USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 828 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 MET CE :methyl 141:sc= -0.0431 (180deg=-1.23) USER MOD Set 3.1: A 66 SER OG : rot 173:sc= 0.717 USER MOD Set 3.2: A 84 LYS NZ :NH3+ -115:sc= 0.784 (180deg=-0.146) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 LYS NZ :NH3+ -165:sc= -0.872 (180deg=-1.49) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.00392 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.299 USER MOD Single : A 5 SER OG : rot -138:sc= 0.0332 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 151:sc= -2.13 (180deg=-3.87!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -129:sc= 0.41 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.073) USER MOD Single : A 26 HIS : no HD1:sc= -0.84! C(o=-0.84!,f=-12!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0486 USER MOD Single : A 42 SER OG : rot 64:sc= 0.582 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.33) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00119 X(o=-0.0012,f=-0.18) USER MOD Single : A 68 SER OG : rot 180:sc= -0.32 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.6!) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -5.51! C(o=-10!,f=-5.5!) USER MOD Single : A 89 HIS : no HD1:sc= -0.0661 X(o=-0.066,f=-0.005) USER MOD Single : A 90 SER OG : rot -160:sc= 0 USER MOD Single : A 91 THR OG1 : rot 85:sc= -6.81! USER MOD Single : A 92 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.18) USER MOD Single : A 99 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD Single : A 102 THR OG1 : rot -100:sc= -0.423 USER MOD Single : A 104 SER OG : rot -41:sc= 0.483 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.262 -14.290 6.480 1.00 0.00 N ATOM 2 CA GLY A 1 -1.795 -13.987 7.797 1.00 0.00 C ATOM 3 C GLY A 1 -0.868 -13.037 8.559 1.00 0.00 C ATOM 4 O GLY A 1 0.350 -13.206 8.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.832 -13.809 5.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.277 -13.962 6.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.295 -15.317 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.782 -13.536 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.921 -14.910 8.363 1.00 0.00 H new ATOM 8 N SER A 2 -1.481 -12.060 9.211 1.00 0.00 N ATOM 9 CA SER A 2 -0.726 -11.084 9.977 1.00 0.00 C ATOM 10 C SER A 2 -1.566 -10.577 11.151 1.00 0.00 C ATOM 11 O SER A 2 -1.150 -10.676 12.305 1.00 0.00 O ATOM 12 CB SER A 2 -0.284 -9.914 9.096 1.00 0.00 C ATOM 13 OG SER A 2 0.555 -10.338 8.026 1.00 0.00 O ATOM 0 H SER A 2 -2.492 -11.924 9.224 1.00 0.00 H new ATOM 0 HA SER A 2 0.170 -11.571 10.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.163 -9.413 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.247 -9.182 9.705 1.00 0.00 H new ATOM 0 HG SER A 2 0.814 -9.562 7.486 1.00 0.00 H new ATOM 19 N SER A 3 -2.733 -10.046 10.817 1.00 0.00 N ATOM 20 CA SER A 3 -3.635 -9.523 11.829 1.00 0.00 C ATOM 21 C SER A 3 -4.932 -9.043 11.176 1.00 0.00 C ATOM 22 O SER A 3 -5.012 -8.933 9.953 1.00 0.00 O ATOM 23 CB SER A 3 -2.982 -8.384 12.613 1.00 0.00 C ATOM 24 OG SER A 3 -3.877 -7.805 13.559 1.00 0.00 O ATOM 0 H SER A 3 -3.075 -9.967 9.859 1.00 0.00 H new ATOM 0 HA SER A 3 -3.864 -10.325 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.100 -8.760 13.131 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.641 -7.616 11.919 1.00 0.00 H new ATOM 0 HG SER A 3 -3.422 -7.083 14.040 1.00 0.00 H new ATOM 30 N GLY A 4 -5.916 -8.770 12.020 1.00 0.00 N ATOM 31 CA GLY A 4 -7.206 -8.303 11.540 1.00 0.00 C ATOM 32 C GLY A 4 -7.221 -6.780 11.400 1.00 0.00 C ATOM 33 O GLY A 4 -6.184 -6.131 11.529 1.00 0.00 O ATOM 0 H GLY A 4 -5.846 -8.863 13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.427 -8.762 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.990 -8.616 12.230 1.00 0.00 H new ATOM 37 N SER A 5 -8.408 -6.253 11.137 1.00 0.00 N ATOM 38 CA SER A 5 -8.572 -4.819 10.978 1.00 0.00 C ATOM 39 C SER A 5 -9.808 -4.344 11.746 1.00 0.00 C ATOM 40 O SER A 5 -10.903 -4.870 11.551 1.00 0.00 O ATOM 41 CB SER A 5 -8.686 -4.438 9.501 1.00 0.00 C ATOM 42 OG SER A 5 -7.409 -4.302 8.884 1.00 0.00 O ATOM 0 H SER A 5 -9.266 -6.795 11.030 1.00 0.00 H new ATOM 0 HA SER A 5 -7.689 -4.327 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.264 -5.198 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.234 -3.500 9.410 1.00 0.00 H new ATOM 0 HG SER A 5 -7.411 -3.517 8.298 1.00 0.00 H new ATOM 48 N SER A 6 -9.590 -3.356 12.601 1.00 0.00 N ATOM 49 CA SER A 6 -10.673 -2.806 13.399 1.00 0.00 C ATOM 50 C SER A 6 -11.203 -1.526 12.749 1.00 0.00 C ATOM 51 O SER A 6 -10.815 -0.424 13.134 1.00 0.00 O ATOM 52 CB SER A 6 -10.214 -2.523 14.831 1.00 0.00 C ATOM 53 OG SER A 6 -9.810 -3.711 15.506 1.00 0.00 O ATOM 0 H SER A 6 -8.680 -2.922 12.759 1.00 0.00 H new ATOM 0 HA SER A 6 -11.474 -3.543 13.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.384 -1.816 14.813 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.025 -2.049 15.385 1.00 0.00 H new ATOM 0 HG SER A 6 -9.522 -3.488 16.416 1.00 0.00 H new ATOM 59 N GLY A 7 -12.080 -1.714 11.775 1.00 0.00 N ATOM 60 CA GLY A 7 -12.667 -0.589 11.068 1.00 0.00 C ATOM 61 C GLY A 7 -12.197 -0.549 9.613 1.00 0.00 C ATOM 62 O GLY A 7 -12.318 -1.537 8.890 1.00 0.00 O ATOM 0 H GLY A 7 -12.399 -2.630 11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.754 -0.662 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.395 0.341 11.567 1.00 0.00 H new ATOM 66 N SER A 8 -11.669 0.603 9.226 1.00 0.00 N ATOM 67 CA SER A 8 -11.179 0.784 7.870 1.00 0.00 C ATOM 68 C SER A 8 -10.118 -0.271 7.551 1.00 0.00 C ATOM 69 O SER A 8 -9.412 -0.735 8.445 1.00 0.00 O ATOM 70 CB SER A 8 -10.606 2.189 7.674 1.00 0.00 C ATOM 71 OG SER A 8 -11.529 3.202 8.066 1.00 0.00 O ATOM 0 H SER A 8 -11.570 1.420 9.828 1.00 0.00 H new ATOM 0 HA SER A 8 -12.018 0.664 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.689 2.290 8.254 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.338 2.328 6.627 1.00 0.00 H new ATOM 0 HG SER A 8 -11.125 4.084 7.927 1.00 0.00 H new ATOM 77 N THR A 9 -10.039 -0.618 6.275 1.00 0.00 N ATOM 78 CA THR A 9 -9.076 -1.609 5.827 1.00 0.00 C ATOM 79 C THR A 9 -7.650 -1.141 6.127 1.00 0.00 C ATOM 80 O THR A 9 -6.905 -1.821 6.831 1.00 0.00 O ATOM 81 CB THR A 9 -9.328 -1.877 4.342 1.00 0.00 C ATOM 82 OG1 THR A 9 -10.668 -2.360 4.299 1.00 0.00 O ATOM 83 CG2 THR A 9 -8.494 -3.043 3.807 1.00 0.00 C ATOM 0 H THR A 9 -10.627 -0.230 5.537 1.00 0.00 H new ATOM 0 HA THR A 9 -9.196 -2.549 6.366 1.00 0.00 H new ATOM 0 HB THR A 9 -9.104 -0.978 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.915 -2.557 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.711 -3.190 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.434 -2.820 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.741 -3.950 4.358 1.00 0.00 H new ATOM 91 N MET A 10 -7.314 0.016 5.578 1.00 0.00 N ATOM 92 CA MET A 10 -5.991 0.583 5.778 1.00 0.00 C ATOM 93 C MET A 10 -6.040 2.112 5.753 1.00 0.00 C ATOM 94 O MET A 10 -6.505 2.706 4.781 1.00 0.00 O ATOM 95 CB MET A 10 -5.051 0.084 4.679 1.00 0.00 C ATOM 96 CG MET A 10 -3.611 -0.008 5.190 1.00 0.00 C ATOM 97 SD MET A 10 -3.441 -1.404 6.289 1.00 0.00 S ATOM 98 CE MET A 10 -1.969 -0.923 7.176 1.00 0.00 C ATOM 0 H MET A 10 -7.935 0.577 4.995 1.00 0.00 H new ATOM 0 HA MET A 10 -5.624 0.266 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.380 -0.895 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.095 0.758 3.824 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.924 -0.110 4.350 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.342 0.911 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.993 -1.348 8.179 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.089 -1.290 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.924 0.164 7.244 1.00 0.00 H new ATOM 108 N SER A 11 -5.554 2.706 6.833 1.00 0.00 N ATOM 109 CA SER A 11 -5.537 4.154 6.947 1.00 0.00 C ATOM 110 C SER A 11 -4.535 4.583 8.022 1.00 0.00 C ATOM 111 O SER A 11 -4.152 3.781 8.873 1.00 0.00 O ATOM 112 CB SER A 11 -6.929 4.698 7.272 1.00 0.00 C ATOM 113 OG SER A 11 -7.430 4.183 8.503 1.00 0.00 O ATOM 0 H SER A 11 -5.169 2.210 7.637 1.00 0.00 H new ATOM 0 HA SER A 11 -5.230 4.568 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.890 5.786 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.616 4.441 6.465 1.00 0.00 H new ATOM 0 HG SER A 11 -8.320 4.556 8.675 1.00 0.00 H new ATOM 119 N GLY A 12 -4.141 5.845 7.948 1.00 0.00 N ATOM 120 CA GLY A 12 -3.191 6.389 8.904 1.00 0.00 C ATOM 121 C GLY A 12 -2.211 7.344 8.220 1.00 0.00 C ATOM 122 O GLY A 12 -2.134 7.387 6.993 1.00 0.00 O ATOM 0 H GLY A 12 -4.462 6.507 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.726 6.916 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.641 5.576 9.378 1.00 0.00 H new ATOM 126 N TYR A 13 -1.486 8.087 9.044 1.00 0.00 N ATOM 127 CA TYR A 13 -0.513 9.038 8.534 1.00 0.00 C ATOM 128 C TYR A 13 0.743 8.323 8.034 1.00 0.00 C ATOM 129 O TYR A 13 1.303 7.481 8.734 1.00 0.00 O ATOM 130 CB TYR A 13 -0.139 9.934 9.717 1.00 0.00 C ATOM 131 CG TYR A 13 -1.160 11.034 10.012 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.492 11.948 9.032 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.749 11.113 11.257 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.454 12.984 9.310 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.711 12.149 11.535 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.015 13.033 10.547 1.00 0.00 C ATOM 137 OH TYR A 13 -3.923 14.012 10.809 1.00 0.00 O ATOM 0 H TYR A 13 -1.553 8.049 10.061 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.928 9.601 7.698 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.021 9.314 10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.829 10.395 9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.031 11.886 8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.489 10.398 12.024 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.723 13.705 8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.180 12.222 12.505 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.242 13.924 11.732 1.00 0.00 H new ATOM 147 N LEU A 14 1.150 8.685 6.826 1.00 0.00 N ATOM 148 CA LEU A 14 2.330 8.088 6.223 1.00 0.00 C ATOM 149 C LEU A 14 3.222 9.194 5.656 1.00 0.00 C ATOM 150 O LEU A 14 2.733 10.255 5.271 1.00 0.00 O ATOM 151 CB LEU A 14 1.929 7.032 5.192 1.00 0.00 C ATOM 152 CG LEU A 14 1.165 5.822 5.733 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.398 5.113 4.615 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.103 4.870 6.478 1.00 0.00 C ATOM 0 H LEU A 14 0.684 9.384 6.248 1.00 0.00 H new ATOM 0 HA LEU A 14 2.916 7.559 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.316 7.512 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.832 6.675 4.697 1.00 0.00 H new ATOM 0 HG LEU A 14 0.428 6.177 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.136 4.257 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.316 5.805 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.099 4.771 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.535 4.018 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.879 4.518 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.564 5.395 7.315 1.00 0.00 H new ATOM 166 N TYR A 15 4.515 8.908 5.622 1.00 0.00 N ATOM 167 CA TYR A 15 5.480 9.866 5.108 1.00 0.00 C ATOM 168 C TYR A 15 5.835 9.559 3.652 1.00 0.00 C ATOM 169 O TYR A 15 6.419 8.517 3.358 1.00 0.00 O ATOM 170 CB TYR A 15 6.734 9.705 5.971 1.00 0.00 C ATOM 171 CG TYR A 15 6.561 10.181 7.414 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.835 11.324 7.682 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.132 9.468 8.449 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.673 11.772 9.041 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.970 9.916 9.808 1.00 0.00 C ATOM 176 CZ TYR A 15 6.248 11.046 10.037 1.00 0.00 C ATOM 177 OH TYR A 15 6.095 11.469 11.320 1.00 0.00 O ATOM 0 H TYR A 15 4.917 8.027 5.942 1.00 0.00 H new ATOM 0 HA TYR A 15 5.074 10.877 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.025 8.655 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.552 10.260 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.388 11.882 6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.700 8.574 8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.108 12.665 9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.412 9.367 10.627 1.00 0.00 H new ATOM 0 HH TYR A 15 6.558 10.853 11.925 1.00 0.00 H new ATOM 187 N ARG A 16 5.466 10.485 2.779 1.00 0.00 N ATOM 188 CA ARG A 16 5.738 10.326 1.360 1.00 0.00 C ATOM 189 C ARG A 16 6.974 11.137 0.963 1.00 0.00 C ATOM 190 O ARG A 16 6.948 12.366 0.988 1.00 0.00 O ATOM 191 CB ARG A 16 4.545 10.781 0.517 1.00 0.00 C ATOM 192 CG ARG A 16 4.842 10.632 -0.977 1.00 0.00 C ATOM 193 CD ARG A 16 3.604 10.957 -1.816 1.00 0.00 C ATOM 194 NE ARG A 16 3.659 12.363 -2.275 1.00 0.00 N ATOM 195 CZ ARG A 16 2.597 13.049 -2.720 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.393 12.464 -2.769 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.740 14.321 -3.116 1.00 0.00 N ATOM 0 H ARG A 16 4.981 11.348 3.027 1.00 0.00 H new ATOM 0 HA ARG A 16 5.918 9.267 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.665 10.192 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.311 11.821 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.660 11.296 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.171 9.614 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.550 10.287 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.702 10.793 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 16 4.561 12.839 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.284 11.496 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.585 12.987 -3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.657 14.767 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.932 14.844 -3.455 1.00 0.00 H new ATOM 211 N SER A 17 8.025 10.415 0.605 1.00 0.00 N ATOM 212 CA SER A 17 9.268 11.051 0.203 1.00 0.00 C ATOM 213 C SER A 17 9.460 10.916 -1.309 1.00 0.00 C ATOM 214 O SER A 17 8.755 10.147 -1.961 1.00 0.00 O ATOM 215 CB SER A 17 10.462 10.448 0.946 1.00 0.00 C ATOM 216 OG SER A 17 11.677 10.602 0.218 1.00 0.00 O ATOM 0 H SER A 17 8.042 9.395 0.585 1.00 0.00 H new ATOM 0 HA SER A 17 9.210 12.108 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.561 10.925 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.279 9.389 1.126 1.00 0.00 H new ATOM 0 HG SER A 17 12.130 9.736 0.151 1.00 0.00 H new ATOM 222 N LYS A 18 10.417 11.675 -1.822 1.00 0.00 N ATOM 223 CA LYS A 18 10.711 11.649 -3.245 1.00 0.00 C ATOM 224 C LYS A 18 12.076 10.995 -3.468 1.00 0.00 C ATOM 225 O LYS A 18 12.780 11.330 -4.419 1.00 0.00 O ATOM 226 CB LYS A 18 10.597 13.054 -3.841 1.00 0.00 C ATOM 227 CG LYS A 18 9.198 13.296 -4.411 1.00 0.00 C ATOM 228 CD LYS A 18 9.247 13.459 -5.932 1.00 0.00 C ATOM 229 CE LYS A 18 9.131 14.932 -6.329 1.00 0.00 C ATOM 230 NZ LYS A 18 7.743 15.253 -6.730 1.00 0.00 N ATOM 0 H LYS A 18 10.999 12.312 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 18 9.977 11.042 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.814 13.797 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.341 13.181 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.546 12.462 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.767 14.189 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.181 13.048 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.437 12.891 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.430 15.565 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.813 15.148 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.682 16.256 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.471 14.662 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.100 15.066 -5.934 1.00 0.00 H new ATOM 244 N GLY A 19 12.408 10.074 -2.575 1.00 0.00 N ATOM 245 CA GLY A 19 13.676 9.370 -2.663 1.00 0.00 C ATOM 246 C GLY A 19 14.100 8.832 -1.295 1.00 0.00 C ATOM 247 O GLY A 19 13.276 8.308 -0.547 1.00 0.00 O ATOM 0 H GLY A 19 11.821 9.799 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.590 8.546 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.443 10.042 -3.047 1.00 0.00 H new ATOM 251 N SER A 20 15.385 8.981 -1.008 1.00 0.00 N ATOM 252 CA SER A 20 15.929 8.517 0.257 1.00 0.00 C ATOM 253 C SER A 20 16.207 9.708 1.176 1.00 0.00 C ATOM 254 O SER A 20 15.497 9.917 2.158 1.00 0.00 O ATOM 255 CB SER A 20 17.206 7.702 0.042 1.00 0.00 C ATOM 256 OG SER A 20 17.028 6.676 -0.930 1.00 0.00 O ATOM 0 H SER A 20 16.066 9.417 -1.630 1.00 0.00 H new ATOM 0 HA SER A 20 15.191 7.868 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.010 8.366 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.515 7.256 0.987 1.00 0.00 H new ATOM 0 HG SER A 20 17.866 6.180 -1.039 1.00 0.00 H new ATOM 262 N LYS A 21 17.241 10.457 0.823 1.00 0.00 N ATOM 263 CA LYS A 21 17.622 11.622 1.604 1.00 0.00 C ATOM 264 C LYS A 21 16.658 12.771 1.302 1.00 0.00 C ATOM 265 O LYS A 21 16.823 13.876 1.815 1.00 0.00 O ATOM 266 CB LYS A 21 19.091 11.972 1.362 1.00 0.00 C ATOM 267 CG LYS A 21 19.904 10.722 1.018 1.00 0.00 C ATOM 268 CD LYS A 21 20.108 10.601 -0.494 1.00 0.00 C ATOM 269 CE LYS A 21 20.257 9.136 -0.911 1.00 0.00 C ATOM 270 NZ LYS A 21 19.418 8.847 -2.095 1.00 0.00 N ATOM 0 H LYS A 21 17.827 10.280 0.007 1.00 0.00 H new ATOM 0 HA LYS A 21 17.541 11.409 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.167 12.694 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.506 12.447 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.872 10.764 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.391 9.836 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.261 11.047 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.996 11.160 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.301 8.920 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.968 8.485 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.327 7.818 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.475 9.265 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.862 9.255 -2.943 1.00 0.00 H new ATOM 284 N LYS A 22 15.671 12.469 0.471 1.00 0.00 N ATOM 285 CA LYS A 22 14.680 13.463 0.094 1.00 0.00 C ATOM 286 C LYS A 22 13.791 13.773 1.300 1.00 0.00 C ATOM 287 O LYS A 22 13.661 12.953 2.207 1.00 0.00 O ATOM 288 CB LYS A 22 13.903 13.003 -1.141 1.00 0.00 C ATOM 289 CG LYS A 22 14.697 13.274 -2.421 1.00 0.00 C ATOM 290 CD LYS A 22 14.070 14.414 -3.225 1.00 0.00 C ATOM 291 CE LYS A 22 14.730 14.544 -4.599 1.00 0.00 C ATOM 292 NZ LYS A 22 16.044 15.215 -4.482 1.00 0.00 N ATOM 0 H LYS A 22 15.536 11.551 0.048 1.00 0.00 H new ATOM 0 HA LYS A 22 15.166 14.396 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.686 11.938 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.945 13.521 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.727 13.527 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.731 12.371 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.002 14.234 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.175 15.351 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.858 13.556 -5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.083 15.112 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.478 15.295 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.914 16.165 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.665 14.657 -3.861 1.00 0.00 H new ATOM 306 N PRO A 23 13.186 14.990 1.270 1.00 0.00 N ATOM 307 CA PRO A 23 12.312 15.419 2.349 1.00 0.00 C ATOM 308 C PRO A 23 10.960 14.706 2.276 1.00 0.00 C ATOM 309 O PRO A 23 10.294 14.735 1.243 1.00 0.00 O ATOM 310 CB PRO A 23 12.199 16.926 2.189 1.00 0.00 C ATOM 311 CG PRO A 23 12.629 17.227 0.762 1.00 0.00 C ATOM 312 CD PRO A 23 13.316 15.988 0.211 1.00 0.00 C ATOM 0 HA PRO A 23 12.704 15.165 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.178 17.262 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.836 17.444 2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.766 17.489 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.306 18.081 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.844 15.650 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.363 16.186 -0.021 1.00 0.00 H new ATOM 320 N TRP A 24 10.595 14.083 3.387 1.00 0.00 N ATOM 321 CA TRP A 24 9.335 13.364 3.462 1.00 0.00 C ATOM 322 C TRP A 24 8.202 14.393 3.454 1.00 0.00 C ATOM 323 O TRP A 24 8.440 15.585 3.646 1.00 0.00 O ATOM 324 CB TRP A 24 9.299 12.446 4.685 1.00 0.00 C ATOM 325 CG TRP A 24 10.443 11.430 4.734 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.648 11.572 5.302 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.439 10.103 4.168 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.418 10.438 5.144 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.660 9.517 4.432 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.437 9.421 3.455 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.993 8.220 4.020 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.785 8.127 3.051 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.010 7.522 3.309 1.00 0.00 C ATOM 0 H TRP A 24 11.150 14.061 4.243 1.00 0.00 H new ATOM 0 HA TRP A 24 9.215 12.707 2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.331 13.058 5.587 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.350 11.910 4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 24 11.976 12.462 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.369 10.301 5.487 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.475 9.861 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.956 7.783 4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.050 7.558 2.500 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.202 6.517 2.962 1.00 0.00 H new ATOM 344 N LYS A 25 6.995 13.895 3.231 1.00 0.00 N ATOM 345 CA LYS A 25 5.825 14.757 3.195 1.00 0.00 C ATOM 346 C LYS A 25 4.688 14.098 3.978 1.00 0.00 C ATOM 347 O LYS A 25 4.101 13.118 3.521 1.00 0.00 O ATOM 348 CB LYS A 25 5.458 15.102 1.751 1.00 0.00 C ATOM 349 CG LYS A 25 6.473 16.073 1.144 1.00 0.00 C ATOM 350 CD LYS A 25 6.709 15.764 -0.336 1.00 0.00 C ATOM 351 CE LYS A 25 5.542 16.259 -1.192 1.00 0.00 C ATOM 352 NZ LYS A 25 5.603 17.729 -1.353 1.00 0.00 N ATOM 0 H LYS A 25 6.801 12.906 3.073 1.00 0.00 H new ATOM 0 HA LYS A 25 6.038 15.709 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.419 14.191 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.463 15.545 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.113 17.096 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.415 16.007 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.634 16.237 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.834 14.690 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.572 15.779 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.597 15.977 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.935 18.025 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.351 18.187 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.567 18.009 -1.625 1.00 0.00 H new ATOM 366 N HIS A 26 4.411 14.662 5.145 1.00 0.00 N ATOM 367 CA HIS A 26 3.354 14.141 5.995 1.00 0.00 C ATOM 368 C HIS A 26 2.000 14.338 5.311 1.00 0.00 C ATOM 369 O HIS A 26 1.527 15.465 5.177 1.00 0.00 O ATOM 370 CB HIS A 26 3.414 14.776 7.386 1.00 0.00 C ATOM 371 CG HIS A 26 2.157 14.587 8.202 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.512 15.634 8.838 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.434 13.464 8.478 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.450 15.151 9.466 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.404 13.806 9.242 1.00 0.00 N ATOM 0 H HIS A 26 4.900 15.474 5.521 1.00 0.00 H new ATOM 0 HA HIS A 26 3.495 13.070 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.257 14.352 7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.608 15.843 7.279 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.661 12.466 8.133 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.255 15.722 10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.305 13.168 9.602 1.00 0.00 H new ATOM 383 N LEU A 27 1.415 13.224 4.896 1.00 0.00 N ATOM 384 CA LEU A 27 0.125 13.260 4.229 1.00 0.00 C ATOM 385 C LEU A 27 -0.756 12.133 4.771 1.00 0.00 C ATOM 386 O LEU A 27 -0.272 11.243 5.469 1.00 0.00 O ATOM 387 CB LEU A 27 0.306 13.223 2.710 1.00 0.00 C ATOM 388 CG LEU A 27 0.767 14.528 2.058 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.847 14.264 1.008 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.420 15.300 1.478 1.00 0.00 C ATOM 0 H LEU A 27 1.811 12.291 5.009 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.388 14.197 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.029 12.444 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.641 12.929 2.258 1.00 0.00 H new ATOM 0 HG LEU A 27 1.214 15.156 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.157 15.208 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.706 13.787 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.449 13.608 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.065 16.223 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.918 14.690 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.124 15.538 2.275 1.00 0.00 H new ATOM 402 N TRP A 28 -2.034 12.207 4.430 1.00 0.00 N ATOM 403 CA TRP A 28 -2.987 11.204 4.873 1.00 0.00 C ATOM 404 C TRP A 28 -3.360 10.340 3.667 1.00 0.00 C ATOM 405 O TRP A 28 -3.535 10.852 2.562 1.00 0.00 O ATOM 406 CB TRP A 28 -4.201 11.857 5.538 1.00 0.00 C ATOM 407 CG TRP A 28 -5.269 10.862 5.997 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.419 10.546 5.387 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.239 10.062 7.198 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.129 9.604 6.102 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.389 9.300 7.239 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.272 9.984 8.216 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.680 8.406 8.276 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.577 9.086 9.245 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.731 8.312 9.301 1.00 0.00 C ATOM 0 H TRP A 28 -2.432 12.947 3.851 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.545 10.564 5.637 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.864 12.435 6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.651 12.561 4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.749 10.975 4.452 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.031 9.204 5.844 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.365 10.571 8.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.587 7.820 8.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.866 8.987 10.052 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.894 7.641 10.132 1.00 0.00 H new ATOM 426 N PHE A 29 -3.470 9.044 3.919 1.00 0.00 N ATOM 427 CA PHE A 29 -3.819 8.104 2.867 1.00 0.00 C ATOM 428 C PHE A 29 -4.855 7.091 3.359 1.00 0.00 C ATOM 429 O PHE A 29 -4.945 6.820 4.555 1.00 0.00 O ATOM 430 CB PHE A 29 -2.536 7.360 2.489 1.00 0.00 C ATOM 431 CG PHE A 29 -1.433 8.265 1.937 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.546 8.852 2.785 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.338 8.481 0.597 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.478 9.691 2.272 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.314 9.320 0.084 1.00 0.00 C ATOM 436 CZ PHE A 29 0.573 9.908 0.933 1.00 0.00 C ATOM 0 H PHE A 29 -3.324 8.623 4.836 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.246 8.637 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.158 6.838 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.774 6.600 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.621 8.680 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.042 8.014 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.182 10.157 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.239 9.492 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.352 10.547 0.543 1.00 0.00 H new ATOM 446 N VAL A 30 -5.613 6.560 2.410 1.00 0.00 N ATOM 447 CA VAL A 30 -6.639 5.584 2.731 1.00 0.00 C ATOM 448 C VAL A 30 -6.819 4.631 1.548 1.00 0.00 C ATOM 449 O VAL A 30 -6.770 5.053 0.393 1.00 0.00 O ATOM 450 CB VAL A 30 -7.934 6.297 3.126 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.073 5.294 3.324 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.730 7.150 4.380 1.00 0.00 C ATOM 0 H VAL A 30 -5.536 6.788 1.419 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.339 4.983 3.590 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.212 6.963 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.982 5.826 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.243 4.749 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.806 4.591 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.666 7.646 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.416 6.513 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.963 7.900 4.189 1.00 0.00 H new ATOM 462 N ILE A 31 -7.022 3.363 1.875 1.00 0.00 N ATOM 463 CA ILE A 31 -7.209 2.347 0.854 1.00 0.00 C ATOM 464 C ILE A 31 -8.690 1.971 0.779 1.00 0.00 C ATOM 465 O ILE A 31 -9.169 1.161 1.572 1.00 0.00 O ATOM 466 CB ILE A 31 -6.284 1.155 1.109 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.819 1.543 0.899 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.687 -0.046 0.250 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.893 0.353 1.159 1.00 0.00 C ATOM 0 H ILE A 31 -7.061 3.016 2.833 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.929 2.735 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.392 0.856 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.677 1.903 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.558 2.364 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.014 -0.879 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.709 -0.339 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.626 0.224 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.858 0.656 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.020 0.011 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.141 -0.458 0.474 1.00 0.00 H new ATOM 481 N LYS A 32 -9.374 2.577 -0.180 1.00 0.00 N ATOM 482 CA LYS A 32 -10.791 2.316 -0.368 1.00 0.00 C ATOM 483 C LYS A 32 -11.030 1.835 -1.801 1.00 0.00 C ATOM 484 O LYS A 32 -10.478 2.393 -2.747 1.00 0.00 O ATOM 485 CB LYS A 32 -11.617 3.545 0.014 1.00 0.00 C ATOM 486 CG LYS A 32 -13.032 3.456 -0.563 1.00 0.00 C ATOM 487 CD LYS A 32 -13.996 4.360 0.207 1.00 0.00 C ATOM 488 CE LYS A 32 -14.498 3.671 1.477 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.762 2.950 1.211 1.00 0.00 N ATOM 0 H LYS A 32 -8.973 3.248 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.124 1.518 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.668 3.630 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.126 4.446 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.019 3.744 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.382 2.425 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.495 5.292 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.842 4.620 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.744 2.973 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.653 4.411 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.089 2.488 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.484 3.624 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.603 2.230 0.477 1.00 0.00 H new ATOM 503 N ASN A 33 -11.855 0.804 -1.915 1.00 0.00 N ATOM 504 CA ASN A 33 -12.174 0.242 -3.216 1.00 0.00 C ATOM 505 C ASN A 33 -10.879 -0.147 -3.931 1.00 0.00 C ATOM 506 O ASN A 33 -10.787 -0.050 -5.154 1.00 0.00 O ATOM 507 CB ASN A 33 -12.909 1.259 -4.091 1.00 0.00 C ATOM 508 CG ASN A 33 -13.707 0.560 -5.193 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.110 -0.585 -5.073 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.911 1.311 -6.272 1.00 0.00 N ATOM 0 H ASN A 33 -12.312 0.344 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.813 -0.627 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.580 1.856 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.190 1.946 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.433 0.935 -7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.546 2.263 -6.307 1.00 0.00 H new ATOM 517 N LYS A 34 -9.909 -0.579 -3.138 1.00 0.00 N ATOM 518 CA LYS A 34 -8.623 -0.983 -3.679 1.00 0.00 C ATOM 519 C LYS A 34 -7.952 0.222 -4.341 1.00 0.00 C ATOM 520 O LYS A 34 -7.075 0.061 -5.189 1.00 0.00 O ATOM 521 CB LYS A 34 -8.788 -2.184 -4.613 1.00 0.00 C ATOM 522 CG LYS A 34 -8.149 -3.438 -4.011 1.00 0.00 C ATOM 523 CD LYS A 34 -8.933 -4.693 -4.401 1.00 0.00 C ATOM 524 CE LYS A 34 -8.023 -5.923 -4.420 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.618 -7.020 -3.624 1.00 0.00 N ATOM 0 H LYS A 34 -9.989 -0.658 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.962 -1.318 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.847 -2.364 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.330 -1.965 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.119 -3.527 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.116 -3.348 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.749 -4.850 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.384 -4.554 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.869 -6.253 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.043 -5.664 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.988 -7.847 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.742 -6.707 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.542 -7.278 -4.025 1.00 0.00 H new ATOM 539 N VAL A 35 -8.390 1.403 -3.929 1.00 0.00 N ATOM 540 CA VAL A 35 -7.842 2.635 -4.471 1.00 0.00 C ATOM 541 C VAL A 35 -7.119 3.399 -3.361 1.00 0.00 C ATOM 542 O VAL A 35 -7.664 3.587 -2.275 1.00 0.00 O ATOM 543 CB VAL A 35 -8.952 3.453 -5.135 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.400 4.758 -5.713 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.667 2.635 -6.212 1.00 0.00 C ATOM 0 H VAL A 35 -9.118 1.533 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.108 2.418 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.684 3.709 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.209 5.320 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.959 5.352 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.638 4.532 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.451 3.240 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.950 2.334 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.110 1.747 -5.760 1.00 0.00 H new ATOM 555 N LEU A 36 -5.901 3.818 -3.671 1.00 0.00 N ATOM 556 CA LEU A 36 -5.097 4.558 -2.713 1.00 0.00 C ATOM 557 C LEU A 36 -5.406 6.051 -2.839 1.00 0.00 C ATOM 558 O LEU A 36 -4.785 6.752 -3.636 1.00 0.00 O ATOM 559 CB LEU A 36 -3.615 4.220 -2.884 1.00 0.00 C ATOM 560 CG LEU A 36 -2.649 4.947 -1.946 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.445 6.398 -2.387 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.117 4.849 -0.493 1.00 0.00 C ATOM 0 H LEU A 36 -5.451 3.659 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.352 4.265 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.489 3.147 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.328 4.442 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.679 4.453 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.754 6.892 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.033 6.417 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.402 6.920 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.413 5.374 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.104 5.302 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.169 3.801 -0.197 1.00 0.00 H new ATOM 574 N TYR A 37 -6.366 6.493 -2.040 1.00 0.00 N ATOM 575 CA TYR A 37 -6.765 7.890 -2.051 1.00 0.00 C ATOM 576 C TYR A 37 -5.781 8.748 -1.253 1.00 0.00 C ATOM 577 O TYR A 37 -5.224 8.294 -0.255 1.00 0.00 O ATOM 578 CB TYR A 37 -8.135 7.943 -1.374 1.00 0.00 C ATOM 579 CG TYR A 37 -9.285 7.454 -2.256 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.791 8.272 -3.247 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.817 6.196 -2.062 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.873 7.812 -4.078 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.899 5.735 -2.893 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.374 6.566 -3.860 1.00 0.00 C ATOM 585 OH TYR A 37 -12.396 6.131 -4.645 1.00 0.00 O ATOM 0 H TYR A 37 -6.879 5.908 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.788 8.274 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.104 7.339 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.337 8.969 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.375 9.257 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.422 5.557 -1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.278 8.442 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.324 4.752 -2.752 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.651 5.224 -4.377 1.00 0.00 H new ATOM 595 N THR A 38 -5.597 9.973 -1.723 1.00 0.00 N ATOM 596 CA THR A 38 -4.690 10.899 -1.066 1.00 0.00 C ATOM 597 C THR A 38 -5.473 11.894 -0.207 1.00 0.00 C ATOM 598 O THR A 38 -6.650 12.147 -0.461 1.00 0.00 O ATOM 599 CB THR A 38 -3.834 11.568 -2.143 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.923 10.549 -2.545 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.936 12.670 -1.577 1.00 0.00 C ATOM 0 H THR A 38 -6.061 10.346 -2.551 1.00 0.00 H new ATOM 0 HA THR A 38 -4.024 10.378 -0.378 1.00 0.00 H new ATOM 0 HB THR A 38 -4.482 11.988 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.330 10.897 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.350 13.112 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.553 13.440 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.264 12.245 -0.831 1.00 0.00 H new ATOM 609 N TYR A 39 -4.789 12.431 0.792 1.00 0.00 N ATOM 610 CA TYR A 39 -5.406 13.393 1.689 1.00 0.00 C ATOM 611 C TYR A 39 -4.349 14.264 2.370 1.00 0.00 C ATOM 612 O TYR A 39 -3.159 14.142 2.082 1.00 0.00 O ATOM 613 CB TYR A 39 -6.134 12.569 2.754 1.00 0.00 C ATOM 614 CG TYR A 39 -7.387 11.858 2.241 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.562 12.563 2.074 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.343 10.510 1.945 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.741 11.893 1.591 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.523 9.840 1.462 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.664 10.565 1.309 1.00 0.00 C ATOM 620 OH TYR A 39 -10.778 9.932 0.853 1.00 0.00 O ATOM 0 H TYR A 39 -3.813 12.218 1.000 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.077 14.054 1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.446 11.826 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.413 13.225 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.597 13.617 2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.424 9.958 2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.666 12.433 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.502 8.786 1.227 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.575 8.987 0.693 1.00 0.00 H new ATOM 630 N ALA A 40 -4.821 15.124 3.261 1.00 0.00 N ATOM 631 CA ALA A 40 -3.931 16.016 3.985 1.00 0.00 C ATOM 632 C ALA A 40 -4.142 15.829 5.489 1.00 0.00 C ATOM 633 O ALA A 40 -3.178 15.736 6.248 1.00 0.00 O ATOM 634 CB ALA A 40 -4.176 17.458 3.536 1.00 0.00 C ATOM 0 H ALA A 40 -5.808 15.222 3.498 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.890 15.780 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.508 18.127 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.984 17.544 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.211 17.732 3.742 1.00 0.00 H new ATOM 640 N ALA A 41 -5.408 15.780 5.874 1.00 0.00 N ATOM 641 CA ALA A 41 -5.758 15.606 7.274 1.00 0.00 C ATOM 642 C ALA A 41 -6.732 14.434 7.410 1.00 0.00 C ATOM 643 O ALA A 41 -7.432 14.090 6.459 1.00 0.00 O ATOM 644 CB ALA A 41 -6.337 16.912 7.822 1.00 0.00 C ATOM 0 H ALA A 41 -6.204 15.858 5.242 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.873 15.369 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.599 16.781 8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.596 17.706 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.229 17.180 7.256 1.00 0.00 H new ATOM 650 N SER A 42 -6.746 13.853 8.600 1.00 0.00 N ATOM 651 CA SER A 42 -7.623 12.726 8.873 1.00 0.00 C ATOM 652 C SER A 42 -9.085 13.157 8.741 1.00 0.00 C ATOM 653 O SER A 42 -9.904 12.424 8.190 1.00 0.00 O ATOM 654 CB SER A 42 -7.363 12.151 10.267 1.00 0.00 C ATOM 655 OG SER A 42 -7.757 10.785 10.362 1.00 0.00 O ATOM 0 H SER A 42 -6.164 14.141 9.387 1.00 0.00 H new ATOM 0 HA SER A 42 -7.414 11.945 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.303 12.240 10.504 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.906 12.737 11.008 1.00 0.00 H new ATOM 0 HG SER A 42 -7.207 10.243 9.759 1.00 0.00 H new ATOM 661 N GLU A 43 -9.367 14.345 9.256 1.00 0.00 N ATOM 662 CA GLU A 43 -10.716 14.882 9.202 1.00 0.00 C ATOM 663 C GLU A 43 -10.906 15.715 7.933 1.00 0.00 C ATOM 664 O GLU A 43 -11.677 16.673 7.924 1.00 0.00 O ATOM 665 CB GLU A 43 -11.027 15.708 10.451 1.00 0.00 C ATOM 666 CG GLU A 43 -11.025 14.830 11.704 1.00 0.00 C ATOM 667 CD GLU A 43 -12.433 14.705 12.289 1.00 0.00 C ATOM 668 OE1 GLU A 43 -13.338 14.329 11.513 1.00 0.00 O ATOM 669 OE2 GLU A 43 -12.573 14.987 13.498 1.00 0.00 O ATOM 0 H GLU A 43 -8.685 14.950 9.712 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.417 14.048 9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.289 16.503 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.999 16.188 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.641 13.840 11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.354 15.256 12.450 1.00 0.00 H new ATOM 676 N ASP A 44 -10.189 15.318 6.891 1.00 0.00 N ATOM 677 CA ASP A 44 -10.269 16.016 5.619 1.00 0.00 C ATOM 678 C ASP A 44 -11.727 16.059 5.156 1.00 0.00 C ATOM 679 O ASP A 44 -12.569 15.331 5.678 1.00 0.00 O ATOM 680 CB ASP A 44 -9.453 15.296 4.543 1.00 0.00 C ATOM 681 CG ASP A 44 -9.743 13.801 4.405 1.00 0.00 C ATOM 682 OD1 ASP A 44 -10.787 13.479 3.796 1.00 0.00 O ATOM 683 OD2 ASP A 44 -8.915 13.013 4.910 1.00 0.00 O ATOM 0 H ASP A 44 -9.551 14.523 6.902 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.872 17.021 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.640 15.777 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.394 15.427 4.764 1.00 0.00 H new ATOM 688 N VAL A 45 -11.980 16.921 4.182 1.00 0.00 N ATOM 689 CA VAL A 45 -13.321 17.068 3.643 1.00 0.00 C ATOM 690 C VAL A 45 -13.391 16.400 2.268 1.00 0.00 C ATOM 691 O VAL A 45 -14.476 16.098 1.775 1.00 0.00 O ATOM 692 CB VAL A 45 -13.712 18.547 3.609 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.607 18.905 4.797 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.471 19.441 3.569 1.00 0.00 C ATOM 0 H VAL A 45 -11.279 17.525 3.752 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.047 16.568 4.284 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.281 18.722 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.870 19.962 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.515 18.303 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.074 18.706 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.777 20.487 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.864 19.260 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.887 19.213 2.677 1.00 0.00 H new ATOM 704 N ALA A 46 -12.218 16.189 1.689 1.00 0.00 N ATOM 705 CA ALA A 46 -12.132 15.562 0.381 1.00 0.00 C ATOM 706 C ALA A 46 -10.698 15.087 0.141 1.00 0.00 C ATOM 707 O ALA A 46 -9.755 15.633 0.712 1.00 0.00 O ATOM 708 CB ALA A 46 -12.606 16.547 -0.690 1.00 0.00 C ATOM 0 H ALA A 46 -11.320 16.441 2.101 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.782 14.688 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.541 16.077 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.639 16.831 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.975 17.436 -0.672 1.00 0.00 H new ATOM 714 N ALA A 47 -10.577 14.074 -0.705 1.00 0.00 N ATOM 715 CA ALA A 47 -9.273 13.519 -1.027 1.00 0.00 C ATOM 716 C ALA A 47 -8.573 14.428 -2.038 1.00 0.00 C ATOM 717 O ALA A 47 -9.197 14.910 -2.982 1.00 0.00 O ATOM 718 CB ALA A 47 -9.441 12.090 -1.546 1.00 0.00 C ATOM 0 H ALA A 47 -11.361 13.623 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.645 13.471 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.463 11.673 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.917 11.478 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.063 12.099 -2.441 1.00 0.00 H new ATOM 724 N LEU A 48 -7.285 14.636 -1.806 1.00 0.00 N ATOM 725 CA LEU A 48 -6.492 15.479 -2.685 1.00 0.00 C ATOM 726 C LEU A 48 -6.380 14.813 -4.058 1.00 0.00 C ATOM 727 O LEU A 48 -6.456 15.485 -5.085 1.00 0.00 O ATOM 728 CB LEU A 48 -5.140 15.799 -2.044 1.00 0.00 C ATOM 729 CG LEU A 48 -5.189 16.373 -0.627 1.00 0.00 C ATOM 730 CD1 LEU A 48 -3.782 16.499 -0.038 1.00 0.00 C ATOM 731 CD2 LEU A 48 -5.942 17.704 -0.600 1.00 0.00 C ATOM 0 H LEU A 48 -6.771 14.235 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.982 16.441 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.544 14.886 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.616 16.508 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.742 15.677 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.845 16.909 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.314 15.515 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.184 17.162 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.962 18.090 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.439 18.420 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.963 17.552 -0.950 1.00 0.00 H new ATOM 743 N GLU A 49 -6.201 13.501 -4.031 1.00 0.00 N ATOM 744 CA GLU A 49 -6.078 12.737 -5.261 1.00 0.00 C ATOM 745 C GLU A 49 -6.622 11.321 -5.063 1.00 0.00 C ATOM 746 O GLU A 49 -6.855 10.893 -3.933 1.00 0.00 O ATOM 747 CB GLU A 49 -4.626 12.704 -5.743 1.00 0.00 C ATOM 748 CG GLU A 49 -4.267 13.991 -6.489 1.00 0.00 C ATOM 749 CD GLU A 49 -5.225 14.232 -7.657 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.532 13.241 -8.353 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.627 15.403 -7.828 1.00 0.00 O ATOM 0 H GLU A 49 -6.138 12.947 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.671 13.229 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.959 12.575 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.476 11.846 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.305 14.837 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.244 13.927 -6.860 1.00 0.00 H new ATOM 758 N SER A 50 -6.809 10.632 -6.179 1.00 0.00 N ATOM 759 CA SER A 50 -7.322 9.273 -6.143 1.00 0.00 C ATOM 760 C SER A 50 -6.616 8.418 -7.198 1.00 0.00 C ATOM 761 O SER A 50 -6.665 8.729 -8.387 1.00 0.00 O ATOM 762 CB SER A 50 -8.835 9.248 -6.366 1.00 0.00 C ATOM 763 OG SER A 50 -9.272 10.334 -7.178 1.00 0.00 O ATOM 0 H SER A 50 -6.614 10.990 -7.114 1.00 0.00 H new ATOM 0 HA SER A 50 -7.121 8.859 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.117 8.306 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.344 9.287 -5.403 1.00 0.00 H new ATOM 0 HG SER A 50 -10.243 10.282 -7.299 1.00 0.00 H new ATOM 769 N GLN A 51 -5.975 7.360 -6.724 1.00 0.00 N ATOM 770 CA GLN A 51 -5.260 6.459 -7.612 1.00 0.00 C ATOM 771 C GLN A 51 -5.566 5.004 -7.251 1.00 0.00 C ATOM 772 O GLN A 51 -5.392 4.595 -6.104 1.00 0.00 O ATOM 773 CB GLN A 51 -3.754 6.729 -7.570 1.00 0.00 C ATOM 774 CG GLN A 51 -3.133 6.586 -8.961 1.00 0.00 C ATOM 775 CD GLN A 51 -3.625 7.692 -9.897 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.485 8.874 -9.632 1.00 0.00 O ATOM 777 NE2 GLN A 51 -4.208 7.242 -11.005 1.00 0.00 N ATOM 0 H GLN A 51 -5.936 7.106 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.600 6.639 -8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.571 7.733 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.275 6.034 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.046 6.626 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.387 5.612 -9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.293 6.238 -11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.570 7.901 -11.694 1.00 0.00 H new ATOM 786 N PRO A 52 -6.030 4.242 -8.278 1.00 0.00 N ATOM 787 CA PRO A 52 -6.362 2.842 -8.080 1.00 0.00 C ATOM 788 C PRO A 52 -5.097 1.988 -7.972 1.00 0.00 C ATOM 789 O PRO A 52 -4.266 1.986 -8.879 1.00 0.00 O ATOM 790 CB PRO A 52 -7.229 2.471 -9.273 1.00 0.00 C ATOM 791 CG PRO A 52 -6.968 3.537 -10.325 1.00 0.00 C ATOM 792 CD PRO A 52 -6.249 4.693 -9.649 1.00 0.00 C ATOM 0 HA PRO A 52 -6.895 2.664 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.973 1.480 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.283 2.445 -8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.362 3.133 -11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.906 3.876 -10.766 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.306 4.919 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.849 5.603 -9.676 1.00 0.00 H new ATOM 800 N LEU A 53 -4.991 1.283 -6.856 1.00 0.00 N ATOM 801 CA LEU A 53 -3.841 0.427 -6.617 1.00 0.00 C ATOM 802 C LEU A 53 -3.698 -0.562 -7.776 1.00 0.00 C ATOM 803 O LEU A 53 -2.603 -1.052 -8.046 1.00 0.00 O ATOM 804 CB LEU A 53 -3.947 -0.244 -5.246 1.00 0.00 C ATOM 805 CG LEU A 53 -3.631 0.643 -4.040 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.380 0.162 -2.795 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.122 0.730 -3.803 1.00 0.00 C ATOM 0 H LEU A 53 -5.683 1.287 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.926 1.018 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.959 -0.633 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.273 -1.100 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.981 1.652 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.138 0.809 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.454 0.194 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.083 -0.861 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.925 1.366 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.725 -0.268 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.639 1.153 -4.684 1.00 0.00 H new ATOM 819 N LEU A 54 -4.820 -0.825 -8.429 1.00 0.00 N ATOM 820 CA LEU A 54 -4.834 -1.746 -9.553 1.00 0.00 C ATOM 821 C LEU A 54 -3.837 -1.269 -10.611 1.00 0.00 C ATOM 822 O LEU A 54 -4.012 -0.201 -11.197 1.00 0.00 O ATOM 823 CB LEU A 54 -6.257 -1.922 -10.084 1.00 0.00 C ATOM 824 CG LEU A 54 -6.456 -3.036 -11.115 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.501 -2.864 -12.298 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.321 -4.414 -10.465 1.00 0.00 C ATOM 0 H LEU A 54 -5.726 -0.416 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.512 -2.738 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.918 -2.114 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.576 -0.980 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.471 -2.963 -11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.663 -3.668 -13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.688 -1.904 -12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.471 -2.897 -11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.467 -5.188 -11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.327 -4.515 -10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.073 -4.523 -9.683 1.00 0.00 H new ATOM 838 N GLY A 55 -2.813 -2.082 -10.823 1.00 0.00 N ATOM 839 CA GLY A 55 -1.788 -1.756 -11.800 1.00 0.00 C ATOM 840 C GLY A 55 -0.469 -1.396 -11.112 1.00 0.00 C ATOM 841 O GLY A 55 0.606 -1.700 -11.626 1.00 0.00 O ATOM 0 H GLY A 55 -2.671 -2.966 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.634 -2.604 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.121 -0.921 -12.416 1.00 0.00 H new ATOM 845 N PHE A 56 -0.595 -0.754 -9.960 1.00 0.00 N ATOM 846 CA PHE A 56 0.573 -0.350 -9.196 1.00 0.00 C ATOM 847 C PHE A 56 1.182 -1.542 -8.455 1.00 0.00 C ATOM 848 O PHE A 56 0.683 -2.661 -8.556 1.00 0.00 O ATOM 849 CB PHE A 56 0.102 0.686 -8.174 1.00 0.00 C ATOM 850 CG PHE A 56 -0.090 2.089 -8.753 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.290 2.446 -9.286 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.937 2.979 -8.734 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.468 3.748 -9.823 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.759 4.281 -9.272 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.441 4.638 -9.805 1.00 0.00 C ATOM 0 H PHE A 56 -1.489 -0.503 -9.537 1.00 0.00 H new ATOM 0 HA PHE A 56 1.334 0.055 -9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.840 0.351 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.827 0.735 -7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.107 1.739 -9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.889 2.696 -8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.420 4.032 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.576 4.988 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.577 5.628 -10.214 1.00 0.00 H new ATOM 865 N THR A 57 2.252 -1.260 -7.725 1.00 0.00 N ATOM 866 CA THR A 57 2.934 -2.294 -6.967 1.00 0.00 C ATOM 867 C THR A 57 3.613 -1.692 -5.735 1.00 0.00 C ATOM 868 O THR A 57 3.601 -0.477 -5.547 1.00 0.00 O ATOM 869 CB THR A 57 3.906 -3.008 -7.909 1.00 0.00 C ATOM 870 OG1 THR A 57 3.185 -3.119 -9.133 1.00 0.00 O ATOM 871 CG2 THR A 57 4.164 -4.458 -7.495 1.00 0.00 C ATOM 0 H THR A 57 2.663 -0.330 -7.643 1.00 0.00 H new ATOM 0 HA THR A 57 2.230 -3.032 -6.583 1.00 0.00 H new ATOM 0 HB THR A 57 4.851 -2.465 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.742 -3.570 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.860 -4.918 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.592 -4.480 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.225 -5.011 -7.501 1.00 0.00 H new ATOM 879 N VAL A 58 4.189 -2.571 -4.928 1.00 0.00 N ATOM 880 CA VAL A 58 4.872 -2.141 -3.719 1.00 0.00 C ATOM 881 C VAL A 58 6.053 -3.075 -3.446 1.00 0.00 C ATOM 882 O VAL A 58 6.068 -4.214 -3.910 1.00 0.00 O ATOM 883 CB VAL A 58 3.882 -2.073 -2.555 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.468 -2.720 -1.298 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.456 -0.630 -2.281 1.00 0.00 C ATOM 0 H VAL A 58 4.197 -3.578 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 58 5.275 -1.136 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 58 2.993 -2.636 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.744 -2.658 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.698 -3.766 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.380 -2.197 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.752 -0.610 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.333 -0.033 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.979 -0.216 -3.170 1.00 0.00 H new ATOM 895 N THR A 59 7.014 -2.558 -2.695 1.00 0.00 N ATOM 896 CA THR A 59 8.196 -3.331 -2.355 1.00 0.00 C ATOM 897 C THR A 59 8.911 -2.711 -1.153 1.00 0.00 C ATOM 898 O THR A 59 8.819 -1.506 -0.925 1.00 0.00 O ATOM 899 CB THR A 59 9.075 -3.424 -3.603 1.00 0.00 C ATOM 900 OG1 THR A 59 9.918 -4.545 -3.352 1.00 0.00 O ATOM 901 CG2 THR A 59 10.046 -2.248 -3.725 1.00 0.00 C ATOM 0 H THR A 59 6.998 -1.613 -2.312 1.00 0.00 H new ATOM 0 HA THR A 59 7.932 -4.344 -2.050 1.00 0.00 H new ATOM 0 HB THR A 59 8.442 -3.466 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.520 -4.678 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.646 -2.364 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.484 -1.316 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.701 -2.226 -2.854 1.00 0.00 H new ATOM 909 N LEU A 60 9.609 -3.563 -0.416 1.00 0.00 N ATOM 910 CA LEU A 60 10.339 -3.114 0.757 1.00 0.00 C ATOM 911 C LEU A 60 11.631 -2.424 0.315 1.00 0.00 C ATOM 912 O LEU A 60 12.264 -2.845 -0.653 1.00 0.00 O ATOM 913 CB LEU A 60 10.563 -4.276 1.726 1.00 0.00 C ATOM 914 CG LEU A 60 10.935 -3.892 3.160 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.300 -3.203 3.206 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.839 -3.037 3.800 1.00 0.00 C ATOM 0 H LEU A 60 9.684 -4.562 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 60 9.756 -2.377 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.655 -4.878 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.353 -4.911 1.324 1.00 0.00 H new ATOM 0 HG LEU A 60 11.016 -4.806 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.541 -2.940 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.062 -3.878 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.272 -2.299 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.128 -2.778 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.702 -2.125 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.905 -3.598 3.820 1.00 0.00 H new ATOM 928 N VAL A 61 11.986 -1.377 1.045 1.00 0.00 N ATOM 929 CA VAL A 61 13.191 -0.625 0.739 1.00 0.00 C ATOM 930 C VAL A 61 14.090 -0.588 1.977 1.00 0.00 C ATOM 931 O VAL A 61 13.601 -0.506 3.102 1.00 0.00 O ATOM 932 CB VAL A 61 12.823 0.768 0.226 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.728 1.399 1.088 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.056 1.671 0.158 1.00 0.00 C ATOM 0 H VAL A 61 11.460 -1.032 1.848 1.00 0.00 H new ATOM 0 HA VAL A 61 13.753 -1.111 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 61 12.431 0.659 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.486 2.389 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.837 0.771 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.080 1.487 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.766 2.655 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.491 1.769 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.791 1.233 -0.518 1.00 0.00 H new ATOM 944 N LYS A 62 15.390 -0.649 1.726 1.00 0.00 N ATOM 945 CA LYS A 62 16.362 -0.623 2.806 1.00 0.00 C ATOM 946 C LYS A 62 16.504 0.809 3.324 1.00 0.00 C ATOM 947 O LYS A 62 16.268 1.073 4.502 1.00 0.00 O ATOM 948 CB LYS A 62 17.684 -1.247 2.352 1.00 0.00 C ATOM 949 CG LYS A 62 18.876 -0.510 2.965 1.00 0.00 C ATOM 950 CD LYS A 62 20.118 -1.404 2.991 1.00 0.00 C ATOM 951 CE LYS A 62 21.157 -0.870 3.979 1.00 0.00 C ATOM 952 NZ LYS A 62 22.493 -0.809 3.344 1.00 0.00 N ATOM 0 H LYS A 62 15.792 -0.716 0.791 1.00 0.00 H new ATOM 0 HA LYS A 62 16.019 -1.232 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.713 -2.297 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.751 -1.214 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.085 0.392 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.630 -0.193 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.834 -2.419 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.553 -1.457 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.865 0.123 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.195 -1.513 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.186 -0.444 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.776 -1.762 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.456 -0.178 2.518 1.00 0.00 H new ATOM 966 N ASP A 63 16.889 1.697 2.419 1.00 0.00 N ATOM 967 CA ASP A 63 17.065 3.095 2.770 1.00 0.00 C ATOM 968 C ASP A 63 18.221 3.226 3.764 1.00 0.00 C ATOM 969 O ASP A 63 18.693 2.228 4.307 1.00 0.00 O ATOM 970 CB ASP A 63 15.807 3.660 3.432 1.00 0.00 C ATOM 971 CG ASP A 63 15.546 5.144 3.166 1.00 0.00 C ATOM 972 OD1 ASP A 63 15.437 5.496 1.972 1.00 0.00 O ATOM 973 OD2 ASP A 63 15.461 5.893 4.163 1.00 0.00 O ATOM 0 H ASP A 63 17.084 1.475 1.443 1.00 0.00 H new ATOM 0 HA ASP A 63 17.270 3.649 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.946 3.088 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.882 3.507 4.509 1.00 0.00 H new ATOM 978 N GLU A 64 18.643 4.464 3.973 1.00 0.00 N ATOM 979 CA GLU A 64 19.735 4.737 4.892 1.00 0.00 C ATOM 980 C GLU A 64 19.187 5.111 6.271 1.00 0.00 C ATOM 981 O GLU A 64 19.891 5.000 7.273 1.00 0.00 O ATOM 982 CB GLU A 64 20.647 5.839 4.347 1.00 0.00 C ATOM 983 CG GLU A 64 19.980 7.210 4.463 1.00 0.00 C ATOM 984 CD GLU A 64 20.784 8.136 5.379 1.00 0.00 C ATOM 985 OE1 GLU A 64 20.938 7.767 6.564 1.00 0.00 O ATOM 986 OE2 GLU A 64 21.226 9.190 4.874 1.00 0.00 O ATOM 0 H GLU A 64 18.249 5.289 3.522 1.00 0.00 H new ATOM 0 HA GLU A 64 20.334 3.832 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.589 5.841 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.887 5.634 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.890 7.659 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 64 18.969 7.095 4.854 1.00 0.00 H new ATOM 993 N ASN A 65 17.936 5.547 6.277 1.00 0.00 N ATOM 994 CA ASN A 65 17.286 5.938 7.516 1.00 0.00 C ATOM 995 C ASN A 65 16.620 4.713 8.146 1.00 0.00 C ATOM 996 O ASN A 65 16.909 4.365 9.290 1.00 0.00 O ATOM 997 CB ASN A 65 16.201 6.987 7.262 1.00 0.00 C ATOM 998 CG ASN A 65 16.097 7.964 8.434 1.00 0.00 C ATOM 999 OD1 ASN A 65 16.059 7.582 9.592 1.00 0.00 O ATOM 1000 ND2 ASN A 65 16.054 9.242 8.071 1.00 0.00 N ATOM 0 H ASN A 65 17.355 5.638 5.443 1.00 0.00 H new ATOM 0 HA ASN A 65 18.045 6.357 8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.427 7.534 6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.241 6.493 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.985 9.972 8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.090 9.493 7.083 1.00 0.00 H new ATOM 1007 N SER A 66 15.742 4.092 7.372 1.00 0.00 N ATOM 1008 CA SER A 66 15.034 2.913 7.840 1.00 0.00 C ATOM 1009 C SER A 66 15.761 1.648 7.379 1.00 0.00 C ATOM 1010 O SER A 66 16.825 1.728 6.768 1.00 0.00 O ATOM 1011 CB SER A 66 13.588 2.905 7.340 1.00 0.00 C ATOM 1012 OG SER A 66 12.755 3.775 8.103 1.00 0.00 O ATOM 0 H SER A 66 15.505 4.383 6.424 1.00 0.00 H new ATOM 0 HA SER A 66 15.014 2.936 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.565 3.207 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.193 1.890 7.388 1.00 0.00 H new ATOM 0 HG SER A 66 11.870 3.830 7.686 1.00 0.00 H new ATOM 1018 N GLU A 67 15.158 0.510 7.691 1.00 0.00 N ATOM 1019 CA GLU A 67 15.735 -0.770 7.317 1.00 0.00 C ATOM 1020 C GLU A 67 14.662 -1.681 6.719 1.00 0.00 C ATOM 1021 O GLU A 67 14.889 -2.324 5.695 1.00 0.00 O ATOM 1022 CB GLU A 67 16.414 -1.436 8.516 1.00 0.00 C ATOM 1023 CG GLU A 67 17.681 -0.679 8.919 1.00 0.00 C ATOM 1024 CD GLU A 67 18.933 -1.506 8.619 1.00 0.00 C ATOM 1025 OE1 GLU A 67 18.888 -2.263 7.625 1.00 0.00 O ATOM 1026 OE2 GLU A 67 19.906 -1.363 9.390 1.00 0.00 O ATOM 0 H GLU A 67 14.276 0.448 8.199 1.00 0.00 H new ATOM 0 HA GLU A 67 16.499 -0.595 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.723 -1.469 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.665 -2.468 8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.729 0.268 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.644 -0.441 9.982 1.00 0.00 H new ATOM 1033 N SER A 68 13.515 -1.707 7.382 1.00 0.00 N ATOM 1034 CA SER A 68 12.406 -2.529 6.928 1.00 0.00 C ATOM 1035 C SER A 68 11.087 -1.971 7.466 1.00 0.00 C ATOM 1036 O SER A 68 10.152 -2.725 7.729 1.00 0.00 O ATOM 1037 CB SER A 68 12.584 -3.984 7.365 1.00 0.00 C ATOM 1038 OG SER A 68 13.897 -4.467 7.093 1.00 0.00 O ATOM 0 H SER A 68 13.330 -1.172 8.230 1.00 0.00 H new ATOM 0 HA SER A 68 12.386 -2.505 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.380 -4.069 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.854 -4.609 6.850 1.00 0.00 H new ATOM 0 HG SER A 68 13.970 -5.399 7.388 1.00 0.00 H new ATOM 1044 N LYS A 69 11.054 -0.654 7.612 1.00 0.00 N ATOM 1045 CA LYS A 69 9.865 0.013 8.113 1.00 0.00 C ATOM 1046 C LYS A 69 9.411 1.066 7.100 1.00 0.00 C ATOM 1047 O LYS A 69 8.753 2.039 7.463 1.00 0.00 O ATOM 1048 CB LYS A 69 10.117 0.576 9.514 1.00 0.00 C ATOM 1049 CG LYS A 69 10.588 -0.522 10.469 1.00 0.00 C ATOM 1050 CD LYS A 69 11.735 -0.025 11.352 1.00 0.00 C ATOM 1051 CE LYS A 69 11.894 -0.907 12.592 1.00 0.00 C ATOM 1052 NZ LYS A 69 11.914 -0.079 13.818 1.00 0.00 N ATOM 0 H LYS A 69 11.832 -0.032 7.392 1.00 0.00 H new ATOM 0 HA LYS A 69 9.047 -0.698 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.867 1.365 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.203 1.029 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.756 -0.846 11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.914 -1.391 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.664 -0.023 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.545 1.005 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.074 -1.623 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.817 -1.483 12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.023 -0.693 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.711 0.588 13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.023 0.451 13.893 1.00 0.00 H new ATOM 1066 N VAL A 70 9.781 0.835 5.849 1.00 0.00 N ATOM 1067 CA VAL A 70 9.420 1.751 4.780 1.00 0.00 C ATOM 1068 C VAL A 70 9.341 0.982 3.460 1.00 0.00 C ATOM 1069 O VAL A 70 10.061 0.004 3.263 1.00 0.00 O ATOM 1070 CB VAL A 70 10.409 2.918 4.735 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.850 2.412 4.656 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.093 3.859 3.571 1.00 0.00 C ATOM 0 H VAL A 70 10.327 0.027 5.552 1.00 0.00 H new ATOM 0 HA VAL A 70 8.436 2.183 4.963 1.00 0.00 H new ATOM 0 HB VAL A 70 10.303 3.483 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.533 3.261 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.070 1.801 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.976 1.812 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.810 4.680 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.157 3.310 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.086 4.259 3.689 1.00 0.00 H new ATOM 1082 N PHE A 71 8.461 1.453 2.589 1.00 0.00 N ATOM 1083 CA PHE A 71 8.280 0.822 1.293 1.00 0.00 C ATOM 1084 C PHE A 71 8.127 1.871 0.189 1.00 0.00 C ATOM 1085 O PHE A 71 8.038 3.065 0.470 1.00 0.00 O ATOM 1086 CB PHE A 71 6.996 -0.006 1.375 1.00 0.00 C ATOM 1087 CG PHE A 71 5.826 0.724 2.037 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.738 0.779 3.393 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.873 1.318 1.270 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.652 1.456 4.008 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.786 1.995 1.884 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.699 2.050 3.240 1.00 0.00 C ATOM 0 H PHE A 71 7.866 2.264 2.755 1.00 0.00 H new ATOM 0 HA PHE A 71 9.147 0.206 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.703 -0.303 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.201 -0.921 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.495 0.307 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.943 1.275 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.583 1.499 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.029 2.466 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.873 2.565 3.707 1.00 0.00 H new ATOM 1102 N GLN A 72 8.099 1.386 -1.044 1.00 0.00 N ATOM 1103 CA GLN A 72 7.958 2.267 -2.191 1.00 0.00 C ATOM 1104 C GLN A 72 6.767 1.835 -3.048 1.00 0.00 C ATOM 1105 O GLN A 72 6.476 0.645 -3.158 1.00 0.00 O ATOM 1106 CB GLN A 72 9.245 2.301 -3.018 1.00 0.00 C ATOM 1107 CG GLN A 72 10.369 3.006 -2.255 1.00 0.00 C ATOM 1108 CD GLN A 72 11.680 2.957 -3.041 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.281 3.970 -3.360 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.089 1.726 -3.336 1.00 0.00 N ATOM 0 H GLN A 72 8.172 0.395 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 72 7.772 3.278 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.550 1.284 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.062 2.816 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.091 4.043 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.506 2.533 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.538 0.921 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.953 1.588 -3.860 1.00 0.00 H new ATOM 1119 N LEU A 73 6.111 2.825 -3.635 1.00 0.00 N ATOM 1120 CA LEU A 73 4.958 2.562 -4.479 1.00 0.00 C ATOM 1121 C LEU A 73 5.406 2.496 -5.940 1.00 0.00 C ATOM 1122 O LEU A 73 5.559 3.526 -6.594 1.00 0.00 O ATOM 1123 CB LEU A 73 3.858 3.594 -4.220 1.00 0.00 C ATOM 1124 CG LEU A 73 2.543 3.375 -4.971 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.879 2.064 -4.544 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.607 4.573 -4.799 1.00 0.00 C ATOM 0 H LEU A 73 6.356 3.811 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 73 4.520 1.594 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.645 3.608 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.243 4.580 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 73 2.767 3.291 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.946 1.933 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.547 1.230 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.670 2.094 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.680 4.391 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.386 4.713 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.088 5.469 -5.191 1.00 0.00 H new ATOM 1138 N LEU A 74 5.604 1.273 -6.410 1.00 0.00 N ATOM 1139 CA LEU A 74 6.031 1.058 -7.782 1.00 0.00 C ATOM 1140 C LEU A 74 4.822 1.170 -8.712 1.00 0.00 C ATOM 1141 O LEU A 74 3.710 0.801 -8.338 1.00 0.00 O ATOM 1142 CB LEU A 74 6.783 -0.269 -7.908 1.00 0.00 C ATOM 1143 CG LEU A 74 8.221 -0.278 -7.387 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.418 -1.374 -6.338 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.220 -0.400 -8.539 1.00 0.00 C ATOM 0 H LEU A 74 5.476 0.421 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 74 6.739 1.829 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.220 -1.035 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.797 -0.557 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 74 8.412 0.676 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.449 -1.358 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.744 -1.200 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.202 -2.346 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.235 -0.404 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.039 -1.328 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.099 0.445 -9.217 1.00 0.00 H new ATOM 1157 N HIS A 75 5.080 1.682 -9.907 1.00 0.00 N ATOM 1158 CA HIS A 75 4.026 1.848 -10.893 1.00 0.00 C ATOM 1159 C HIS A 75 4.537 1.412 -12.268 1.00 0.00 C ATOM 1160 O HIS A 75 5.158 2.198 -12.981 1.00 0.00 O ATOM 1161 CB HIS A 75 3.495 3.283 -10.886 1.00 0.00 C ATOM 1162 CG HIS A 75 2.405 3.540 -11.898 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.076 3.234 -11.874 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.636 4.182 -13.102 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.525 3.667 -13.001 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.490 4.255 -13.764 1.00 0.00 N flip ATOM 0 H HIS A 75 6.004 1.987 -10.214 1.00 0.00 H new ATOM 0 HA HIS A 75 3.181 1.209 -10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.114 3.514 -9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.322 3.966 -11.077 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.588 2.754 -11.118 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.588 4.559 -13.444 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.517 3.570 -13.270 1.00 0.00 H new ATOM 1174 N LYS A 76 4.256 0.160 -12.598 1.00 0.00 N ATOM 1175 CA LYS A 76 4.679 -0.391 -13.875 1.00 0.00 C ATOM 1176 C LYS A 76 6.137 -0.843 -13.772 1.00 0.00 C ATOM 1177 O LYS A 76 6.782 -1.107 -14.786 1.00 0.00 O ATOM 1178 CB LYS A 76 4.425 0.613 -15.001 1.00 0.00 C ATOM 1179 CG LYS A 76 3.074 1.310 -14.821 1.00 0.00 C ATOM 1180 CD LYS A 76 2.445 1.643 -16.175 1.00 0.00 C ATOM 1181 CE LYS A 76 3.111 2.869 -16.802 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.025 2.462 -17.892 1.00 0.00 N ATOM 0 H LYS A 76 3.741 -0.489 -12.003 1.00 0.00 H new ATOM 0 HA LYS A 76 4.088 -1.272 -14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.222 1.356 -15.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.448 0.100 -15.962 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.402 0.667 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.207 2.224 -14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.543 0.789 -16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.378 1.829 -16.049 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.349 3.545 -17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.665 3.418 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.469 3.306 -18.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.762 1.835 -17.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.487 1.958 -18.626 1.00 0.00 H new ATOM 1196 N GLY A 77 6.614 -0.920 -12.538 1.00 0.00 N ATOM 1197 CA GLY A 77 7.983 -1.336 -12.290 1.00 0.00 C ATOM 1198 C GLY A 77 8.825 -0.170 -11.769 1.00 0.00 C ATOM 1199 O GLY A 77 9.822 -0.378 -11.078 1.00 0.00 O ATOM 0 H GLY A 77 6.076 -0.701 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.994 -2.150 -11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.421 -1.723 -13.210 1.00 0.00 H new ATOM 1203 N MET A 78 8.394 1.033 -12.120 1.00 0.00 N ATOM 1204 CA MET A 78 9.096 2.233 -11.697 1.00 0.00 C ATOM 1205 C MET A 78 8.582 2.718 -10.340 1.00 0.00 C ATOM 1206 O MET A 78 7.392 2.609 -10.047 1.00 0.00 O ATOM 1207 CB MET A 78 8.899 3.334 -12.741 1.00 0.00 C ATOM 1208 CG MET A 78 9.498 2.925 -14.088 1.00 0.00 C ATOM 1209 SD MET A 78 8.698 3.822 -15.408 1.00 0.00 S ATOM 1210 CE MET A 78 7.637 2.540 -16.055 1.00 0.00 C ATOM 0 H MET A 78 7.567 1.202 -12.693 1.00 0.00 H new ATOM 0 HA MET A 78 10.156 1.997 -11.600 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.836 3.542 -12.860 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.367 4.256 -12.396 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.569 3.128 -14.096 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.376 1.853 -14.239 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.673 2.969 -16.328 1.00 0.00 H new ATOM 0 HE2 MET A 78 8.099 2.096 -16.936 1.00 0.00 H new ATOM 0 HE3 MET A 78 7.490 1.772 -15.296 1.00 0.00 H new ATOM 1220 N VAL A 79 9.505 3.243 -9.547 1.00 0.00 N ATOM 1221 CA VAL A 79 9.161 3.745 -8.228 1.00 0.00 C ATOM 1222 C VAL A 79 8.440 5.088 -8.370 1.00 0.00 C ATOM 1223 O VAL A 79 8.880 5.956 -9.123 1.00 0.00 O ATOM 1224 CB VAL A 79 10.415 3.830 -7.356 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.199 4.777 -6.174 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.844 2.442 -6.876 1.00 0.00 C ATOM 0 H VAL A 79 10.491 3.331 -9.793 1.00 0.00 H new ATOM 0 HA VAL A 79 8.478 3.060 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 79 11.221 4.237 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.106 4.819 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.964 5.775 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.373 4.413 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.738 2.531 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.041 1.995 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.060 1.810 -7.737 1.00 0.00 H new ATOM 1236 N PHE A 80 7.345 5.216 -7.635 1.00 0.00 N ATOM 1237 CA PHE A 80 6.560 6.438 -7.670 1.00 0.00 C ATOM 1238 C PHE A 80 6.893 7.339 -6.479 1.00 0.00 C ATOM 1239 O PHE A 80 7.117 8.537 -6.646 1.00 0.00 O ATOM 1240 CB PHE A 80 5.088 6.026 -7.586 1.00 0.00 C ATOM 1241 CG PHE A 80 4.106 7.164 -7.872 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.333 8.013 -8.910 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.008 7.327 -7.087 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.421 9.069 -9.175 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.097 8.384 -7.352 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.322 9.232 -8.391 1.00 0.00 C ATOM 0 H PHE A 80 6.983 4.494 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 80 6.777 6.993 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.907 5.217 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.889 5.629 -6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.206 7.884 -9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.829 6.653 -6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.600 9.743 -10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.225 8.514 -6.728 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.628 10.035 -8.593 1.00 0.00 H new ATOM 1256 N TYR A 81 6.917 6.727 -5.304 1.00 0.00 N ATOM 1257 CA TYR A 81 7.220 7.459 -4.086 1.00 0.00 C ATOM 1258 C TYR A 81 7.691 6.512 -2.980 1.00 0.00 C ATOM 1259 O TYR A 81 7.668 5.294 -3.150 1.00 0.00 O ATOM 1260 CB TYR A 81 5.908 8.117 -3.652 1.00 0.00 C ATOM 1261 CG TYR A 81 5.570 9.395 -4.422 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.413 10.486 -4.353 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.421 9.458 -5.184 1.00 0.00 C ATOM 1264 CE1 TYR A 81 6.094 11.689 -5.077 1.00 0.00 C ATOM 1265 CE2 TYR A 81 4.103 10.661 -5.908 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.955 11.717 -5.819 1.00 0.00 C ATOM 1267 OH TYR A 81 4.654 12.854 -6.503 1.00 0.00 O ATOM 0 H TYR A 81 6.732 5.733 -5.170 1.00 0.00 H new ATOM 0 HA TYR A 81 8.014 8.185 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.095 7.402 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.964 8.350 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.312 10.437 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.761 8.605 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.745 12.550 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.208 10.723 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 81 3.813 12.730 -6.990 1.00 0.00 H new ATOM 1277 N VAL A 82 8.108 7.108 -1.873 1.00 0.00 N ATOM 1278 CA VAL A 82 8.584 6.333 -0.740 1.00 0.00 C ATOM 1279 C VAL A 82 7.639 6.538 0.446 1.00 0.00 C ATOM 1280 O VAL A 82 7.438 7.665 0.897 1.00 0.00 O ATOM 1281 CB VAL A 82 10.033 6.707 -0.421 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.672 5.678 0.514 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.852 6.866 -1.704 1.00 0.00 C ATOM 0 H VAL A 82 8.126 8.119 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 82 8.582 5.269 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 82 10.026 7.668 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.701 5.968 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.109 5.635 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.661 4.698 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.878 7.132 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.847 5.927 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.415 7.652 -2.319 1.00 0.00 H new ATOM 1293 N PHE A 83 7.084 5.432 0.919 1.00 0.00 N ATOM 1294 CA PHE A 83 6.166 5.476 2.044 1.00 0.00 C ATOM 1295 C PHE A 83 6.761 4.775 3.266 1.00 0.00 C ATOM 1296 O PHE A 83 7.119 3.600 3.199 1.00 0.00 O ATOM 1297 CB PHE A 83 4.897 4.737 1.614 1.00 0.00 C ATOM 1298 CG PHE A 83 4.061 5.487 0.575 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.246 6.504 0.964 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.133 5.137 -0.737 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.470 7.201 0.000 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.357 5.833 -1.701 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.542 6.850 -1.313 1.00 0.00 C ATOM 0 H PHE A 83 7.253 4.499 0.543 1.00 0.00 H new ATOM 0 HA PHE A 83 5.962 6.511 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.175 3.765 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.282 4.551 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.189 6.782 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.780 4.330 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.823 8.009 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.414 5.555 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.952 7.379 -2.047 1.00 0.00 H new ATOM 1313 N LYS A 84 6.849 5.525 4.354 1.00 0.00 N ATOM 1314 CA LYS A 84 7.395 4.990 5.590 1.00 0.00 C ATOM 1315 C LYS A 84 6.250 4.681 6.557 1.00 0.00 C ATOM 1316 O LYS A 84 5.282 5.436 6.640 1.00 0.00 O ATOM 1317 CB LYS A 84 8.447 5.940 6.166 1.00 0.00 C ATOM 1318 CG LYS A 84 8.869 5.504 7.571 1.00 0.00 C ATOM 1319 CD LYS A 84 9.428 6.685 8.367 1.00 0.00 C ATOM 1320 CE LYS A 84 10.874 6.423 8.793 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.936 5.290 9.744 1.00 0.00 N ATOM 0 H LYS A 84 6.551 6.499 4.406 1.00 0.00 H new ATOM 0 HA LYS A 84 7.916 4.051 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.318 5.963 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.047 6.953 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.013 5.079 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.622 4.719 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.382 7.591 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.811 6.859 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.484 6.204 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.291 7.317 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.264 5.631 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.990 4.870 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.597 4.572 9.386 1.00 0.00 H new ATOM 1335 N ALA A 85 6.399 3.571 7.264 1.00 0.00 N ATOM 1336 CA ALA A 85 5.389 3.153 8.222 1.00 0.00 C ATOM 1337 C ALA A 85 5.905 3.402 9.641 1.00 0.00 C ATOM 1338 O ALA A 85 7.110 3.357 9.884 1.00 0.00 O ATOM 1339 CB ALA A 85 5.033 1.685 7.980 1.00 0.00 C ATOM 0 H ALA A 85 7.204 2.948 7.193 1.00 0.00 H new ATOM 0 HA ALA A 85 4.476 3.735 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.276 1.371 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.645 1.567 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.925 1.070 8.101 1.00 0.00 H new ATOM 1345 N ASP A 86 4.966 3.658 10.540 1.00 0.00 N ATOM 1346 CA ASP A 86 5.311 3.914 11.928 1.00 0.00 C ATOM 1347 C ASP A 86 6.379 2.915 12.377 1.00 0.00 C ATOM 1348 O ASP A 86 7.538 3.283 12.565 1.00 0.00 O ATOM 1349 CB ASP A 86 4.093 3.744 12.838 1.00 0.00 C ATOM 1350 CG ASP A 86 3.598 5.029 13.504 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.648 6.076 12.823 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.180 4.936 14.678 1.00 0.00 O ATOM 0 H ASP A 86 3.968 3.694 10.335 1.00 0.00 H new ATOM 0 HA ASP A 86 5.676 4.938 12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.278 3.319 12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.338 3.021 13.616 1.00 0.00 H new ATOM 1357 N ASP A 87 5.952 1.671 12.535 1.00 0.00 N ATOM 1358 CA ASP A 87 6.858 0.617 12.958 1.00 0.00 C ATOM 1359 C ASP A 87 6.969 -0.430 11.848 1.00 0.00 C ATOM 1360 O ASP A 87 6.404 -0.258 10.769 1.00 0.00 O ATOM 1361 CB ASP A 87 6.340 -0.082 14.217 1.00 0.00 C ATOM 1362 CG ASP A 87 6.146 0.830 15.429 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.055 1.434 15.516 1.00 0.00 O ATOM 1364 OD2 ASP A 87 7.092 0.903 16.242 1.00 0.00 O ATOM 0 H ASP A 87 4.990 1.369 12.378 1.00 0.00 H new ATOM 0 HA ASP A 87 7.827 1.070 13.169 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.388 -0.559 13.984 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.037 -0.876 14.486 1.00 0.00 H new ATOM 1369 N ALA A 88 7.701 -1.492 12.150 1.00 0.00 N ATOM 1370 CA ALA A 88 7.893 -2.566 11.191 1.00 0.00 C ATOM 1371 C ALA A 88 6.536 -3.179 10.840 1.00 0.00 C ATOM 1372 O ALA A 88 6.179 -3.273 9.667 1.00 0.00 O ATOM 1373 CB ALA A 88 8.867 -3.597 11.767 1.00 0.00 C ATOM 0 H ALA A 88 8.168 -1.632 13.046 1.00 0.00 H new ATOM 0 HA ALA A 88 8.331 -2.183 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.011 -4.403 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.824 -3.118 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.460 -4.005 12.692 1.00 0.00 H new ATOM 1379 N HIS A 89 5.817 -3.581 11.878 1.00 0.00 N ATOM 1380 CA HIS A 89 4.508 -4.182 11.694 1.00 0.00 C ATOM 1381 C HIS A 89 3.705 -3.364 10.680 1.00 0.00 C ATOM 1382 O HIS A 89 3.273 -3.890 9.655 1.00 0.00 O ATOM 1383 CB HIS A 89 3.787 -4.336 13.034 1.00 0.00 C ATOM 1384 CG HIS A 89 4.138 -5.603 13.778 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.425 -6.048 14.878 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.131 -6.514 13.568 1.00 0.00 C ATOM 1387 CE1 HIS A 89 3.974 -7.177 15.303 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.032 -7.463 14.491 1.00 0.00 N ATOM 0 H HIS A 89 6.117 -3.502 12.850 1.00 0.00 H new ATOM 0 HA HIS A 89 4.620 -5.188 11.290 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.025 -3.479 13.664 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.711 -4.315 12.861 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.872 -6.471 12.784 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.642 -7.767 16.144 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.646 -8.273 14.579 1.00 0.00 H new ATOM 1396 N SER A 90 3.530 -2.091 11.001 1.00 0.00 N ATOM 1397 CA SER A 90 2.788 -1.195 10.131 1.00 0.00 C ATOM 1398 C SER A 90 3.234 -1.385 8.680 1.00 0.00 C ATOM 1399 O SER A 90 2.414 -1.661 7.806 1.00 0.00 O ATOM 1400 CB SER A 90 2.971 0.264 10.556 1.00 0.00 C ATOM 1401 OG SER A 90 2.207 0.582 11.716 1.00 0.00 O ATOM 0 H SER A 90 3.889 -1.658 11.852 1.00 0.00 H new ATOM 0 HA SER A 90 1.729 -1.439 10.214 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.026 0.455 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.676 0.920 9.737 1.00 0.00 H new ATOM 0 HG SER A 90 2.090 1.553 11.774 1.00 0.00 H new ATOM 1407 N THR A 91 4.532 -1.229 8.469 1.00 0.00 N ATOM 1408 CA THR A 91 5.097 -1.380 7.139 1.00 0.00 C ATOM 1409 C THR A 91 4.521 -2.620 6.452 1.00 0.00 C ATOM 1410 O THR A 91 3.857 -2.512 5.423 1.00 0.00 O ATOM 1411 CB THR A 91 6.621 -1.413 7.273 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.928 -0.245 8.030 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.332 -1.189 5.937 1.00 0.00 C ATOM 0 H THR A 91 5.209 -1.000 9.197 1.00 0.00 H new ATOM 0 HA THR A 91 4.831 -0.539 6.499 1.00 0.00 H new ATOM 0 HB THR A 91 6.928 -2.372 7.690 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.843 -0.443 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.411 -1.222 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.040 -1.970 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.052 -0.215 5.535 1.00 0.00 H new ATOM 1421 N GLN A 92 4.797 -3.770 7.050 1.00 0.00 N ATOM 1422 CA GLN A 92 4.314 -5.029 6.509 1.00 0.00 C ATOM 1423 C GLN A 92 2.848 -4.900 6.090 1.00 0.00 C ATOM 1424 O GLN A 92 2.507 -5.132 4.931 1.00 0.00 O ATOM 1425 CB GLN A 92 4.498 -6.165 7.517 1.00 0.00 C ATOM 1426 CG GLN A 92 5.946 -6.658 7.530 1.00 0.00 C ATOM 1427 CD GLN A 92 6.252 -7.496 6.288 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.864 -8.648 6.173 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.966 -6.857 5.366 1.00 0.00 N ATOM 0 H GLN A 92 5.349 -3.856 7.904 1.00 0.00 H new ATOM 0 HA GLN A 92 4.904 -5.272 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.218 -5.821 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.832 -6.990 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.624 -5.805 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.123 -7.252 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.259 -5.893 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.221 -7.331 4.499 1.00 0.00 H new ATOM 1438 N ARG A 93 2.020 -4.530 7.056 1.00 0.00 N ATOM 1439 CA ARG A 93 0.599 -4.367 6.802 1.00 0.00 C ATOM 1440 C ARG A 93 0.378 -3.538 5.535 1.00 0.00 C ATOM 1441 O ARG A 93 -0.163 -4.037 4.549 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.096 -3.680 7.980 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.311 -4.659 9.136 1.00 0.00 C ATOM 1444 CD ARG A 93 0.655 -4.368 10.287 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.063 -4.439 11.579 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.092 -3.649 11.911 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -1.532 -2.723 11.048 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.683 -3.784 13.106 1.00 0.00 N ATOM 0 H ARG A 93 2.306 -4.338 8.016 1.00 0.00 H new ATOM 0 HA ARG A 93 0.170 -5.360 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.505 -2.837 8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.056 -3.277 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.339 -4.587 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.166 -5.680 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.474 -5.087 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.097 -3.380 10.161 1.00 0.00 H new ATOM 0 HE ARG A 93 0.245 -5.133 12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.083 -2.620 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.316 -2.121 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.349 -4.489 13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.467 -3.182 13.358 1.00 0.00 H new ATOM 1462 N TRP A 94 0.808 -2.287 5.602 1.00 0.00 N ATOM 1463 CA TRP A 94 0.664 -1.384 4.473 1.00 0.00 C ATOM 1464 C TRP A 94 1.158 -2.111 3.221 1.00 0.00 C ATOM 1465 O TRP A 94 0.446 -2.187 2.221 1.00 0.00 O ATOM 1466 CB TRP A 94 1.397 -0.066 4.727 1.00 0.00 C ATOM 1467 CG TRP A 94 0.582 0.957 5.521 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.733 1.316 6.803 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.524 1.743 5.029 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.192 2.272 7.173 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.980 2.540 6.059 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.119 1.780 3.756 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -2.051 3.432 5.923 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.188 2.676 3.636 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.659 3.485 4.663 1.00 0.00 C ATOM 0 H TRP A 94 1.257 -1.877 6.421 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.381 -1.111 4.328 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.322 -0.274 5.265 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.677 0.372 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.484 0.909 7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.281 2.702 8.094 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.778 1.166 2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.389 4.045 6.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.681 2.743 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.491 4.152 4.490 1.00 0.00 H new ATOM 1486 N ILE A 95 2.375 -2.627 3.316 1.00 0.00 N ATOM 1487 CA ILE A 95 2.973 -3.345 2.203 1.00 0.00 C ATOM 1488 C ILE A 95 1.952 -4.331 1.631 1.00 0.00 C ATOM 1489 O ILE A 95 1.591 -4.246 0.459 1.00 0.00 O ATOM 1490 CB ILE A 95 4.287 -4.000 2.632 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.385 -2.951 2.825 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.704 -5.091 1.645 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.678 -3.596 3.327 1.00 0.00 C ATOM 0 H ILE A 95 2.963 -2.562 4.147 1.00 0.00 H new ATOM 0 HA ILE A 95 3.235 -2.655 1.401 1.00 0.00 H new ATOM 0 HB ILE A 95 4.129 -4.482 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.573 -2.438 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.051 -2.196 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.641 -5.540 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.930 -5.857 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.839 -4.654 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.441 -2.829 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.493 -4.087 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.023 -4.333 2.601 1.00 0.00 H new ATOM 1505 N ASP A 96 1.517 -5.245 2.487 1.00 0.00 N ATOM 1506 CA ASP A 96 0.545 -6.246 2.081 1.00 0.00 C ATOM 1507 C ASP A 96 -0.711 -5.549 1.557 1.00 0.00 C ATOM 1508 O ASP A 96 -1.234 -5.913 0.504 1.00 0.00 O ATOM 1509 CB ASP A 96 0.138 -7.129 3.263 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.914 -8.193 2.943 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.772 -8.828 1.876 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.836 -8.346 3.773 1.00 0.00 O ATOM 0 H ASP A 96 1.820 -5.313 3.459 1.00 0.00 H new ATOM 0 HA ASP A 96 1.001 -6.865 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.028 -7.625 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.243 -6.490 4.060 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.160 -4.559 2.314 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.345 -3.807 1.939 1.00 0.00 C ATOM 1519 C ALA A 97 -2.158 -3.237 0.532 1.00 0.00 C ATOM 1520 O ALA A 97 -3.115 -3.139 -0.235 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.610 -2.717 2.980 1.00 0.00 C ATOM 0 H ALA A 97 -0.724 -4.260 3.186 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.220 -4.456 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.499 -2.153 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.766 -3.176 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.754 -2.044 3.028 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.919 -2.874 0.235 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.593 -2.316 -1.066 1.00 0.00 C ATOM 1529 C PHE A 98 -0.419 -3.421 -2.109 1.00 0.00 C ATOM 1530 O PHE A 98 -0.654 -3.202 -3.296 1.00 0.00 O ATOM 1531 CB PHE A 98 0.730 -1.563 -0.912 1.00 0.00 C ATOM 1532 CG PHE A 98 0.568 -0.056 -0.703 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.238 0.744 -1.752 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.754 0.483 0.532 1.00 0.00 C ATOM 1535 CE1 PHE A 98 0.087 2.143 -1.558 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.604 1.882 0.726 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.274 2.682 -0.323 1.00 0.00 C ATOM 0 H PHE A 98 -0.128 -2.956 0.874 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.397 -1.661 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.277 -1.980 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.338 -1.733 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.091 0.316 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.016 -0.153 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.176 2.779 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.752 2.310 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.160 3.746 -0.176 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.009 -4.586 -1.628 1.00 0.00 N ATOM 1548 CA GLN A 99 0.200 -5.726 -2.504 1.00 0.00 C ATOM 1549 C GLN A 99 -1.139 -6.376 -2.857 1.00 0.00 C ATOM 1550 O GLN A 99 -1.465 -6.535 -4.032 1.00 0.00 O ATOM 1551 CB GLN A 99 1.150 -6.741 -1.866 1.00 0.00 C ATOM 1552 CG GLN A 99 2.586 -6.526 -2.349 1.00 0.00 C ATOM 1553 CD GLN A 99 2.764 -7.034 -3.781 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.218 -8.048 -4.180 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.558 -6.273 -4.529 1.00 0.00 N ATOM 0 H GLN A 99 0.184 -4.765 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 99 0.664 -5.372 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.110 -6.650 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.827 -7.752 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.835 -5.466 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.278 -7.045 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.984 -5.436 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.741 -6.527 -5.500 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.880 -6.733 -1.818 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.176 -7.362 -2.004 1.00 0.00 C ATOM 1566 C GLU A 100 -4.100 -6.446 -2.809 1.00 0.00 C ATOM 1567 O GLU A 100 -4.907 -6.920 -3.607 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.806 -7.729 -0.658 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.216 -9.032 -0.114 1.00 0.00 C ATOM 1570 CD GLU A 100 -3.713 -9.309 1.306 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -3.707 -8.348 2.106 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.089 -10.474 1.559 1.00 0.00 O ATOM 0 H GLU A 100 -1.607 -6.598 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.032 -8.285 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.639 -6.924 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.885 -7.834 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.491 -9.860 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.128 -8.971 -0.117 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.950 -5.151 -2.572 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.761 -4.165 -3.266 1.00 0.00 C ATOM 1581 C GLY A 101 -4.458 -4.163 -4.765 1.00 0.00 C ATOM 1582 O GLY A 101 -5.373 -4.189 -5.587 1.00 0.00 O ATOM 0 H GLY A 101 -3.279 -4.762 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.817 -4.380 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.570 -3.175 -2.851 1.00 0.00 H new ATOM 1586 N THR A 102 -3.170 -4.131 -5.076 1.00 0.00 N ATOM 1587 CA THR A 102 -2.735 -4.125 -6.463 1.00 0.00 C ATOM 1588 C THR A 102 -3.146 -5.426 -7.156 1.00 0.00 C ATOM 1589 O THR A 102 -3.570 -5.411 -8.310 1.00 0.00 O ATOM 1590 CB THR A 102 -1.226 -3.875 -6.484 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.712 -4.774 -5.505 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.854 -2.491 -5.949 1.00 0.00 C ATOM 0 H THR A 102 -2.414 -4.109 -4.392 1.00 0.00 H new ATOM 0 HA THR A 102 -3.219 -3.327 -7.026 1.00 0.00 H new ATOM 0 HB THR A 102 -0.855 -3.982 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.536 -4.286 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.228 -2.365 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.329 -1.724 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.195 -2.396 -4.918 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.004 -6.520 -6.422 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.354 -7.827 -6.952 1.00 0.00 C ATOM 1602 C VAL A 103 -4.845 -8.084 -6.720 1.00 0.00 C ATOM 1603 O VAL A 103 -5.605 -7.153 -6.458 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.459 -8.901 -6.331 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.980 -8.582 -6.561 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.758 -9.069 -4.840 1.00 0.00 C ATOM 0 H VAL A 103 -2.651 -6.528 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.181 -7.861 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.679 -9.847 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.365 -9.361 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.780 -8.536 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.740 -7.621 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.108 -9.838 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.580 -8.125 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.799 -9.363 -4.709 1.00 0.00 H new ATOM 1616 N SER A 104 -5.218 -9.351 -6.824 1.00 0.00 N ATOM 1617 CA SER A 104 -6.603 -9.742 -6.629 1.00 0.00 C ATOM 1618 C SER A 104 -6.670 -11.107 -5.943 1.00 0.00 C ATOM 1619 O SER A 104 -7.709 -11.766 -5.963 1.00 0.00 O ATOM 1620 CB SER A 104 -7.358 -9.778 -7.960 1.00 0.00 C ATOM 1621 OG SER A 104 -8.761 -9.944 -7.773 1.00 0.00 O ATOM 0 H SER A 104 -4.584 -10.120 -7.041 1.00 0.00 H new ATOM 0 HA SER A 104 -7.082 -8.999 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.172 -8.854 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.975 -10.594 -8.572 1.00 0.00 H new ATOM 0 HG SER A 104 -8.921 -10.604 -7.066 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.549 -11.493 -5.352 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.467 -12.768 -4.661 1.00 0.00 C ATOM 1629 C GLY A 105 -6.545 -12.877 -3.581 1.00 0.00 C ATOM 1630 O GLY A 105 -7.402 -12.002 -3.464 1.00 0.00 O ATOM 0 H GLY A 105 -4.689 -10.944 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.581 -13.582 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.481 -12.878 -4.208 1.00 0.00 H new ATOM 1634 N PRO A 106 -6.465 -13.987 -2.799 1.00 0.00 N ATOM 1635 CA PRO A 106 -7.423 -14.221 -1.732 1.00 0.00 C ATOM 1636 C PRO A 106 -7.142 -13.313 -0.533 1.00 0.00 C ATOM 1637 O PRO A 106 -6.174 -13.523 0.196 1.00 0.00 O ATOM 1638 CB PRO A 106 -7.291 -15.699 -1.402 1.00 0.00 C ATOM 1639 CG PRO A 106 -5.948 -16.133 -1.966 1.00 0.00 C ATOM 1640 CD PRO A 106 -5.464 -15.044 -2.909 1.00 0.00 C ATOM 0 HA PRO A 106 -8.445 -13.982 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.334 -15.864 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.105 -16.273 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.229 -16.289 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.045 -17.081 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.475 -14.684 -2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.387 -15.412 -3.932 1.00 0.00 H new ATOM 1648 N SER A 107 -8.006 -12.323 -0.365 1.00 0.00 N ATOM 1649 CA SER A 107 -7.863 -11.382 0.733 1.00 0.00 C ATOM 1650 C SER A 107 -8.638 -11.881 1.954 1.00 0.00 C ATOM 1651 O SER A 107 -8.060 -12.085 3.020 1.00 0.00 O ATOM 1652 CB SER A 107 -8.347 -9.988 0.330 1.00 0.00 C ATOM 1653 OG SER A 107 -7.860 -8.979 1.211 1.00 0.00 O ATOM 0 H SER A 107 -8.808 -12.152 -0.971 1.00 0.00 H new ATOM 0 HA SER A 107 -6.805 -11.310 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.020 -9.770 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.437 -9.970 0.325 1.00 0.00 H new ATOM 0 HG SER A 107 -8.189 -8.103 0.919 1.00 0.00 H new ATOM 1659 N SER A 108 -9.936 -12.064 1.757 1.00 0.00 N ATOM 1660 CA SER A 108 -10.796 -12.535 2.828 1.00 0.00 C ATOM 1661 C SER A 108 -10.878 -11.483 3.936 1.00 0.00 C ATOM 1662 O SER A 108 -10.119 -11.534 4.902 1.00 0.00 O ATOM 1663 CB SER A 108 -10.293 -13.864 3.395 1.00 0.00 C ATOM 1664 OG SER A 108 -10.987 -14.979 2.841 1.00 0.00 O ATOM 0 H SER A 108 -10.412 -11.894 0.871 1.00 0.00 H new ATOM 0 HA SER A 108 -11.792 -12.700 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.227 -13.964 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.413 -13.864 4.478 1.00 0.00 H new ATOM 0 HG SER A 108 -10.635 -15.808 3.227 1.00 0.00 H new ATOM 1670 N GLY A 109 -11.805 -10.553 3.757 1.00 0.00 N ATOM 1671 CA GLY A 109 -11.995 -9.490 4.729 1.00 0.00 C ATOM 1672 C GLY A 109 -12.035 -8.122 4.045 1.00 0.00 C ATOM 1673 O GLY A 109 -11.044 -7.394 4.045 1.00 0.00 O ATOM 0 H GLY A 109 -12.432 -10.514 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.923 -9.654 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.186 -9.512 5.460 1.00 0.00 H new TER 1677 GLY A 109