USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 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 94 SER OG : rot -162:sc= 1.14 USER MOD Set 1.2: A 98 ASN : amide:sc= -3.33! C(o=-2.2!,f=-3.7!) USER MOD Set 2.1: A 58 CYS SG : rot 180:sc= -0.544 USER MOD Set 2.2: A 74 SER OG : rot 65:sc= 0.489 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 76:sc= 0.849 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0.0155 (180deg=0.0112) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.256 (180deg=-1.29) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0189 USER MOD Single : A 18 LYS NZ :NH3+ -115:sc= -0.163 (180deg=-0.723) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.269 (180deg=-1.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.225) USER MOD Single : A 32 CYS SG : rot -174:sc= -1.29 USER MOD Single : A 33 SER OG : rot 180:sc= -0.943 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.905 X(o=-0.91,f=-0.52) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0105 F(o=-0.96,f=-0.011) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.67! C(o=-6.7!,f=-8.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -0.387 (180deg=-1.97!) USER MOD Single : A 69 SER OG : rot 23:sc= 0.915 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0297 K(o=-0.03,f=-1.4) 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= 0.482 K(o=0.48,f=-1.6!) USER MOD Single : A 82 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.0082) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 99 SER OG : rot -176:sc= -0.931 USER MOD Single : A 100 LYS NZ :NH3+ 139:sc= 0.383 (180deg=-1.96!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.802 -2.703 3.288 1.00 0.00 N ATOM 67 CA TYR A 8 -13.045 -3.661 4.085 1.00 0.00 C ATOM 68 C TYR A 8 -12.242 -2.951 5.171 1.00 0.00 C ATOM 69 O TYR A 8 -12.396 -3.235 6.358 1.00 0.00 O ATOM 70 CB TYR A 8 -12.106 -4.472 3.189 1.00 0.00 C ATOM 71 CG TYR A 8 -12.822 -5.478 2.317 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.797 -5.075 1.413 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.522 -6.833 2.396 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.453 -5.991 0.615 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.172 -7.756 1.600 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.138 -7.331 0.712 1.00 0.00 C ATOM 77 OH TYR A 8 -14.788 -8.246 -0.083 1.00 0.00 O ATOM 0 HA TYR A 8 -13.753 -4.337 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.543 -3.788 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.382 -4.995 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.046 -4.027 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.768 -7.170 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.209 -5.660 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.925 -8.805 1.673 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.448 -9.145 0.108 1.00 0.00 H new ATOM 87 N GLY A 9 -11.385 -2.024 4.754 1.00 0.00 N ATOM 88 CA GLY A 9 -10.570 -1.287 5.702 1.00 0.00 C ATOM 89 C GLY A 9 -9.105 -1.268 5.317 1.00 0.00 C ATOM 90 O GLY A 9 -8.624 -2.173 4.634 1.00 0.00 O ATOM 0 H GLY A 9 -11.241 -1.770 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.937 -0.263 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.677 -1.733 6.691 1.00 0.00 H new ATOM 94 N SER A 10 -8.393 -0.234 5.753 1.00 0.00 N ATOM 95 CA SER A 10 -6.974 -0.098 5.444 1.00 0.00 C ATOM 96 C SER A 10 -6.117 -0.725 6.540 1.00 0.00 C ATOM 97 O SER A 10 -5.052 -0.211 6.879 1.00 0.00 O ATOM 98 CB SER A 10 -6.606 1.377 5.275 1.00 0.00 C ATOM 99 OG SER A 10 -7.187 2.168 6.297 1.00 0.00 O ATOM 0 H SER A 10 -8.775 0.522 6.321 1.00 0.00 H new ATOM 0 HA SER A 10 -6.779 -0.623 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.522 1.489 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.944 1.730 4.301 1.00 0.00 H new ATOM 0 HG SER A 10 -6.684 2.048 7.129 1.00 0.00 H new ATOM 105 N GLU A 11 -6.592 -1.840 7.088 1.00 0.00 N ATOM 106 CA GLU A 11 -5.870 -2.537 8.146 1.00 0.00 C ATOM 107 C GLU A 11 -6.201 -4.026 8.141 1.00 0.00 C ATOM 108 O GLU A 11 -7.369 -4.415 8.096 1.00 0.00 O ATOM 109 CB GLU A 11 -6.210 -1.933 9.510 1.00 0.00 C ATOM 110 CG GLU A 11 -5.650 -0.535 9.714 1.00 0.00 C ATOM 111 CD GLU A 11 -6.557 0.544 9.153 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.769 0.283 9.008 1.00 0.00 O ATOM 113 OE2 GLU A 11 -6.054 1.649 8.859 1.00 0.00 O ATOM 0 H GLU A 11 -7.472 -2.279 6.817 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.802 -2.419 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.294 -1.901 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.826 -2.587 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.499 -0.360 10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.672 -0.466 9.238 1.00 0.00 H new ATOM 120 N LYS A 12 -5.165 -4.857 8.186 1.00 0.00 N ATOM 121 CA LYS A 12 -5.343 -6.304 8.187 1.00 0.00 C ATOM 122 C LYS A 12 -4.080 -7.008 8.672 1.00 0.00 C ATOM 123 O LYS A 12 -2.970 -6.663 8.267 1.00 0.00 O ATOM 124 CB LYS A 12 -5.706 -6.795 6.783 1.00 0.00 C ATOM 125 CG LYS A 12 -5.828 -8.305 6.680 1.00 0.00 C ATOM 126 CD LYS A 12 -6.300 -8.733 5.300 1.00 0.00 C ATOM 127 CE LYS A 12 -6.281 -10.247 5.149 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.434 -10.887 5.841 1.00 0.00 N ATOM 0 H LYS A 12 -4.192 -4.552 8.222 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.157 -6.544 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.650 -6.341 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.948 -6.451 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.863 -8.764 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.528 -8.667 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.310 -8.362 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.662 -8.282 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.303 -10.507 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.349 -10.641 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.453 -11.902 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.336 -10.761 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.320 -10.445 5.521 1.00 0.00 H new ATOM 142 N LYS A 13 -4.256 -7.997 9.541 1.00 0.00 N ATOM 143 CA LYS A 13 -3.131 -8.752 10.080 1.00 0.00 C ATOM 144 C LYS A 13 -3.375 -10.253 9.960 1.00 0.00 C ATOM 145 O LYS A 13 -4.377 -10.770 10.451 1.00 0.00 O ATOM 146 CB LYS A 13 -2.895 -8.379 11.546 1.00 0.00 C ATOM 147 CG LYS A 13 -1.558 -8.855 12.087 1.00 0.00 C ATOM 148 CD LYS A 13 -1.206 -8.162 13.392 1.00 0.00 C ATOM 149 CE LYS A 13 -0.735 -6.735 13.157 1.00 0.00 C ATOM 150 NZ LYS A 13 0.726 -6.672 12.878 1.00 0.00 N ATOM 0 H LYS A 13 -5.168 -8.295 9.888 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.244 -8.498 9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.955 -7.296 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.695 -8.803 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.591 -9.933 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.778 -8.664 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.077 -8.155 14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.425 -8.724 13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.284 -6.305 12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.964 -6.128 14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.942 -5.799 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.251 -6.678 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.006 -7.495 12.307 1.00 0.00 H new ATOM 164 N GLY A 14 -2.451 -10.948 9.304 1.00 0.00 N ATOM 165 CA GLY A 14 -2.584 -12.382 9.132 1.00 0.00 C ATOM 166 C GLY A 14 -1.314 -13.024 8.609 1.00 0.00 C ATOM 167 O GLY A 14 -0.213 -12.683 9.044 1.00 0.00 O ATOM 0 H GLY A 14 -1.612 -10.543 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.850 -12.836 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.402 -12.588 8.442 1.00 0.00 H new ATOM 171 N TYR A 15 -1.465 -13.957 7.676 1.00 0.00 N ATOM 172 CA TYR A 15 -0.322 -14.651 7.096 1.00 0.00 C ATOM 173 C TYR A 15 -0.479 -14.794 5.586 1.00 0.00 C ATOM 174 O TYR A 15 -1.590 -14.959 5.078 1.00 0.00 O ATOM 175 CB TYR A 15 -0.158 -16.031 7.736 1.00 0.00 C ATOM 176 CG TYR A 15 0.536 -15.997 9.079 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.137 -15.579 10.220 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.865 -16.383 9.206 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.494 -15.546 11.449 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.503 -16.355 10.431 1.00 0.00 C ATOM 181 CZ TYR A 15 1.813 -15.935 11.549 1.00 0.00 C ATOM 182 OH TYR A 15 2.445 -15.904 12.771 1.00 0.00 O ATOM 0 H TYR A 15 -2.369 -14.250 7.305 1.00 0.00 H new ATOM 0 HA TYR A 15 0.570 -14.057 7.295 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.141 -16.486 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.409 -16.671 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.171 -15.275 10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.408 -16.710 8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.043 -15.217 12.326 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.536 -16.660 10.513 1.00 0.00 H new ATOM 0 HH TYR A 15 3.370 -16.210 12.669 1.00 0.00 H new ATOM 192 N LEU A 16 0.639 -14.731 4.872 1.00 0.00 N ATOM 193 CA LEU A 16 0.628 -14.854 3.419 1.00 0.00 C ATOM 194 C LEU A 16 1.831 -15.654 2.930 1.00 0.00 C ATOM 195 O LEU A 16 2.719 -15.999 3.711 1.00 0.00 O ATOM 196 CB LEU A 16 0.625 -13.469 2.770 1.00 0.00 C ATOM 197 CG LEU A 16 -0.750 -12.853 2.507 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.607 -11.438 1.969 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.544 -13.717 1.538 1.00 0.00 C ATOM 0 H LEU A 16 1.566 -14.595 5.276 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.279 -15.386 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.189 -12.789 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.159 -13.533 1.822 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.293 -12.807 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.596 -11.016 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.078 -10.823 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.045 -11.459 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.520 -13.264 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.005 -13.795 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.677 -14.712 1.963 1.00 0.00 H new ATOM 211 N LEU A 17 1.855 -15.945 1.634 1.00 0.00 N ATOM 212 CA LEU A 17 2.950 -16.703 1.040 1.00 0.00 C ATOM 213 C LEU A 17 3.792 -15.819 0.126 1.00 0.00 C ATOM 214 O LEU A 17 3.270 -14.930 -0.548 1.00 0.00 O ATOM 215 CB LEU A 17 2.404 -17.896 0.254 1.00 0.00 C ATOM 216 CG LEU A 17 1.412 -18.792 0.996 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.443 -19.440 0.019 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.150 -19.853 1.800 1.00 0.00 C ATOM 0 H LEU A 17 1.128 -15.667 0.974 1.00 0.00 H new ATOM 0 HA LEU A 17 3.585 -17.068 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.920 -17.520 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.246 -18.509 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 17 0.840 -18.173 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.255 -20.074 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.110 -18.666 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.999 -20.046 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.428 -20.482 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.748 -20.468 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.803 -19.370 2.527 1.00 0.00 H new ATOM 230 N LYS A 18 5.096 -16.069 0.106 1.00 0.00 N ATOM 231 CA LYS A 18 6.011 -15.299 -0.729 1.00 0.00 C ATOM 232 C LYS A 18 7.065 -16.203 -1.360 1.00 0.00 C ATOM 233 O LYS A 18 7.665 -17.040 -0.685 1.00 0.00 O ATOM 234 CB LYS A 18 6.691 -14.206 0.099 1.00 0.00 C ATOM 235 CG LYS A 18 7.071 -12.978 -0.710 1.00 0.00 C ATOM 236 CD LYS A 18 7.755 -11.931 0.153 1.00 0.00 C ATOM 237 CE LYS A 18 9.262 -12.134 0.187 1.00 0.00 C ATOM 238 NZ LYS A 18 9.872 -11.979 -1.162 1.00 0.00 N ATOM 0 H LYS A 18 5.544 -16.800 0.659 1.00 0.00 H new ATOM 0 HA LYS A 18 5.431 -14.835 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.024 -13.906 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.588 -14.618 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.734 -13.269 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.177 -12.549 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.529 -10.937 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.358 -11.978 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.710 -11.415 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.486 -13.128 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.275 -12.888 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.143 -11.678 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.625 -11.263 -1.122 1.00 0.00 H new ATOM 252 N LYS A 19 7.286 -16.029 -2.658 1.00 0.00 N ATOM 253 CA LYS A 19 8.269 -16.827 -3.381 1.00 0.00 C ATOM 254 C LYS A 19 9.649 -16.700 -2.742 1.00 0.00 C ATOM 255 O LYS A 19 10.078 -15.604 -2.382 1.00 0.00 O ATOM 256 CB LYS A 19 8.332 -16.392 -4.847 1.00 0.00 C ATOM 257 CG LYS A 19 8.859 -17.470 -5.779 1.00 0.00 C ATOM 258 CD LYS A 19 7.735 -18.339 -6.318 1.00 0.00 C ATOM 259 CE LYS A 19 7.052 -17.690 -7.512 1.00 0.00 C ATOM 260 NZ LYS A 19 8.026 -17.326 -8.578 1.00 0.00 N ATOM 0 H LYS A 19 6.797 -15.342 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 19 7.959 -17.871 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.335 -16.097 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.968 -15.510 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.392 -17.006 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.578 -18.093 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.133 -19.311 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.002 -18.517 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.306 -18.373 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.521 -16.796 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.609 -17.521 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.257 -16.315 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.893 -17.888 -8.463 1.00 0.00 H new ATOM 385 N TRP A 27 6.679 -21.605 -2.512 1.00 0.00 N ATOM 386 CA TRP A 27 5.879 -20.675 -1.723 1.00 0.00 C ATOM 387 C TRP A 27 5.978 -20.997 -0.236 1.00 0.00 C ATOM 388 O TRP A 27 5.593 -22.081 0.200 1.00 0.00 O ATOM 389 CB TRP A 27 4.417 -20.720 -2.171 1.00 0.00 C ATOM 390 CG TRP A 27 4.214 -20.262 -3.583 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.138 -21.049 -4.697 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.062 -18.911 -4.032 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.949 -20.268 -5.812 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.897 -18.953 -5.431 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.046 -17.671 -3.389 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.722 -17.802 -6.194 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.872 -16.529 -4.149 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.711 -16.601 -5.539 1.00 0.00 C ATOM 0 HA TRP A 27 6.270 -19.671 -1.885 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.045 -21.740 -2.070 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.821 -20.096 -1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.215 -22.126 -4.701 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.862 -20.612 -6.768 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.167 -17.605 -2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.599 -17.855 -7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.860 -15.565 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.576 -15.691 -6.104 1.00 0.00 H new ATOM 409 N GLN A 28 6.496 -20.048 0.537 1.00 0.00 N ATOM 410 CA GLN A 28 6.646 -20.233 1.976 1.00 0.00 C ATOM 411 C GLN A 28 5.689 -19.327 2.743 1.00 0.00 C ATOM 412 O GLN A 28 5.452 -18.184 2.352 1.00 0.00 O ATOM 413 CB GLN A 28 8.088 -19.948 2.400 1.00 0.00 C ATOM 414 CG GLN A 28 9.112 -20.836 1.712 1.00 0.00 C ATOM 415 CD GLN A 28 9.110 -22.253 2.250 1.00 0.00 C ATOM 416 OE1 GLN A 28 9.529 -22.500 3.381 1.00 0.00 O ATOM 417 NE2 GLN A 28 8.638 -23.193 1.440 1.00 0.00 N ATOM 0 H GLN A 28 6.819 -19.144 0.192 1.00 0.00 H new ATOM 0 HA GLN A 28 6.404 -21.269 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.321 -18.905 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.173 -20.078 3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.908 -20.857 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.105 -20.405 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.301 -22.943 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.612 -24.165 1.747 1.00 0.00 H new ATOM 426 N ARG A 29 5.141 -19.845 3.838 1.00 0.00 N ATOM 427 CA ARG A 29 4.208 -19.083 4.660 1.00 0.00 C ATOM 428 C ARG A 29 4.955 -18.129 5.588 1.00 0.00 C ATOM 429 O ARG A 29 5.914 -18.519 6.254 1.00 0.00 O ATOM 430 CB ARG A 29 3.330 -20.029 5.481 1.00 0.00 C ATOM 431 CG ARG A 29 2.351 -19.310 6.396 1.00 0.00 C ATOM 432 CD ARG A 29 1.946 -20.182 7.573 1.00 0.00 C ATOM 433 NE ARG A 29 0.811 -19.624 8.303 1.00 0.00 N ATOM 434 CZ ARG A 29 0.332 -20.145 9.427 1.00 0.00 C ATOM 435 NH1 ARG A 29 0.888 -21.230 9.949 1.00 0.00 N ATOM 436 NH2 ARG A 29 -0.705 -19.580 10.032 1.00 0.00 N ATOM 0 H ARG A 29 5.327 -20.789 4.176 1.00 0.00 H new ATOM 0 HA ARG A 29 3.574 -18.494 3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.773 -20.675 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.970 -20.675 6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.804 -18.389 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.464 -19.026 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.691 -21.179 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.793 -20.293 8.250 1.00 0.00 H new ATOM 0 HE ARG A 29 0.361 -18.788 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.686 -21.667 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.518 -21.628 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.135 -18.745 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.072 -19.981 10.895 1.00 0.00 H new ATOM 450 N ARG A 30 4.509 -16.878 5.625 1.00 0.00 N ATOM 451 CA ARG A 30 5.135 -15.869 6.470 1.00 0.00 C ATOM 452 C ARG A 30 4.089 -14.926 7.057 1.00 0.00 C ATOM 453 O ARG A 30 3.088 -14.613 6.413 1.00 0.00 O ATOM 454 CB ARG A 30 6.164 -15.069 5.668 1.00 0.00 C ATOM 455 CG ARG A 30 7.320 -14.550 6.507 1.00 0.00 C ATOM 456 CD ARG A 30 7.972 -15.666 7.308 1.00 0.00 C ATOM 457 NE ARG A 30 7.356 -15.829 8.622 1.00 0.00 N ATOM 458 CZ ARG A 30 7.390 -16.963 9.314 1.00 0.00 C ATOM 459 NH1 ARG A 30 8.007 -18.027 8.819 1.00 0.00 N ATOM 460 NH2 ARG A 30 6.805 -17.033 10.503 1.00 0.00 N ATOM 0 H ARG A 30 3.717 -16.539 5.080 1.00 0.00 H new ATOM 0 HA ARG A 30 5.640 -16.380 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.559 -15.698 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.665 -14.225 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.062 -14.085 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.960 -13.776 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.897 -16.602 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.034 -15.452 7.430 1.00 0.00 H new ATOM 0 HE ARG A 30 6.873 -15.029 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.457 -17.976 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.032 -18.896 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.329 -16.216 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.831 -17.904 11.034 1.00 0.00 H new ATOM 474 N LYS A 31 4.328 -14.477 8.285 1.00 0.00 N ATOM 475 CA LYS A 31 3.408 -13.570 8.961 1.00 0.00 C ATOM 476 C LYS A 31 3.461 -12.178 8.338 1.00 0.00 C ATOM 477 O LYS A 31 4.486 -11.499 8.400 1.00 0.00 O ATOM 478 CB LYS A 31 3.744 -13.486 10.451 1.00 0.00 C ATOM 479 CG LYS A 31 2.592 -12.992 11.308 1.00 0.00 C ATOM 480 CD LYS A 31 2.589 -11.477 11.419 1.00 0.00 C ATOM 481 CE LYS A 31 1.988 -11.015 12.738 1.00 0.00 C ATOM 482 NZ LYS A 31 0.609 -11.542 12.934 1.00 0.00 N ATOM 0 H LYS A 31 5.152 -14.727 8.832 1.00 0.00 H new ATOM 0 HA LYS A 31 2.398 -13.964 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.050 -14.472 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.597 -12.821 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.648 -13.328 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.664 -13.430 12.303 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.609 -11.103 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.022 -11.052 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.623 -11.343 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.968 -9.926 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.172 -11.074 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.041 -11.353 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.650 -12.567 13.102 1.00 0.00 H new ATOM 496 N CYS A 32 2.350 -11.760 7.741 1.00 0.00 N ATOM 497 CA CYS A 32 2.271 -10.448 7.108 1.00 0.00 C ATOM 498 C CYS A 32 1.473 -9.476 7.970 1.00 0.00 C ATOM 499 O CYS A 32 0.740 -9.886 8.870 1.00 0.00 O ATOM 500 CB CYS A 32 1.630 -10.565 5.724 1.00 0.00 C ATOM 501 SG CYS A 32 2.791 -10.997 4.407 1.00 0.00 S ATOM 0 H CYS A 32 1.493 -12.310 7.682 1.00 0.00 H new ATOM 0 HA CYS A 32 3.285 -10.062 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.844 -11.319 5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.152 -9.618 5.476 1.00 0.00 H new ATOM 0 HG CYS A 32 2.182 -10.950 3.259 1.00 0.00 H new ATOM 507 N SER A 33 1.622 -8.185 7.691 1.00 0.00 N ATOM 508 CA SER A 33 0.920 -7.153 8.445 1.00 0.00 C ATOM 509 C SER A 33 0.810 -5.866 7.632 1.00 0.00 C ATOM 510 O SER A 33 1.770 -5.440 6.990 1.00 0.00 O ATOM 511 CB SER A 33 1.642 -6.876 9.765 1.00 0.00 C ATOM 512 OG SER A 33 2.963 -6.415 9.537 1.00 0.00 O ATOM 0 H SER A 33 2.223 -7.829 6.948 1.00 0.00 H new ATOM 0 HA SER A 33 -0.086 -7.514 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.088 -6.132 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.669 -7.785 10.366 1.00 0.00 H new ATOM 0 HG SER A 33 3.402 -6.244 10.396 1.00 0.00 H new ATOM 518 N VAL A 34 -0.368 -5.252 7.666 1.00 0.00 N ATOM 519 CA VAL A 34 -0.605 -4.013 6.934 1.00 0.00 C ATOM 520 C VAL A 34 -1.220 -2.950 7.838 1.00 0.00 C ATOM 521 O VAL A 34 -2.291 -3.151 8.412 1.00 0.00 O ATOM 522 CB VAL A 34 -1.532 -4.243 5.726 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.187 -2.939 5.299 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.758 -4.863 4.572 1.00 0.00 C ATOM 0 H VAL A 34 -1.173 -5.592 8.192 1.00 0.00 H new ATOM 0 HA VAL A 34 0.365 -3.666 6.577 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.319 -4.937 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.838 -3.122 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.776 -2.540 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.417 -2.219 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.428 -5.019 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.051 -4.195 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.341 -5.820 4.886 1.00 0.00 H new ATOM 534 N LYS A 35 -0.537 -1.817 7.959 1.00 0.00 N ATOM 535 CA LYS A 35 -1.016 -0.720 8.792 1.00 0.00 C ATOM 536 C LYS A 35 -0.389 0.603 8.362 1.00 0.00 C ATOM 537 O LYS A 35 0.803 0.668 8.066 1.00 0.00 O ATOM 538 CB LYS A 35 -0.698 -0.993 10.264 1.00 0.00 C ATOM 539 CG LYS A 35 -1.087 0.146 11.191 1.00 0.00 C ATOM 540 CD LYS A 35 -0.176 0.213 12.405 1.00 0.00 C ATOM 541 CE LYS A 35 -0.699 -0.651 13.542 1.00 0.00 C ATOM 542 NZ LYS A 35 0.110 -0.485 14.782 1.00 0.00 N ATOM 0 H LYS A 35 0.350 -1.634 7.491 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.096 -0.647 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.217 -1.899 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.370 -1.186 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.041 1.090 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.119 0.015 11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.826 -0.115 12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.091 1.246 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.737 -0.391 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.687 -1.698 13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.278 -1.090 15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.096 -0.757 14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.078 0.509 15.087 1.00 0.00 H new ATOM 556 N ASN A 36 -1.200 1.655 8.332 1.00 0.00 N ATOM 557 CA ASN A 36 -0.724 2.976 7.939 1.00 0.00 C ATOM 558 C ASN A 36 -0.229 2.969 6.496 1.00 0.00 C ATOM 559 O ASN A 36 0.603 3.789 6.110 1.00 0.00 O ATOM 560 CB ASN A 36 0.397 3.435 8.873 1.00 0.00 C ATOM 561 CG ASN A 36 -0.102 3.733 10.274 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.097 4.435 10.454 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.589 3.198 11.274 1.00 0.00 N ATOM 0 H ASN A 36 -2.190 1.618 8.575 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.559 3.673 8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.165 2.663 8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.867 4.328 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.301 3.363 12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.408 2.622 11.078 1.00 0.00 H new ATOM 570 N GLY A 37 -0.747 2.037 5.702 1.00 0.00 N ATOM 571 CA GLY A 37 -0.346 1.940 4.311 1.00 0.00 C ATOM 572 C GLY A 37 1.032 1.332 4.145 1.00 0.00 C ATOM 573 O GLY A 37 1.724 1.603 3.163 1.00 0.00 O ATOM 0 H GLY A 37 -1.438 1.347 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.073 1.337 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.358 2.934 3.863 1.00 0.00 H new ATOM 577 N ILE A 38 1.433 0.509 5.108 1.00 0.00 N ATOM 578 CA ILE A 38 2.738 -0.139 5.065 1.00 0.00 C ATOM 579 C ILE A 38 2.613 -1.643 5.280 1.00 0.00 C ATOM 580 O ILE A 38 1.837 -2.099 6.121 1.00 0.00 O ATOM 581 CB ILE A 38 3.691 0.443 6.126 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.900 1.940 5.889 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.022 -0.294 6.103 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.559 2.256 4.565 1.00 0.00 C ATOM 0 H ILE A 38 0.873 0.275 5.928 1.00 0.00 H new ATOM 0 HA ILE A 38 3.151 0.050 4.074 1.00 0.00 H new ATOM 0 HB ILE A 38 3.241 0.310 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.935 2.445 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.511 2.345 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.685 0.128 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.857 -1.350 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.479 -0.189 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.675 3.335 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.539 1.780 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.938 1.881 3.751 1.00 0.00 H new ATOM 596 N LEU A 39 3.382 -2.411 4.516 1.00 0.00 N ATOM 597 CA LEU A 39 3.360 -3.865 4.624 1.00 0.00 C ATOM 598 C LEU A 39 4.677 -4.390 5.185 1.00 0.00 C ATOM 599 O LEU A 39 5.731 -4.243 4.565 1.00 0.00 O ATOM 600 CB LEU A 39 3.088 -4.494 3.256 1.00 0.00 C ATOM 601 CG LEU A 39 3.411 -5.982 3.125 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.363 -6.821 3.839 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.507 -6.380 1.659 1.00 0.00 C ATOM 0 H LEU A 39 4.029 -2.050 3.815 1.00 0.00 H new ATOM 0 HA LEU A 39 2.559 -4.141 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.035 -4.349 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.664 -3.950 2.507 1.00 0.00 H new ATOM 0 HG LEU A 39 4.377 -6.167 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.610 -7.878 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.343 -6.556 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.384 -6.632 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.738 -7.443 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.556 -6.180 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.296 -5.803 1.176 1.00 0.00 H new ATOM 615 N THR A 40 4.610 -5.006 6.361 1.00 0.00 N ATOM 616 CA THR A 40 5.797 -5.555 7.005 1.00 0.00 C ATOM 617 C THR A 40 5.872 -7.066 6.824 1.00 0.00 C ATOM 618 O THR A 40 4.849 -7.752 6.823 1.00 0.00 O ATOM 619 CB THR A 40 5.821 -5.227 8.510 1.00 0.00 C ATOM 620 OG1 THR A 40 5.530 -3.840 8.715 1.00 0.00 O ATOM 621 CG2 THR A 40 7.177 -5.561 9.115 1.00 0.00 C ATOM 0 H THR A 40 3.746 -5.137 6.887 1.00 0.00 H new ATOM 0 HA THR A 40 6.660 -5.092 6.526 1.00 0.00 H new ATOM 0 HB THR A 40 5.061 -5.833 9.003 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.546 -3.641 9.674 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.170 -5.321 10.178 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.382 -6.624 8.984 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.951 -4.978 8.616 1.00 0.00 H new ATOM 629 N ILE A 41 7.088 -7.580 6.673 1.00 0.00 N ATOM 630 CA ILE A 41 7.295 -9.011 6.493 1.00 0.00 C ATOM 631 C ILE A 41 8.332 -9.545 7.476 1.00 0.00 C ATOM 632 O ILE A 41 9.509 -9.193 7.404 1.00 0.00 O ATOM 633 CB ILE A 41 7.749 -9.339 5.058 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.726 -8.819 4.045 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.949 -10.838 4.895 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.281 -8.676 2.645 1.00 0.00 C ATOM 0 H ILE A 41 7.945 -7.026 6.672 1.00 0.00 H new ATOM 0 HA ILE A 41 6.336 -9.494 6.681 1.00 0.00 H new ATOM 0 HB ILE A 41 8.702 -8.843 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.873 -9.497 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.354 -7.851 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.270 -11.054 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.710 -11.182 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.011 -11.354 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.501 -8.303 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.116 -7.975 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.627 -9.647 2.290 1.00 0.00 H new ATOM 648 N SER A 42 7.886 -10.397 8.393 1.00 0.00 N ATOM 649 CA SER A 42 8.775 -10.978 9.393 1.00 0.00 C ATOM 650 C SER A 42 9.715 -11.997 8.757 1.00 0.00 C ATOM 651 O SER A 42 9.398 -12.594 7.727 1.00 0.00 O ATOM 652 CB SER A 42 7.961 -11.642 10.505 1.00 0.00 C ATOM 653 OG SER A 42 8.668 -11.627 11.733 1.00 0.00 O ATOM 0 H SER A 42 6.915 -10.701 8.465 1.00 0.00 H new ATOM 0 HA SER A 42 9.374 -10.175 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.010 -11.123 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.731 -12.670 10.227 1.00 0.00 H new ATOM 0 HG SER A 42 8.126 -12.056 12.428 1.00 0.00 H new ATOM 767 N PRO A 50 12.357 -7.231 10.595 1.00 0.00 N ATOM 768 CA PRO A 50 11.364 -7.440 9.537 1.00 0.00 C ATOM 769 C PRO A 50 11.646 -6.590 8.302 1.00 0.00 C ATOM 770 O PRO A 50 12.653 -5.886 8.239 1.00 0.00 O ATOM 771 CB PRO A 50 10.050 -7.010 10.193 1.00 0.00 C ATOM 772 CG PRO A 50 10.454 -6.048 11.256 1.00 0.00 C ATOM 773 CD PRO A 50 11.792 -6.520 11.755 1.00 0.00 C ATOM 0 HA PRO A 50 11.360 -8.470 9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.381 -6.543 9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.519 -7.864 10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.520 -5.035 10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.722 -6.028 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.423 -5.686 12.062 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.690 -7.177 12.619 1.00 0.00 H new ATOM 781 N ALA A 51 10.750 -6.662 7.323 1.00 0.00 N ATOM 782 CA ALA A 51 10.902 -5.898 6.091 1.00 0.00 C ATOM 783 C ALA A 51 9.624 -5.136 5.757 1.00 0.00 C ATOM 784 O ALA A 51 8.603 -5.735 5.417 1.00 0.00 O ATOM 785 CB ALA A 51 11.286 -6.818 4.942 1.00 0.00 C ATOM 0 H ALA A 51 9.911 -7.242 7.359 1.00 0.00 H new ATOM 0 HA ALA A 51 11.700 -5.170 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.396 -6.233 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.230 -7.313 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.508 -7.568 4.801 1.00 0.00 H new ATOM 791 N LYS A 52 9.686 -3.813 5.856 1.00 0.00 N ATOM 792 CA LYS A 52 8.534 -2.968 5.563 1.00 0.00 C ATOM 793 C LYS A 52 8.506 -2.577 4.089 1.00 0.00 C ATOM 794 O LYS A 52 9.551 -2.352 3.476 1.00 0.00 O ATOM 795 CB LYS A 52 8.564 -1.710 6.435 1.00 0.00 C ATOM 796 CG LYS A 52 7.946 -1.908 7.809 1.00 0.00 C ATOM 797 CD LYS A 52 7.722 -0.582 8.515 1.00 0.00 C ATOM 798 CE LYS A 52 8.936 -0.176 9.338 1.00 0.00 C ATOM 799 NZ LYS A 52 8.814 1.214 9.858 1.00 0.00 N ATOM 0 H LYS A 52 10.523 -3.302 6.137 1.00 0.00 H new ATOM 0 HA LYS A 52 7.631 -3.537 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.598 -1.385 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.035 -0.908 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.996 -2.433 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.597 -2.538 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.505 0.192 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.850 -0.657 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.056 -0.867 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.834 -0.257 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.661 1.453 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.725 1.876 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.972 1.285 10.464 1.00 0.00 H new ATOM 813 N LEU A 53 7.306 -2.496 3.526 1.00 0.00 N ATOM 814 CA LEU A 53 7.142 -2.130 2.123 1.00 0.00 C ATOM 815 C LEU A 53 6.059 -1.069 1.960 1.00 0.00 C ATOM 816 O LEU A 53 4.882 -1.327 2.207 1.00 0.00 O ATOM 817 CB LEU A 53 6.792 -3.365 1.291 1.00 0.00 C ATOM 818 CG LEU A 53 7.970 -4.233 0.849 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.523 -5.670 0.629 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.602 -3.670 -0.416 1.00 0.00 C ATOM 0 H LEU A 53 6.432 -2.679 4.019 1.00 0.00 H new ATOM 0 HA LEU A 53 8.086 -1.716 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.107 -3.985 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.254 -3.038 0.401 1.00 0.00 H new ATOM 0 HG LEU A 53 8.719 -4.225 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.376 -6.272 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.118 -6.071 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.755 -5.698 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.439 -4.300 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.860 -3.647 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.960 -2.658 -0.225 1.00 0.00 H new ATOM 832 N ASN A 54 6.465 0.125 1.541 1.00 0.00 N ATOM 833 CA ASN A 54 5.529 1.225 1.343 1.00 0.00 C ATOM 834 C ASN A 54 4.570 0.924 0.196 1.00 0.00 C ATOM 835 O ASN A 54 4.990 0.747 -0.949 1.00 0.00 O ATOM 836 CB ASN A 54 6.287 2.524 1.061 1.00 0.00 C ATOM 837 CG ASN A 54 6.610 3.292 2.328 1.00 0.00 C ATOM 838 OD1 ASN A 54 7.493 2.905 3.094 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.894 4.387 2.554 1.00 0.00 N ATOM 0 H ASN A 54 7.436 0.355 1.332 1.00 0.00 H new ATOM 0 HA ASN A 54 4.948 1.343 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.212 2.294 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.691 3.153 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.066 4.945 3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.172 4.670 1.891 1.00 0.00 H new ATOM 846 N LEU A 55 3.280 0.866 0.509 1.00 0.00 N ATOM 847 CA LEU A 55 2.260 0.587 -0.495 1.00 0.00 C ATOM 848 C LEU A 55 2.005 1.811 -1.368 1.00 0.00 C ATOM 849 O LEU A 55 1.500 1.697 -2.485 1.00 0.00 O ATOM 850 CB LEU A 55 0.959 0.147 0.179 1.00 0.00 C ATOM 851 CG LEU A 55 0.946 -1.271 0.752 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.279 -1.592 1.411 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.195 -1.434 1.745 1.00 0.00 C ATOM 0 H LEU A 55 2.916 1.009 1.451 1.00 0.00 H new ATOM 0 HA LEU A 55 2.623 -0.220 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.737 0.845 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.150 0.231 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 55 0.791 -1.973 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.252 -2.605 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.077 -1.516 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.464 -0.885 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.189 -2.449 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.071 -0.723 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.144 -1.247 1.243 1.00 0.00 H new ATOM 865 N LEU A 56 2.359 2.983 -0.852 1.00 0.00 N ATOM 866 CA LEU A 56 2.171 4.230 -1.585 1.00 0.00 C ATOM 867 C LEU A 56 3.019 4.250 -2.852 1.00 0.00 C ATOM 868 O LEU A 56 2.612 4.799 -3.877 1.00 0.00 O ATOM 869 CB LEU A 56 2.530 5.425 -0.699 1.00 0.00 C ATOM 870 CG LEU A 56 2.142 5.307 0.776 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.260 6.656 1.468 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.730 4.756 0.914 1.00 0.00 C ATOM 0 H LEU A 56 2.778 3.096 0.071 1.00 0.00 H new ATOM 0 HA LEU A 56 1.121 4.300 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.606 5.586 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.051 6.314 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 56 2.830 4.613 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.980 6.553 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.288 7.011 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.596 7.372 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.471 4.679 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.028 5.425 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.678 3.769 0.455 1.00 0.00 H new ATOM 884 N THR A 57 4.201 3.646 -2.777 1.00 0.00 N ATOM 885 CA THR A 57 5.106 3.593 -3.919 1.00 0.00 C ATOM 886 C THR A 57 4.989 2.262 -4.652 1.00 0.00 C ATOM 887 O THR A 57 5.232 2.183 -5.857 1.00 0.00 O ATOM 888 CB THR A 57 6.569 3.800 -3.485 1.00 0.00 C ATOM 889 OG1 THR A 57 7.124 2.562 -3.025 1.00 0.00 O ATOM 890 CG2 THR A 57 6.665 4.844 -2.383 1.00 0.00 C ATOM 0 H THR A 57 4.554 3.187 -1.937 1.00 0.00 H new ATOM 0 HA THR A 57 4.816 4.401 -4.591 1.00 0.00 H new ATOM 0 HB THR A 57 7.133 4.153 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.055 2.702 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.708 4.973 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.269 5.793 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.087 4.516 -1.519 1.00 0.00 H new ATOM 898 N CYS A 58 4.615 1.219 -3.919 1.00 0.00 N ATOM 899 CA CYS A 58 4.466 -0.110 -4.501 1.00 0.00 C ATOM 900 C CYS A 58 3.197 -0.196 -5.343 1.00 0.00 C ATOM 901 O CYS A 58 2.290 0.623 -5.200 1.00 0.00 O ATOM 902 CB CYS A 58 4.434 -1.171 -3.400 1.00 0.00 C ATOM 903 SG CYS A 58 6.061 -1.818 -2.950 1.00 0.00 S ATOM 0 H CYS A 58 4.410 1.268 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 58 5.323 -0.294 -5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.967 -0.744 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.803 -1.998 -3.726 1.00 0.00 H new ATOM 0 HG CYS A 58 5.930 -2.707 -2.011 1.00 0.00 H new ATOM 909 N GLN A 59 3.142 -1.191 -6.222 1.00 0.00 N ATOM 910 CA GLN A 59 1.985 -1.382 -7.089 1.00 0.00 C ATOM 911 C GLN A 59 1.424 -2.792 -6.946 1.00 0.00 C ATOM 912 O GLN A 59 2.086 -3.773 -7.286 1.00 0.00 O ATOM 913 CB GLN A 59 2.365 -1.116 -8.547 1.00 0.00 C ATOM 914 CG GLN A 59 1.187 -0.707 -9.417 1.00 0.00 C ATOM 915 CD GLN A 59 1.594 0.207 -10.556 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.318 -0.340 -11.525 1.00 0.00 O flip ATOM 917 NE2 GLN A 59 1.260 1.393 -10.565 1.00 0.00 N flip ATOM 0 H GLN A 59 3.885 -1.877 -6.353 1.00 0.00 H new ATOM 0 HA GLN A 59 1.215 -0.673 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.120 -0.331 -8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.820 -2.014 -8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.713 -1.600 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.442 -0.204 -8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.703 1.772 -9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.540 1.996 -11.338 1.00 0.00 H new ATOM 926 N VAL A 60 0.199 -2.888 -6.440 1.00 0.00 N ATOM 927 CA VAL A 60 -0.453 -4.179 -6.252 1.00 0.00 C ATOM 928 C VAL A 60 -1.098 -4.662 -7.546 1.00 0.00 C ATOM 929 O VAL A 60 -2.104 -4.111 -7.994 1.00 0.00 O ATOM 930 CB VAL A 60 -1.526 -4.111 -5.150 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.169 -5.475 -4.946 1.00 0.00 C ATOM 932 CG2 VAL A 60 -0.923 -3.598 -3.851 1.00 0.00 C ATOM 0 H VAL A 60 -0.363 -2.087 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 60 0.322 -4.884 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.302 -3.413 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.925 -5.408 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.637 -5.799 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.406 -6.197 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.695 -3.556 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.127 -4.270 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.514 -2.600 -4.009 1.00 0.00 H new ATOM 942 N LYS A 61 -0.514 -5.696 -8.142 1.00 0.00 N ATOM 943 CA LYS A 61 -1.033 -6.256 -9.385 1.00 0.00 C ATOM 944 C LYS A 61 -1.732 -7.587 -9.131 1.00 0.00 C ATOM 945 O LYS A 61 -1.124 -8.656 -9.186 1.00 0.00 O ATOM 946 CB LYS A 61 0.101 -6.448 -10.394 1.00 0.00 C ATOM 947 CG LYS A 61 0.901 -5.184 -10.658 1.00 0.00 C ATOM 948 CD LYS A 61 -0.006 -4.002 -10.956 1.00 0.00 C ATOM 949 CE LYS A 61 0.663 -3.007 -11.892 1.00 0.00 C ATOM 950 NZ LYS A 61 0.467 -3.372 -13.322 1.00 0.00 N ATOM 0 H LYS A 61 0.319 -6.163 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.761 -5.555 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.774 -7.224 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.318 -6.806 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.522 -4.958 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.575 -5.348 -11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.933 -4.358 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.273 -3.503 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.258 -2.011 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.730 -2.962 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.938 -2.669 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.876 -4.312 -13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.550 -3.390 -13.539 1.00 0.00 H new ATOM 964 N PRO A 62 -3.042 -7.524 -8.848 1.00 0.00 N ATOM 965 CA PRO A 62 -3.853 -8.716 -8.582 1.00 0.00 C ATOM 966 C PRO A 62 -4.064 -9.564 -9.832 1.00 0.00 C ATOM 967 O PRO A 62 -4.466 -9.055 -10.878 1.00 0.00 O ATOM 968 CB PRO A 62 -5.185 -8.138 -8.097 1.00 0.00 C ATOM 969 CG PRO A 62 -5.251 -6.778 -8.703 1.00 0.00 C ATOM 970 CD PRO A 62 -3.832 -6.284 -8.766 1.00 0.00 C ATOM 0 HA PRO A 62 -3.375 -9.382 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.024 -8.755 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.222 -8.089 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.696 -6.815 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.870 -6.112 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.667 -5.645 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.571 -5.699 -7.884 1.00 0.00 H new ATOM 978 N ASN A 63 -3.790 -10.859 -9.716 1.00 0.00 N ATOM 979 CA ASN A 63 -3.950 -11.778 -10.837 1.00 0.00 C ATOM 980 C ASN A 63 -5.198 -11.437 -11.646 1.00 0.00 C ATOM 981 O ASN A 63 -6.120 -10.796 -11.142 1.00 0.00 O ATOM 982 CB ASN A 63 -4.032 -13.220 -10.334 1.00 0.00 C ATOM 983 CG ASN A 63 -5.279 -13.475 -9.510 1.00 0.00 C ATOM 984 OD1 ASN A 63 -5.203 -13.699 -8.302 1.00 0.00 O ATOM 985 ND2 ASN A 63 -6.435 -13.443 -10.162 1.00 0.00 N ATOM 0 H ASN A 63 -3.456 -11.296 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.080 -11.676 -11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.017 -13.900 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.151 -13.443 -9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.308 -13.608 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.450 -13.253 -11.164 1.00 0.00 H new ATOM 992 N ALA A 64 -5.220 -11.872 -12.901 1.00 0.00 N ATOM 993 CA ALA A 64 -6.356 -11.616 -13.778 1.00 0.00 C ATOM 994 C ALA A 64 -7.345 -12.776 -13.748 1.00 0.00 C ATOM 995 O ALA A 64 -8.558 -12.569 -13.706 1.00 0.00 O ATOM 996 CB ALA A 64 -5.878 -11.364 -15.201 1.00 0.00 C ATOM 0 H ALA A 64 -4.464 -12.403 -13.334 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.870 -10.725 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.737 -11.174 -15.845 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.216 -10.498 -15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.339 -12.239 -15.564 1.00 0.00 H new ATOM 1002 N GLU A 65 -6.820 -13.997 -13.771 1.00 0.00 N ATOM 1003 CA GLU A 65 -7.659 -15.190 -13.748 1.00 0.00 C ATOM 1004 C GLU A 65 -7.310 -16.077 -12.556 1.00 0.00 C ATOM 1005 O GLU A 65 -8.171 -16.406 -11.740 1.00 0.00 O ATOM 1006 CB GLU A 65 -7.498 -15.978 -15.049 1.00 0.00 C ATOM 1007 CG GLU A 65 -8.010 -15.240 -16.275 1.00 0.00 C ATOM 1008 CD GLU A 65 -9.496 -15.440 -16.498 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -10.292 -14.688 -15.896 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -9.864 -16.346 -17.274 1.00 0.00 O ATOM 0 H GLU A 65 -5.818 -14.186 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.697 -14.872 -13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.444 -16.215 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.029 -16.926 -14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.803 -14.175 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.465 -15.583 -17.155 1.00 0.00 H new ATOM 1017 N ASP A 66 -6.041 -16.461 -12.464 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.577 -17.310 -11.372 1.00 0.00 C ATOM 1019 C ASP A 66 -5.894 -16.679 -10.020 1.00 0.00 C ATOM 1020 O ASP A 66 -5.049 -16.016 -9.419 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.073 -17.556 -11.494 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.667 -17.985 -12.891 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -4.337 -18.875 -13.455 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -2.680 -17.432 -13.418 1.00 0.00 O ATOM 0 H ASP A 66 -5.316 -16.198 -13.132 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.100 -18.264 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.536 -16.646 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.774 -18.324 -10.780 1.00 0.00 H new ATOM 1029 N LYS A 67 -7.118 -16.888 -9.548 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.548 -16.341 -8.267 1.00 0.00 C ATOM 1031 C LYS A 67 -6.546 -16.678 -7.167 1.00 0.00 C ATOM 1032 O LYS A 67 -5.748 -17.605 -7.303 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.931 -16.882 -7.895 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.750 -15.927 -7.046 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.341 -14.804 -7.882 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.260 -13.917 -7.055 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.470 -12.588 -7.694 1.00 0.00 N ATOM 0 H LYS A 67 -7.830 -17.433 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.603 -15.257 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.482 -17.106 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.811 -17.822 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.552 -16.475 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.121 -15.506 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.537 -14.202 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.897 -15.226 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.222 -14.413 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.834 -13.779 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.101 -12.013 -7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.555 -12.104 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.900 -12.718 -8.632 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.595 -15.920 -6.076 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.694 -16.139 -4.951 1.00 0.00 C ATOM 1053 C LYS A 68 -4.243 -15.906 -5.362 1.00 0.00 C ATOM 1054 O LYS A 68 -3.375 -16.740 -5.109 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.859 -17.560 -4.409 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.918 -17.679 -3.327 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.294 -19.129 -3.071 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.147 -19.899 -2.434 1.00 0.00 C ATOM 1059 NZ LYS A 68 -5.190 -20.413 -3.453 1.00 0.00 N ATOM 0 H LYS A 68 -7.250 -15.148 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.951 -15.425 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.116 -18.226 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.904 -17.901 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.549 -17.230 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.805 -17.119 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.167 -19.170 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.575 -19.604 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.619 -19.251 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.546 -20.733 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.054 -21.435 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.570 -20.238 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.277 -19.925 -3.349 1.00 0.00 H new ATOM 1073 N SER A 69 -3.989 -14.765 -5.996 1.00 0.00 N ATOM 1074 CA SER A 69 -2.644 -14.424 -6.443 1.00 0.00 C ATOM 1075 C SER A 69 -2.514 -12.921 -6.675 1.00 0.00 C ATOM 1076 O SER A 69 -3.427 -12.280 -7.194 1.00 0.00 O ATOM 1077 CB SER A 69 -2.304 -15.180 -7.729 1.00 0.00 C ATOM 1078 OG SER A 69 -1.919 -16.515 -7.449 1.00 0.00 O ATOM 0 H SER A 69 -4.696 -14.062 -6.211 1.00 0.00 H new ATOM 0 HA SER A 69 -1.943 -14.717 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.167 -15.179 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.497 -14.668 -8.253 1.00 0.00 H new ATOM 0 HG SER A 69 -2.291 -16.788 -6.585 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.371 -12.366 -6.284 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.120 -10.938 -6.447 1.00 0.00 C ATOM 1086 C PHE A 70 0.376 -10.641 -6.403 1.00 0.00 C ATOM 1087 O PHE A 70 1.110 -11.211 -5.596 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.842 -10.144 -5.357 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.136 -10.168 -4.031 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.094 -9.293 -3.770 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.515 -11.066 -3.046 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.557 -9.313 -2.551 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.867 -11.090 -1.825 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.170 -10.212 -1.577 1.00 0.00 C ATOM 0 H PHE A 70 -0.605 -12.883 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.504 -10.635 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.950 -9.110 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.848 -10.546 -5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.213 -8.587 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.325 -11.755 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.368 -8.626 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.171 -11.795 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.677 -10.229 -0.624 1.00 0.00 H new ATOM 1104 N ASP A 71 0.821 -9.745 -7.277 1.00 0.00 N ATOM 1105 CA ASP A 71 2.229 -9.370 -7.338 1.00 0.00 C ATOM 1106 C ASP A 71 2.439 -7.958 -6.801 1.00 0.00 C ATOM 1107 O ASP A 71 1.705 -7.033 -7.151 1.00 0.00 O ATOM 1108 CB ASP A 71 2.741 -9.463 -8.776 1.00 0.00 C ATOM 1109 CG ASP A 71 3.121 -10.878 -9.165 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.454 -11.672 -8.261 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.085 -11.192 -10.374 1.00 0.00 O ATOM 0 H ASP A 71 0.227 -9.265 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 71 2.792 -10.064 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.973 -9.096 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.607 -8.812 -8.893 1.00 0.00 H new ATOM 1116 N LEU A 72 3.445 -7.799 -5.947 1.00 0.00 N ATOM 1117 CA LEU A 72 3.752 -6.500 -5.360 1.00 0.00 C ATOM 1118 C LEU A 72 4.983 -5.882 -6.016 1.00 0.00 C ATOM 1119 O LEU A 72 6.109 -6.322 -5.783 1.00 0.00 O ATOM 1120 CB LEU A 72 3.980 -6.640 -3.854 1.00 0.00 C ATOM 1121 CG LEU A 72 3.803 -5.366 -3.027 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.399 -4.808 -3.199 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.095 -5.638 -1.558 1.00 0.00 C ATOM 0 H LEU A 72 4.061 -8.554 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 72 2.901 -5.841 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.294 -7.396 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.990 -7.016 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 72 4.514 -4.622 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.292 -3.902 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.227 -4.574 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.670 -5.548 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.964 -4.720 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.409 -6.399 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.121 -5.990 -1.450 1.00 0.00 H new ATOM 1135 N ILE A 73 4.760 -4.860 -6.836 1.00 0.00 N ATOM 1136 CA ILE A 73 5.851 -4.181 -7.523 1.00 0.00 C ATOM 1137 C ILE A 73 6.437 -3.069 -6.659 1.00 0.00 C ATOM 1138 O ILE A 73 5.752 -2.102 -6.325 1.00 0.00 O ATOM 1139 CB ILE A 73 5.386 -3.582 -8.864 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.943 -4.694 -9.817 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.498 -2.754 -9.488 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.875 -4.260 -10.797 1.00 0.00 C ATOM 0 H ILE A 73 3.834 -4.485 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 73 6.618 -4.931 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 73 4.534 -2.928 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.810 -5.053 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.569 -5.535 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.154 -2.338 -10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.771 -1.943 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.368 -3.387 -9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.610 -5.099 -11.441 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.992 -3.929 -10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.253 -3.440 -11.407 1.00 0.00 H new ATOM 1154 N SER A 74 7.709 -3.213 -6.302 1.00 0.00 N ATOM 1155 CA SER A 74 8.388 -2.222 -5.475 1.00 0.00 C ATOM 1156 C SER A 74 9.369 -1.401 -6.307 1.00 0.00 C ATOM 1157 O SER A 74 9.645 -1.726 -7.462 1.00 0.00 O ATOM 1158 CB SER A 74 9.126 -2.908 -4.324 1.00 0.00 C ATOM 1159 OG SER A 74 9.358 -2.004 -3.257 1.00 0.00 O ATOM 0 H SER A 74 8.290 -4.006 -6.572 1.00 0.00 H new ATOM 0 HA SER A 74 7.635 -1.549 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.541 -3.755 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.076 -3.305 -4.682 1.00 0.00 H new ATOM 0 HG SER A 74 8.501 -1.721 -2.876 1.00 0.00 H new ATOM 1165 N HIS A 75 9.893 -0.335 -5.710 1.00 0.00 N ATOM 1166 CA HIS A 75 10.844 0.533 -6.394 1.00 0.00 C ATOM 1167 C HIS A 75 11.924 -0.287 -7.092 1.00 0.00 C ATOM 1168 O HIS A 75 12.799 -0.860 -6.444 1.00 0.00 O ATOM 1169 CB HIS A 75 11.486 1.503 -5.402 1.00 0.00 C ATOM 1170 CG HIS A 75 11.881 2.812 -6.014 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.044 3.906 -6.057 1.00 0.00 N ATOM 1172 CD2 HIS A 75 13.034 3.199 -6.609 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.663 4.909 -6.653 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.873 4.506 -6.997 1.00 0.00 N ATOM 0 H HIS A 75 9.675 -0.052 -4.755 1.00 0.00 H new ATOM 0 HA HIS A 75 10.301 1.102 -7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.789 1.689 -4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 75 12.368 1.034 -4.967 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.916 2.592 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.250 5.891 -6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.574 5.074 -7.473 1.00 0.00 H new ATOM 1183 N ASN A 76 11.856 -0.340 -8.419 1.00 0.00 N ATOM 1184 CA ASN A 76 12.828 -1.091 -9.205 1.00 0.00 C ATOM 1185 C ASN A 76 12.973 -2.514 -8.674 1.00 0.00 C ATOM 1186 O ASN A 76 14.070 -3.073 -8.657 1.00 0.00 O ATOM 1187 CB ASN A 76 14.186 -0.387 -9.185 1.00 0.00 C ATOM 1188 CG ASN A 76 14.218 0.831 -10.088 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.247 1.127 -10.785 1.00 0.00 O ATOM 1190 ND2 ASN A 76 15.339 1.544 -10.080 1.00 0.00 N ATOM 0 H ASN A 76 11.138 0.128 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 76 12.467 -1.140 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.421 -0.086 -8.164 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.960 -1.088 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.420 2.374 -10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.119 1.262 -9.486 1.00 0.00 H new ATOM 1197 N ARG A 77 11.858 -3.095 -8.242 1.00 0.00 N ATOM 1198 CA ARG A 77 11.861 -4.453 -7.710 1.00 0.00 C ATOM 1199 C ARG A 77 10.483 -5.094 -7.848 1.00 0.00 C ATOM 1200 O ARG A 77 9.463 -4.404 -7.849 1.00 0.00 O ATOM 1201 CB ARG A 77 12.288 -4.447 -6.241 1.00 0.00 C ATOM 1202 CG ARG A 77 13.795 -4.458 -6.045 1.00 0.00 C ATOM 1203 CD ARG A 77 14.165 -4.558 -4.573 1.00 0.00 C ATOM 1204 NE ARG A 77 15.548 -4.987 -4.384 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.155 -5.010 -3.202 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.504 -4.630 -2.112 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.415 -5.414 -3.111 1.00 0.00 N ATOM 0 H ARG A 77 10.942 -2.647 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 77 12.575 -5.041 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 77 11.873 -3.564 -5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.859 -5.317 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.227 -5.299 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.225 -3.550 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.018 -3.589 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.496 -5.262 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 77 16.077 -5.285 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.535 -4.319 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.972 -4.649 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.918 -5.707 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.881 -5.432 -2.204 1.00 0.00 H new ATOM 1221 N THR A 78 10.461 -6.418 -7.964 1.00 0.00 N ATOM 1222 CA THR A 78 9.209 -7.152 -8.104 1.00 0.00 C ATOM 1223 C THR A 78 9.132 -8.302 -7.108 1.00 0.00 C ATOM 1224 O THR A 78 10.060 -9.105 -6.998 1.00 0.00 O ATOM 1225 CB THR A 78 9.042 -7.710 -9.530 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.378 -6.705 -10.493 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.616 -8.186 -9.761 1.00 0.00 C ATOM 0 H THR A 78 11.296 -7.004 -7.964 1.00 0.00 H new ATOM 0 HA THR A 78 8.404 -6.446 -7.902 1.00 0.00 H new ATOM 0 HB THR A 78 9.715 -8.560 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.271 -7.069 -11.397 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.522 -8.576 -10.775 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.375 -8.973 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.928 -7.351 -9.628 1.00 0.00 H new ATOM 1235 N TYR A 79 8.022 -8.377 -6.383 1.00 0.00 N ATOM 1236 CA TYR A 79 7.825 -9.430 -5.393 1.00 0.00 C ATOM 1237 C TYR A 79 6.707 -10.376 -5.819 1.00 0.00 C ATOM 1238 O TYR A 79 5.908 -10.056 -6.700 1.00 0.00 O ATOM 1239 CB TYR A 79 7.501 -8.821 -4.028 1.00 0.00 C ATOM 1240 CG TYR A 79 8.698 -8.204 -3.340 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.339 -7.096 -3.881 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.187 -8.729 -2.151 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.434 -6.530 -3.257 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.280 -8.168 -1.519 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.900 -7.068 -2.076 1.00 0.00 C ATOM 1246 OH TYR A 79 11.990 -6.507 -1.450 1.00 0.00 O ATOM 0 H TYR A 79 7.245 -7.721 -6.462 1.00 0.00 H new ATOM 0 HA TYR A 79 8.750 -10.001 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.732 -8.059 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.082 -9.595 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.975 -6.670 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.705 -9.590 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.922 -5.671 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.647 -8.588 -0.594 1.00 0.00 H new ATOM 0 HH TYR A 79 12.188 -7.005 -0.630 1.00 0.00 H new ATOM 1256 N HIS A 80 6.655 -11.544 -5.186 1.00 0.00 N ATOM 1257 CA HIS A 80 5.634 -12.538 -5.498 1.00 0.00 C ATOM 1258 C HIS A 80 4.911 -12.990 -4.232 1.00 0.00 C ATOM 1259 O HIS A 80 5.525 -13.542 -3.319 1.00 0.00 O ATOM 1260 CB HIS A 80 6.262 -13.743 -6.198 1.00 0.00 C ATOM 1261 CG HIS A 80 6.927 -13.403 -7.497 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.283 -12.739 -8.520 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.186 -13.636 -7.935 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.117 -12.581 -9.532 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.279 -13.116 -9.202 1.00 0.00 N ATOM 0 H HIS A 80 7.308 -11.825 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 80 4.906 -12.078 -6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.995 -14.198 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.490 -14.490 -6.380 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.314 -12.420 -8.498 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.971 -14.138 -7.389 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.888 -12.097 -10.470 1.00 0.00 H new ATOM 1274 N PHE A 81 3.605 -12.751 -4.185 1.00 0.00 N ATOM 1275 CA PHE A 81 2.799 -13.131 -3.031 1.00 0.00 C ATOM 1276 C PHE A 81 1.643 -14.035 -3.449 1.00 0.00 C ATOM 1277 O PHE A 81 1.235 -14.040 -4.610 1.00 0.00 O ATOM 1278 CB PHE A 81 2.259 -11.885 -2.327 1.00 0.00 C ATOM 1279 CG PHE A 81 3.311 -11.111 -1.585 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.796 -11.566 -0.369 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.816 -9.930 -2.104 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.764 -10.856 0.315 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.785 -9.216 -1.424 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.260 -9.680 -0.213 1.00 0.00 C ATOM 0 H PHE A 81 3.082 -12.296 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 81 3.436 -13.682 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.794 -11.233 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.478 -12.183 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.413 -12.486 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.448 -9.563 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.133 -11.220 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.170 -8.296 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.018 -9.125 0.320 1.00 0.00 H new ATOM 1294 N GLN A 82 1.120 -14.797 -2.494 1.00 0.00 N ATOM 1295 CA GLN A 82 0.012 -15.706 -2.763 1.00 0.00 C ATOM 1296 C GLN A 82 -0.832 -15.921 -1.511 1.00 0.00 C ATOM 1297 O GLN A 82 -0.302 -16.182 -0.432 1.00 0.00 O ATOM 1298 CB GLN A 82 0.538 -17.048 -3.275 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.512 -17.877 -3.998 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.074 -19.312 -4.213 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.551 -20.226 -3.540 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.837 -19.518 -5.157 1.00 0.00 N ATOM 0 H GLN A 82 1.446 -14.803 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.617 -15.254 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.374 -16.867 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.926 -17.622 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.438 -17.866 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.730 -17.419 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.205 -18.731 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.168 -20.463 -5.348 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.147 -15.809 -1.664 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.064 -15.993 -0.546 1.00 0.00 C ATOM 1313 C ALA A 83 -3.227 -17.471 -0.207 1.00 0.00 C ATOM 1314 O ALA A 83 -2.771 -18.341 -0.949 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.416 -15.371 -0.864 1.00 0.00 C ATOM 0 H ALA A 83 -2.601 -15.592 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.641 -15.492 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.091 -15.516 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.291 -14.304 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.836 -15.847 -1.750 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.879 -17.747 0.918 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.100 -19.121 1.355 1.00 0.00 C ATOM 1323 C GLU A 84 -5.466 -19.624 0.898 1.00 0.00 C ATOM 1324 O GLU A 84 -5.617 -20.786 0.519 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.991 -19.219 2.878 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.572 -19.447 3.373 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.007 -20.782 2.928 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.796 -21.644 2.486 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -0.775 -20.965 3.022 1.00 0.00 O ATOM 0 H GLU A 84 -4.263 -17.038 1.543 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.331 -19.747 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.379 -18.302 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.624 -20.034 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.930 -18.645 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.558 -19.395 4.462 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.458 -18.742 0.938 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.813 -19.095 0.528 1.00 0.00 C ATOM 1338 C ASP A 85 -8.420 -17.999 -0.342 1.00 0.00 C ATOM 1339 O ASP A 85 -7.835 -16.929 -0.507 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.693 -19.335 1.756 1.00 0.00 C ATOM 1341 CG ASP A 85 -10.036 -19.940 1.395 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -10.098 -20.700 0.407 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -11.025 -19.652 2.101 1.00 0.00 O ATOM 0 H ASP A 85 -6.350 -17.777 1.250 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.762 -20.013 -0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.173 -19.997 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.851 -18.391 2.277 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.596 -18.275 -0.897 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.281 -17.313 -1.753 1.00 0.00 C ATOM 1350 C GLU A 86 -10.750 -16.106 -0.946 1.00 0.00 C ATOM 1351 O GLU A 86 -10.656 -14.967 -1.404 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.476 -17.973 -2.445 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.824 -17.346 -3.785 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.249 -17.639 -4.212 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -14.153 -16.866 -3.831 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.461 -18.640 -4.927 1.00 0.00 O ATOM 0 H GLU A 86 -10.094 -19.156 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.575 -16.971 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.261 -19.031 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.344 -17.913 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.681 -16.267 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.137 -17.717 -4.545 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.256 -16.364 0.256 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.740 -15.299 1.125 1.00 0.00 C ATOM 1365 C GLN A 87 -10.592 -14.408 1.588 1.00 0.00 C ATOM 1366 O GLN A 87 -10.727 -13.186 1.649 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.463 -15.890 2.337 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.831 -16.465 2.008 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.423 -17.257 3.158 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.937 -16.686 4.120 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.352 -18.580 3.064 1.00 0.00 N ATOM 0 H GLN A 87 -11.341 -17.301 0.650 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.440 -14.690 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.844 -16.674 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.576 -15.115 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.508 -15.653 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.749 -17.109 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.917 -19.011 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.733 -19.165 3.808 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.463 -15.028 1.912 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.290 -14.292 2.369 1.00 0.00 C ATOM 1382 C ASP A 88 -7.773 -13.362 1.276 1.00 0.00 C ATOM 1383 O ASP A 88 -7.436 -12.207 1.538 1.00 0.00 O ATOM 1384 CB ASP A 88 -7.187 -15.262 2.795 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.209 -14.634 3.769 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.657 -13.875 4.653 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.995 -14.902 3.647 1.00 0.00 O ATOM 0 H ASP A 88 -9.335 -16.039 1.867 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.582 -13.687 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.638 -16.142 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.647 -15.604 1.912 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.711 -13.874 0.052 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.232 -13.090 -1.081 1.00 0.00 C ATOM 1394 C TYR A 89 -8.126 -11.877 -1.322 1.00 0.00 C ATOM 1395 O TYR A 89 -7.689 -10.734 -1.190 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.177 -13.956 -2.341 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.016 -13.160 -3.616 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.768 -12.699 -4.017 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.111 -12.868 -4.420 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.615 -11.971 -5.181 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -7.967 -12.142 -5.586 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.718 -11.696 -5.962 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.571 -10.971 -7.123 1.00 0.00 O ATOM 0 H TYR A 89 -7.986 -14.828 -0.181 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.228 -12.737 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.348 -14.658 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.090 -14.548 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.902 -12.914 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.091 -13.215 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.638 -11.619 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.828 -11.925 -6.200 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.444 -10.866 -7.556 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.380 -12.136 -1.676 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.338 -11.068 -1.935 1.00 0.00 C ATOM 1415 C VAL A 90 -10.112 -9.888 -0.995 1.00 0.00 C ATOM 1416 O VAL A 90 -9.987 -8.746 -1.436 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.788 -11.563 -1.779 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.759 -10.393 -1.815 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -12.123 -12.579 -2.861 1.00 0.00 C ATOM 0 H VAL A 90 -9.757 -13.077 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.181 -10.746 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.884 -12.053 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.778 -10.763 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.531 -9.706 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.665 -9.871 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.151 -12.918 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.010 -12.117 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.448 -13.431 -2.782 1.00 0.00 H new ATOM 1429 N ALA A 91 -10.060 -10.174 0.302 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.846 -9.137 1.304 1.00 0.00 C ATOM 1431 C ALA A 91 -8.479 -8.482 1.133 1.00 0.00 C ATOM 1432 O ALA A 91 -8.383 -7.273 0.917 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.983 -9.719 2.703 1.00 0.00 C ATOM 0 H ALA A 91 -10.163 -11.114 0.683 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.607 -8.370 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.821 -8.934 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.983 -10.134 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.243 -10.507 2.843 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.427 -9.285 1.231 1.00 0.00 N ATOM 1440 CA TRP A 92 -6.065 -8.782 1.088 1.00 0.00 C ATOM 1441 C TRP A 92 -5.989 -7.722 -0.006 1.00 0.00 C ATOM 1442 O TRP A 92 -5.597 -6.583 0.249 1.00 0.00 O ATOM 1443 CB TRP A 92 -5.106 -9.930 0.770 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.520 -10.570 1.992 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.635 -11.879 2.367 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.731 -9.930 3.000 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.964 -12.090 3.547 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.400 -10.910 3.956 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.269 -8.624 3.187 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.630 -10.624 5.080 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.506 -8.341 4.304 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.192 -9.337 5.238 1.00 0.00 C ATOM 0 H TRP A 92 -7.490 -10.287 1.409 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.772 -8.325 2.033 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.636 -10.686 0.191 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.298 -9.555 0.142 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -5.174 -12.636 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.897 -12.981 4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.504 -7.850 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.387 -11.390 5.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.146 -7.335 4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.592 -9.084 6.100 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.366 -8.104 -1.221 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.341 -7.185 -2.352 1.00 0.00 C ATOM 1465 C ILE A 93 -7.107 -5.904 -2.037 1.00 0.00 C ATOM 1466 O ILE A 93 -6.633 -4.802 -2.311 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.939 -7.830 -3.616 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.121 -9.056 -4.025 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.995 -6.820 -4.751 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.712 -8.722 -4.466 1.00 0.00 C ATOM 0 H ILE A 93 -6.692 -9.043 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.295 -6.943 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.956 -8.153 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.076 -9.749 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.635 -9.571 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.420 -7.292 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.617 -5.975 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.988 -6.468 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.190 -9.638 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.749 -8.053 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.181 -8.234 -3.649 1.00 0.00 H new ATOM 1482 N SER A 94 -8.293 -6.059 -1.458 1.00 0.00 N ATOM 1483 CA SER A 94 -9.127 -4.915 -1.106 1.00 0.00 C ATOM 1484 C SER A 94 -8.398 -3.989 -0.138 1.00 0.00 C ATOM 1485 O SER A 94 -8.486 -2.766 -0.246 1.00 0.00 O ATOM 1486 CB SER A 94 -10.443 -5.388 -0.485 1.00 0.00 C ATOM 1487 OG SER A 94 -11.455 -4.406 -0.626 1.00 0.00 O ATOM 0 H SER A 94 -8.698 -6.965 -1.223 1.00 0.00 H new ATOM 0 HA SER A 94 -9.344 -4.360 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.762 -6.315 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.291 -5.610 0.571 1.00 0.00 H new ATOM 0 HG SER A 94 -12.180 -4.590 0.008 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.679 -4.582 0.810 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.933 -3.811 1.798 1.00 0.00 C ATOM 1495 C VAL A 95 -5.714 -3.145 1.170 1.00 0.00 C ATOM 1496 O VAL A 95 -5.672 -1.924 1.013 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.473 -4.698 2.971 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.433 -3.897 4.263 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.384 -5.908 3.112 1.00 0.00 C ATOM 0 H VAL A 95 -7.597 -5.593 0.915 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.608 -3.043 2.176 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.464 -5.053 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.106 -4.540 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.736 -3.066 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.428 -3.510 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.045 -6.524 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.405 -5.575 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.356 -6.494 2.193 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.723 -3.955 0.813 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.502 -3.444 0.200 1.00 0.00 C ATOM 1511 C LEU A 96 -3.797 -2.227 -0.671 1.00 0.00 C ATOM 1512 O LEU A 96 -3.190 -1.168 -0.504 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.833 -4.536 -0.637 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.394 -5.789 0.121 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.287 -6.975 -0.825 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.068 -5.547 0.827 1.00 0.00 C ATOM 0 H LEU A 96 -4.741 -4.967 0.937 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.824 -3.140 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.524 -4.836 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.959 -4.107 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.148 -6.018 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.973 -7.858 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.257 -7.162 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.554 -6.756 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.770 -6.449 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.305 -5.293 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.177 -4.725 1.535 1.00 0.00 H new ATOM 1528 N THR A 97 -4.734 -2.385 -1.601 1.00 0.00 N ATOM 1529 CA THR A 97 -5.110 -1.300 -2.498 1.00 0.00 C ATOM 1530 C THR A 97 -5.740 -0.144 -1.729 1.00 0.00 C ATOM 1531 O THR A 97 -5.362 1.012 -1.908 1.00 0.00 O ATOM 1532 CB THR A 97 -6.097 -1.781 -3.579 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.747 -3.102 -4.008 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.095 -0.837 -4.772 1.00 0.00 C ATOM 0 H THR A 97 -5.246 -3.254 -1.752 1.00 0.00 H new ATOM 0 HA THR A 97 -4.194 -0.956 -2.979 1.00 0.00 H new ATOM 0 HB THR A 97 -7.098 -1.793 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.308 -3.757 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.799 -1.197 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.390 0.161 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.095 -0.797 -5.203 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.703 -0.466 -0.871 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.386 0.547 -0.074 1.00 0.00 C ATOM 1544 C ASN A 98 -6.386 1.374 0.727 1.00 0.00 C ATOM 1545 O ASN A 98 -6.255 2.581 0.519 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.393 -0.112 0.872 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.662 -0.539 0.159 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.926 -0.118 -0.967 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.454 -1.379 0.815 1.00 0.00 N ATOM 0 H ASN A 98 -7.028 -1.419 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.918 1.212 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.932 -0.982 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.645 0.584 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.322 -1.701 0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.195 -1.702 1.747 1.00 0.00 H new ATOM 1556 N SER A 99 -5.682 0.718 1.643 1.00 0.00 N ATOM 1557 CA SER A 99 -4.695 1.393 2.478 1.00 0.00 C ATOM 1558 C SER A 99 -3.862 2.369 1.653 1.00 0.00 C ATOM 1559 O SER A 99 -3.560 3.477 2.097 1.00 0.00 O ATOM 1560 CB SER A 99 -3.781 0.369 3.154 1.00 0.00 C ATOM 1561 OG SER A 99 -3.204 0.900 4.334 1.00 0.00 O ATOM 0 H SER A 99 -5.777 -0.281 1.826 1.00 0.00 H new ATOM 0 HA SER A 99 -5.228 1.955 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.351 -0.528 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.993 0.069 2.463 1.00 0.00 H new ATOM 0 HG SER A 99 -2.577 0.249 4.713 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.493 1.949 0.447 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.695 2.784 -0.443 1.00 0.00 C ATOM 1569 C LYS A 100 -3.441 4.066 -0.800 1.00 0.00 C ATOM 1570 O LYS A 100 -2.959 5.168 -0.540 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.343 2.015 -1.718 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.585 2.845 -2.739 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.607 2.196 -4.113 1.00 0.00 C ATOM 1574 CE LYS A 100 -1.017 3.113 -5.173 1.00 0.00 C ATOM 1575 NZ LYS A 100 -2.033 4.056 -5.719 1.00 0.00 N ATOM 0 H LYS A 100 -3.734 1.035 0.064 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.776 3.052 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.744 1.144 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.261 1.644 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.025 3.840 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.553 2.972 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.045 1.263 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.633 1.942 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.190 3.679 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.606 2.513 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.605 4.996 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.369 3.709 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.835 4.121 -5.060 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.621 3.913 -1.394 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.433 5.060 -1.785 1.00 0.00 C ATOM 1591 C GLU A 101 -5.818 5.894 -0.567 1.00 0.00 C ATOM 1592 O GLU A 101 -5.478 7.074 -0.478 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.693 4.594 -2.517 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.405 3.761 -3.754 1.00 0.00 C ATOM 1595 CD GLU A 101 -5.418 4.429 -4.691 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -5.450 5.672 -4.800 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -4.613 3.707 -5.317 1.00 0.00 O ATOM 0 H GLU A 101 -5.035 3.007 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.840 5.681 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.307 4.010 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.279 5.467 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.012 2.791 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.337 3.575 -4.287 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.529 5.273 0.368 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.962 5.959 1.580 1.00 0.00 C ATOM 1606 C GLU A 102 -5.837 6.820 2.148 1.00 0.00 C ATOM 1607 O GLU A 102 -6.085 7.780 2.878 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.423 4.945 2.630 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.842 4.447 2.413 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.861 5.570 2.421 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.900 6.328 3.413 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.620 5.690 1.436 1.00 0.00 O ATOM 0 H GLU A 102 -6.818 4.296 0.310 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.798 6.608 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.743 4.093 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.354 5.401 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.896 3.919 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.094 3.727 3.192 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.601 6.469 1.809 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.439 7.209 2.283 1.00 0.00 C ATOM 1621 C ALA A 103 -3.036 8.294 1.289 1.00 0.00 C ATOM 1622 O ALA A 103 -2.536 9.350 1.677 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.276 6.262 2.534 1.00 0.00 C ATOM 0 H ALA A 103 -4.379 5.676 1.207 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.707 7.694 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.415 6.829 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.561 5.527 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.017 5.750 1.607 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.255 8.025 0.007 1.00 0.00 N ATOM 1630 CA LEU A 104 -2.914 8.978 -1.043 1.00 0.00 C ATOM 1631 C LEU A 104 -3.925 10.119 -1.093 1.00 0.00 C ATOM 1632 O LEU A 104 -3.553 11.289 -1.192 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.856 8.273 -2.400 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.547 7.555 -2.728 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.702 6.709 -3.982 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.416 8.559 -2.896 1.00 0.00 C ATOM 0 H LEU A 104 -3.667 7.155 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.933 9.396 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.667 7.546 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.047 9.011 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.299 6.894 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.760 6.205 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.483 5.965 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.974 7.349 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.508 8.030 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.656 9.245 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.289 9.122 -1.971 1.00 0.00 H new ATOM 1648 N THR A 105 -5.206 9.772 -1.022 1.00 0.00 N ATOM 1649 CA THR A 105 -6.271 10.766 -1.057 1.00 0.00 C ATOM 1650 C THR A 105 -6.070 11.826 0.019 1.00 0.00 C ATOM 1651 O THR A 105 -6.408 12.993 -0.175 1.00 0.00 O ATOM 1652 CB THR A 105 -7.654 10.115 -0.868 1.00 0.00 C ATOM 1653 OG1 THR A 105 -8.686 11.084 -1.085 1.00 0.00 O ATOM 1654 CG2 THR A 105 -7.789 9.526 0.528 1.00 0.00 C ATOM 0 H THR A 105 -5.531 8.809 -0.940 1.00 0.00 H new ATOM 0 HA THR A 105 -6.230 11.237 -2.039 1.00 0.00 H new ATOM 0 HB THR A 105 -7.754 9.310 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.562 10.662 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.774 9.072 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.021 8.767 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.669 10.316 1.269 1.00 0.00 H new