.771 -2.377 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.668 -12.883 -3.374 1.00 0.00 C ATOM 0 H VAL A 90 -9.405 -13.221 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.872 -10.907 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.681 -12.379 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.569 -11.219 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.485 -10.083 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.424 -10.227 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.674 -13.302 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.492 -12.395 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.940 -13.682 -3.235 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.716 -10.359 -0.035 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.639 -9.322 0.987 1.00 0.00 C ATOM 1431 C ALA A 91 -8.322 -8.560 0.897 1.00 0.00 C ATOM 1432 O ALA A 91 -8.310 -7.342 0.716 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.806 -9.932 2.371 1.00 0.00 C ATOM 0 H ALA A 91 -9.476 -11.294 0.294 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.450 -8.614 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.746 -9.147 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.776 -10.425 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.015 -10.662 2.545 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.216 -9.283 1.026 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.892 -8.673 0.960 1.00 0.00 C ATOM 1441 C TRP A 92 -5.849 -7.578 -0.100 1.00 0.00 C ATOM 1442 O TRP A 92 -5.422 -6.455 0.172 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.833 -9.735 0.657 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.257 -10.367 1.887 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.388 -11.669 2.278 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.461 -9.724 2.889 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.721 -11.875 3.462 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.143 -10.697 3.857 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -2.984 -8.422 3.061 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.372 -10.406 4.979 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.218 -8.135 4.175 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.918 -9.123 5.122 1.00 0.00 C ATOM 0 H TRP A 92 -7.209 -10.292 1.177 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.678 -8.223 1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.275 -10.511 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.028 -9.281 0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.936 -12.426 1.736 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.665 -12.761 3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.210 -7.654 2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.140 -11.166 5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.844 -7.132 4.318 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.317 -8.867 5.982 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.294 -7.910 -1.307 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.307 -6.953 -2.406 1.00 0.00 C ATOM 1465 C ILE A 93 -7.084 -5.696 -2.031 1.00 0.00 C ATOM 1466 O ILE A 93 -6.608 -4.578 -2.228 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.925 -7.565 -3.677 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.062 -8.722 -4.184 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.081 -6.502 -4.754 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.648 -8.313 -4.533 1.00 0.00 C ATOM 0 H ILE A 93 -6.650 -8.835 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.269 -6.689 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.913 -7.954 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.029 -9.501 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.534 -9.158 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.519 -6.950 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.732 -5.708 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.104 -6.086 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.094 -9.183 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.671 -7.556 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.159 -7.905 -3.649 1.00 0.00 H new ATOM 1482 N SER A 94 -8.282 -5.887 -1.488 1.00 0.00 N ATOM 1483 CA SER A 94 -9.127 -4.768 -1.086 1.00 0.00 C ATOM 1484 C SER A 94 -8.404 -3.874 -0.084 1.00 0.00 C ATOM 1485 O SER A 94 -8.578 -2.655 -0.082 1.00 0.00 O ATOM 1486 CB SER A 94 -10.434 -5.281 -0.479 1.00 0.00 C ATOM 1487 OG SER A 94 -11.392 -5.554 -1.487 1.00 0.00 O ATOM 0 H SER A 94 -8.690 -6.806 -1.316 1.00 0.00 H new ATOM 0 HA SER A 94 -9.354 -4.179 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.240 -6.186 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.832 -4.540 0.214 1.00 0.00 H new ATOM 0 HG SER A 94 -12.218 -5.882 -1.073 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.590 -4.489 0.769 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.839 -3.750 1.777 1.00 0.00 C ATOM 1495 C VAL A 95 -5.627 -3.060 1.162 1.00 0.00 C ATOM 1496 O VAL A 95 -5.593 -1.835 1.037 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.367 -4.675 2.915 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.315 -3.917 4.232 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.275 -5.891 3.024 1.00 0.00 C ATOM 0 H VAL A 95 -7.434 -5.497 0.782 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.513 -2.998 2.186 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.360 -5.022 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.980 -4.586 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.620 -3.082 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.308 -3.538 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.927 -6.534 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.295 -5.566 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.255 -6.445 2.086 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.632 -3.853 0.778 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.417 -3.318 0.175 1.00 0.00 C ATOM 1511 C LEU A 96 -3.723 -2.082 -0.665 1.00 0.00 C ATOM 1512 O LEU A 96 -2.983 -1.098 -0.635 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.743 -4.384 -0.692 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.272 -5.643 0.036 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.220 -6.824 -0.920 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.912 -5.411 0.676 1.00 0.00 C ATOM 0 H LEU A 96 -4.643 -4.868 0.874 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.739 -3.029 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.441 -4.681 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.883 -3.931 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.988 -5.873 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.883 -7.711 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.214 -7.004 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.526 -6.605 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.592 -6.318 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.186 -5.156 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.982 -4.593 1.393 1.00 0.00 H new ATOM 1528 N THR A 97 -4.821 -2.139 -1.412 1.00 0.00 N ATOM 1529 CA THR A 97 -5.227 -1.024 -2.259 1.00 0.00 C ATOM 1530 C THR A 97 -5.880 0.082 -1.437 1.00 0.00 C ATOM 1531 O THR A 97 -5.534 1.254 -1.572 1.00 0.00 O ATOM 1532 CB THR A 97 -6.207 -1.480 -3.356 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.826 -2.769 -3.849 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.237 -0.482 -4.504 1.00 0.00 C ATOM 0 H THR A 97 -5.445 -2.945 -1.448 1.00 0.00 H new ATOM 0 HA THR A 97 -4.322 -0.638 -2.728 1.00 0.00 H new ATOM 0 HB THR A 97 -7.204 -1.538 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.221 -3.465 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.936 -0.825 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.556 0.492 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.241 -0.396 -4.938 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.826 -0.301 -0.586 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.528 0.659 0.259 1.00 0.00 C ATOM 1544 C ASN A 98 -6.541 1.560 0.995 1.00 0.00 C ATOM 1545 O ASN A 98 -6.452 2.756 0.721 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.418 -0.071 1.266 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.745 -0.493 0.665 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.116 -0.050 -0.422 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.469 -1.353 1.373 1.00 0.00 N ATOM 0 H ASN A 98 -7.124 -1.269 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.152 1.281 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.894 -0.952 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.600 0.578 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.371 -1.672 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.123 -1.694 2.270 1.00 0.00 H new ATOM 1556 N SER A 99 -5.800 0.975 1.931 1.00 0.00 N ATOM 1557 CA SER A 99 -4.821 1.725 2.710 1.00 0.00 C ATOM 1558 C SER A 99 -4.064 2.711 1.826 1.00 0.00 C ATOM 1559 O SER A 99 -3.865 3.869 2.196 1.00 0.00 O ATOM 1560 CB SER A 99 -3.836 0.769 3.386 1.00 0.00 C ATOM 1561 OG SER A 99 -3.359 1.308 4.607 1.00 0.00 O ATOM 0 H SER A 99 -5.859 -0.015 2.168 1.00 0.00 H new ATOM 0 HA SER A 99 -5.356 2.287 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.323 -0.188 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.997 0.574 2.718 1.00 0.00 H new ATOM 0 HG SER A 99 -3.722 0.791 5.357 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.644 2.245 0.655 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.910 3.084 -0.285 1.00 0.00 C ATOM 1569 C LYS A 100 -3.726 4.314 -0.668 1.00 0.00 C ATOM 1570 O LYS A 100 -3.299 5.447 -0.448 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.551 2.286 -1.540 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.872 3.116 -2.615 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.475 2.265 -3.810 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.246 2.826 -4.510 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.248 2.515 -5.967 1.00 0.00 N ATOM 0 H LYS A 100 -3.800 1.289 0.334 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.993 3.415 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.895 1.462 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.459 1.845 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.543 3.911 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.986 3.597 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.274 1.245 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.305 2.215 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.209 3.906 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.653 2.414 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.293 3.242 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.188 1.584 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.227 2.502 -6.318 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.903 4.083 -1.241 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.779 5.174 -1.654 1.00 0.00 C ATOM 1591 C GLU A 101 -6.078 6.105 -0.482 1.00 0.00 C ATOM 1592 O GLU A 101 -5.914 7.320 -0.585 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.086 4.620 -2.226 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.891 3.746 -3.453 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.766 4.554 -4.731 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.247 5.705 -4.754 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -6.187 4.033 -5.707 1.00 0.00 O ATOM 0 H GLU A 101 -5.272 3.151 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.266 5.745 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.594 4.041 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.742 5.452 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.996 3.138 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.733 3.059 -3.543 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.517 5.524 0.630 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.840 6.302 1.820 1.00 0.00 C ATOM 1606 C GLU A 102 -5.625 7.090 2.302 1.00 0.00 C ATOM 1607 O GLU A 102 -5.759 8.071 3.032 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.341 5.383 2.937 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.772 4.911 2.741 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.792 5.957 3.146 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -10.178 6.774 2.285 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.204 5.958 4.325 1.00 0.00 O ATOM 0 H GLU A 102 -6.657 4.519 0.732 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.628 7.008 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.686 4.514 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.268 5.909 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.923 4.647 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.935 4.005 3.325 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.441 6.652 1.887 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.203 7.316 2.274 1.00 0.00 C ATOM 1621 C ALA A 103 -2.772 8.332 1.222 1.00 0.00 C ATOM 1622 O ALA A 103 -1.985 9.236 1.502 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.102 6.290 2.502 1.00 0.00 C ATOM 0 H ALA A 103 -4.313 5.840 1.283 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.384 7.852 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.183 6.800 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.401 5.605 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.932 5.728 1.583 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.293 8.177 0.009 1.00 0.00 N ATOM 1630 CA LEU A 104 -2.962 9.081 -1.087 1.00 0.00 C ATOM 1631 C LEU A 104 -3.930 10.259 -1.132 1.00 0.00 C ATOM 1632 O LEU A 104 -3.514 11.417 -1.182 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.991 8.330 -2.419 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.693 7.631 -2.825 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.885 6.860 -4.121 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.565 8.643 -2.966 1.00 0.00 C ATOM 0 H LEU A 104 -3.946 7.434 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.957 9.467 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.784 7.583 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.261 9.035 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.423 6.922 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.951 6.369 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.663 6.109 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.179 7.548 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.351 8.129 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.827 9.375 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.411 9.151 -2.014 1.00 0.00 H new ATOM 1648 N THR A 105 -5.224 9.956 -1.112 1.00 0.00 N ATOM 1649 CA THR A 105 -6.251 10.989 -1.150 1.00 0.00 C ATOM 1650 C THR A 105 -5.950 12.101 -0.152 1.00 0.00 C ATOM 1651 O THR A 105 -6.238 13.271 -0.405 1.00 0.00 O ATOM 1652 CB THR A 105 -7.645 10.407 -0.847 1.00 0.00 C ATOM 1653 OG1 THR A 105 -8.645 11.418 -1.016 1.00 0.00 O ATOM 1654 CG2 THR A 105 -7.706 9.859 0.571 1.00 0.00 C ATOM 0 H THR A 105 -5.586 9.003 -1.070 1.00 0.00 H new ATOM 0 HA THR A 105 -6.248 11.400 -2.160 1.00 0.00 H new ATOM 0 HB THR A 105 -7.833 9.590 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.528 11.040 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.700 9.454 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.963 9.070 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.499 10.661 1.280 1.00 0.00 H new