USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 990 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 128 THR OG1 : rot 180:sc= 0.974 USER MOD Set 1.2: A 131 GLN : amide:sc= -1.56! C(o=-0.58!,f=-14!) USER MOD Set 2.1: A 92 SER OG : rot -160:sc= 0.273 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 171:sc= 0.216 (180deg=-0.201) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 42:sc= 0.386 USER MOD Single : A 19 ASN : amide:sc= -0.0043 X(o=-0.0043,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00988) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0154 USER MOD Single : A 29 MET CE :methyl 172:sc= -0.751 (180deg=-0.928) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 42 ASN : amide:sc= -0.253 K(o=-0.25,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.283 (180deg=0.269) USER MOD Single : A 51 TYR OH : rot 95:sc= -0.0292 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0288 K(o=0.029,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc=-0.00887 K(o=-0.0089,f=-0.93) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.583 USER MOD Single : A 69 ASN : amide:sc= -0.372 K(o=-0.37,f=-7.4!) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0.948 (180deg=0.437) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00235 K(o=-0.0023,f=-0.71) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00855 (180deg=-0.174) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0071 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 169:sc=-0.00842 (180deg=-0.143) USER MOD Single : A 105 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1.5) USER MOD Single : A 107 GLN : amide:sc= -0.835 K(o=-0.83,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc=-0.00419 (180deg=-0.00419) USER MOD Single : A 112 GLN : amide:sc= -1.87! C(o=-1.9!,f=-6.8!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.073) USER MOD Single : A 120 ASN : amide:sc= 0.101 K(o=0.1,f=-7.1!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -161:sc= -0.067 (180deg=-0.49) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.02) USER MOD Single : A 140 SER OG : rot -59:sc= -1.86! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -22.623 -6.563 2.411 1.00 0.00 N ATOM 2 CA GLY A 15 -22.080 -5.206 2.656 1.00 0.00 C ATOM 3 C GLY A 15 -21.485 -4.602 1.402 1.00 0.00 C ATOM 4 O GLY A 15 -21.472 -5.235 0.345 1.00 0.00 O ATOM 0 HA2 GLY A 15 -22.874 -4.559 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.317 -5.255 3.433 1.00 0.00 H new ATOM 10 N SER A 16 -20.997 -3.380 1.515 1.00 0.00 N ATOM 11 CA SER A 16 -20.375 -2.701 0.394 1.00 0.00 C ATOM 12 C SER A 16 -18.865 -2.633 0.590 1.00 0.00 C ATOM 13 O SER A 16 -18.095 -3.077 -0.261 1.00 0.00 O ATOM 14 CB SER A 16 -20.963 -1.298 0.248 1.00 0.00 C ATOM 15 OG SER A 16 -22.376 -1.361 0.143 1.00 0.00 O ATOM 0 H SER A 16 -21.020 -2.835 2.377 1.00 0.00 H new ATOM 0 HA SER A 16 -20.576 -3.261 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.683 -0.689 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.548 -0.813 -0.636 1.00 0.00 H new ATOM 0 HG SER A 16 -22.738 -0.455 0.052 1.00 0.00 H new ATOM 21 N SER A 17 -18.452 -2.094 1.726 1.00 0.00 N ATOM 22 CA SER A 17 -17.044 -1.975 2.053 1.00 0.00 C ATOM 23 C SER A 17 -16.867 -1.742 3.546 1.00 0.00 C ATOM 24 O SER A 17 -17.192 -0.666 4.056 1.00 0.00 O ATOM 25 CB SER A 17 -16.415 -0.829 1.258 1.00 0.00 C ATOM 26 OG SER A 17 -17.163 0.367 1.415 1.00 0.00 O ATOM 0 H SER A 17 -19.080 -1.729 2.442 1.00 0.00 H new ATOM 0 HA SER A 17 -16.542 -2.904 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.390 -0.668 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.367 -1.097 0.202 1.00 0.00 H new ATOM 0 HG SER A 17 -17.432 0.464 2.352 1.00 0.00 H new ATOM 32 N GLY A 18 -16.388 -2.762 4.243 1.00 0.00 N ATOM 33 CA GLY A 18 -16.081 -2.622 5.652 1.00 0.00 C ATOM 34 C GLY A 18 -15.018 -1.569 5.898 1.00 0.00 C ATOM 35 O GLY A 18 -14.214 -1.272 5.009 1.00 0.00 O ATOM 0 H GLY A 18 -16.206 -3.688 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.987 -2.357 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.741 -3.580 6.046 1.00 0.00 H new ATOM 39 N ASN A 19 -15.021 -1.006 7.098 1.00 0.00 N ATOM 40 CA ASN A 19 -14.083 0.049 7.465 1.00 0.00 C ATOM 41 C ASN A 19 -12.646 -0.427 7.326 1.00 0.00 C ATOM 42 O ASN A 19 -12.331 -1.586 7.592 1.00 0.00 O ATOM 43 CB ASN A 19 -14.326 0.508 8.906 1.00 0.00 C ATOM 44 CG ASN A 19 -15.718 1.065 9.128 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.655 0.325 9.419 1.00 0.00 O ATOM 46 ND2 ASN A 19 -15.862 2.374 8.994 1.00 0.00 N ATOM 0 H ASN A 19 -15.669 -1.265 7.842 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.246 0.886 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.166 -0.333 9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.591 1.269 9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.777 2.803 9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.058 2.953 8.751 1.00 0.00 H new ATOM 53 N PRO A 20 -11.761 0.494 6.914 1.00 0.00 N ATOM 54 CA PRO A 20 -10.335 0.215 6.725 1.00 0.00 C ATOM 55 C PRO A 20 -9.686 -0.272 8.012 1.00 0.00 C ATOM 56 O PRO A 20 -8.738 -1.053 7.990 1.00 0.00 O ATOM 57 CB PRO A 20 -9.740 1.566 6.320 1.00 0.00 C ATOM 58 CG PRO A 20 -10.894 2.411 5.903 1.00 0.00 C ATOM 59 CD PRO A 20 -12.101 1.890 6.615 1.00 0.00 C ATOM 0 HA PRO A 20 -10.171 -0.569 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.203 2.021 7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.026 1.450 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.718 3.456 6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.034 2.365 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.303 2.455 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.993 1.959 5.992 1.00 0.00 H new ATOM 67 N GLU A 21 -10.213 0.213 9.128 1.00 0.00 N ATOM 68 CA GLU A 21 -9.768 -0.210 10.447 1.00 0.00 C ATOM 69 C GLU A 21 -10.023 -1.701 10.666 1.00 0.00 C ATOM 70 O GLU A 21 -9.229 -2.390 11.303 1.00 0.00 O ATOM 71 CB GLU A 21 -10.498 0.594 11.524 1.00 0.00 C ATOM 72 CG GLU A 21 -10.188 0.131 12.935 1.00 0.00 C ATOM 73 CD GLU A 21 -11.155 0.689 13.953 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.188 0.036 14.212 1.00 0.00 O ATOM 75 OE2 GLU A 21 -10.888 1.779 14.501 1.00 0.00 O ATOM 0 H GLU A 21 -10.959 0.909 9.144 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.695 -0.030 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.228 1.646 11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.572 0.523 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.216 -0.958 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.174 0.433 13.198 1.00 0.00 H new ATOM 82 N ASP A 22 -11.126 -2.195 10.118 1.00 0.00 N ATOM 83 CA ASP A 22 -11.542 -3.577 10.342 1.00 0.00 C ATOM 84 C ASP A 22 -10.797 -4.550 9.437 1.00 0.00 C ATOM 85 O ASP A 22 -11.049 -5.752 9.468 1.00 0.00 O ATOM 86 CB ASP A 22 -13.053 -3.733 10.145 1.00 0.00 C ATOM 87 CG ASP A 22 -13.854 -3.144 11.289 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.832 -3.721 12.397 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.522 -2.108 11.084 1.00 0.00 O ATOM 0 H ASP A 22 -11.750 -1.660 9.514 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.291 -3.819 11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.346 -3.248 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.295 -4.791 10.044 1.00 0.00 H new ATOM 94 N PHE A 23 -9.886 -4.035 8.625 1.00 0.00 N ATOM 95 CA PHE A 23 -9.024 -4.885 7.820 1.00 0.00 C ATOM 96 C PHE A 23 -7.914 -5.454 8.688 1.00 0.00 C ATOM 97 O PHE A 23 -7.536 -4.861 9.700 1.00 0.00 O ATOM 98 CB PHE A 23 -8.423 -4.101 6.650 1.00 0.00 C ATOM 99 CG PHE A 23 -9.361 -3.927 5.490 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.420 -3.040 5.562 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.174 -4.647 4.323 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.279 -2.876 4.492 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.028 -4.489 3.249 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.082 -3.601 3.335 1.00 0.00 C ATOM 0 H PHE A 23 -9.725 -3.035 8.507 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.622 -5.700 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.113 -3.118 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.525 -4.613 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.577 -2.469 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.350 -5.341 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.103 -2.181 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.872 -5.058 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.752 -3.474 2.497 1.00 0.00 H new ATOM 114 N LYS A 24 -7.398 -6.602 8.290 1.00 0.00 N ATOM 115 CA LYS A 24 -6.332 -7.263 9.027 1.00 0.00 C ATOM 116 C LYS A 24 -5.023 -6.550 8.736 1.00 0.00 C ATOM 117 O LYS A 24 -4.081 -6.590 9.528 1.00 0.00 O ATOM 118 CB LYS A 24 -6.233 -8.733 8.611 1.00 0.00 C ATOM 119 CG LYS A 24 -5.467 -9.619 9.584 1.00 0.00 C ATOM 120 CD LYS A 24 -6.242 -9.838 10.874 1.00 0.00 C ATOM 121 CE LYS A 24 -5.644 -10.966 11.704 1.00 0.00 C ATOM 122 NZ LYS A 24 -4.255 -10.671 12.142 1.00 0.00 N ATOM 0 H LYS A 24 -7.702 -7.101 7.454 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.545 -7.223 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.241 -9.132 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.752 -8.789 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.261 -10.581 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.504 -9.162 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.244 -8.918 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.281 -10.070 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.269 -11.140 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.650 -11.886 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.916 -11.436 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.637 -10.598 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.239 -9.772 12.665 1.00 0.00 H new ATOM 136 N VAL A 25 -4.982 -5.884 7.586 1.00 0.00 N ATOM 137 CA VAL A 25 -3.810 -5.139 7.174 1.00 0.00 C ATOM 138 C VAL A 25 -3.669 -3.853 7.978 1.00 0.00 C ATOM 139 O VAL A 25 -2.611 -3.237 7.969 1.00 0.00 O ATOM 140 CB VAL A 25 -3.857 -4.786 5.669 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.476 -5.911 4.873 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.604 -3.483 5.420 1.00 0.00 C ATOM 0 H VAL A 25 -5.756 -5.849 6.923 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.950 -5.782 7.359 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.829 -4.648 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.499 -5.640 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.884 -6.817 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.493 -6.088 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.616 -3.269 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.628 -3.575 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.104 -2.671 5.947 1.00 0.00 H new ATOM 152 N PHE A 26 -4.734 -3.456 8.672 1.00 0.00 N ATOM 153 CA PHE A 26 -4.727 -2.205 9.418 1.00 0.00 C ATOM 154 C PHE A 26 -3.578 -2.190 10.417 1.00 0.00 C ATOM 155 O PHE A 26 -2.791 -1.251 10.452 1.00 0.00 O ATOM 156 CB PHE A 26 -6.056 -1.991 10.142 1.00 0.00 C ATOM 157 CG PHE A 26 -6.137 -0.674 10.860 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.362 0.500 10.156 1.00 0.00 C ATOM 159 CD2 PHE A 26 -5.982 -0.606 12.236 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.434 1.714 10.812 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.052 0.605 12.896 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.277 1.767 12.184 1.00 0.00 C ATOM 0 H PHE A 26 -5.607 -3.981 8.732 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.589 -1.390 8.708 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.870 -2.053 9.419 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.205 -2.798 10.860 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.482 0.465 9.083 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.804 -1.511 12.798 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.613 2.621 10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.931 0.643 13.968 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.330 2.715 12.698 1.00 0.00 H new ATOM 172 N LYS A 27 -3.469 -3.253 11.206 1.00 0.00 N ATOM 173 CA LYS A 27 -2.403 -3.383 12.175 1.00 0.00 C ATOM 174 C LYS A 27 -1.053 -3.495 11.475 1.00 0.00 C ATOM 175 O LYS A 27 -0.087 -2.841 11.864 1.00 0.00 O ATOM 176 CB LYS A 27 -2.673 -4.616 13.034 1.00 0.00 C ATOM 177 CG LYS A 27 -1.438 -5.246 13.644 1.00 0.00 C ATOM 178 CD LYS A 27 -1.287 -4.919 15.123 1.00 0.00 C ATOM 179 CE LYS A 27 -1.112 -3.427 15.360 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.102 -3.092 16.808 1.00 0.00 N ATOM 0 H LYS A 27 -4.116 -4.041 11.188 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.371 -2.497 12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.357 -4.340 13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.181 -5.363 12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.485 -6.328 13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.555 -4.901 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.165 -5.272 15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.427 -5.454 15.527 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.179 -3.094 14.904 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.919 -2.884 14.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.981 -2.066 16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.002 -3.386 17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.316 -3.589 17.274 1.00 0.00 H new ATOM 194 N TYR A 28 -1.006 -4.308 10.428 1.00 0.00 N ATOM 195 CA TYR A 28 0.232 -4.547 9.700 1.00 0.00 C ATOM 196 C TYR A 28 0.770 -3.272 9.061 1.00 0.00 C ATOM 197 O TYR A 28 1.954 -2.975 9.172 1.00 0.00 O ATOM 198 CB TYR A 28 0.024 -5.618 8.635 1.00 0.00 C ATOM 199 CG TYR A 28 0.016 -7.024 9.184 1.00 0.00 C ATOM 200 CD1 TYR A 28 -1.160 -7.624 9.611 1.00 0.00 C ATOM 201 CD2 TYR A 28 1.192 -7.751 9.268 1.00 0.00 C ATOM 202 CE1 TYR A 28 -1.159 -8.912 10.108 1.00 0.00 C ATOM 203 CE2 TYR A 28 1.204 -9.036 9.761 1.00 0.00 C ATOM 204 CZ TYR A 28 0.024 -9.615 10.181 1.00 0.00 C ATOM 205 OH TYR A 28 0.023 -10.900 10.673 1.00 0.00 O ATOM 0 H TYR A 28 -1.813 -4.814 10.064 1.00 0.00 H new ATOM 0 HA TYR A 28 0.972 -4.895 10.421 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.920 -5.431 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.813 -5.533 7.888 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.089 -7.076 9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.117 -7.301 8.940 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.081 -9.367 10.438 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.131 -9.587 9.819 1.00 0.00 H new ATOM 0 HH TYR A 28 0.935 -11.257 10.657 1.00 0.00 H new ATOM 215 N MET A 29 -0.093 -2.520 8.397 1.00 0.00 N ATOM 216 CA MET A 29 0.333 -1.280 7.763 1.00 0.00 C ATOM 217 C MET A 29 0.576 -0.189 8.801 1.00 0.00 C ATOM 218 O MET A 29 1.382 0.715 8.584 1.00 0.00 O ATOM 219 CB MET A 29 -0.683 -0.817 6.717 1.00 0.00 C ATOM 220 CG MET A 29 -0.901 -1.832 5.610 1.00 0.00 C ATOM 221 SD MET A 29 -1.936 -1.205 4.279 1.00 0.00 S ATOM 222 CE MET A 29 -1.895 -2.594 3.152 1.00 0.00 C ATOM 0 H MET A 29 -1.082 -2.742 8.283 1.00 0.00 H new ATOM 0 HA MET A 29 1.276 -1.477 7.252 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.635 -0.614 7.208 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.343 0.122 6.280 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.065 -2.131 5.202 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.360 -2.727 6.030 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.602 -2.425 2.340 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.890 -2.701 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.168 -3.504 3.686 1.00 0.00 H new ATOM 232 N LYS A 30 -0.103 -0.281 9.938 1.00 0.00 N ATOM 233 CA LYS A 30 0.119 0.663 11.026 1.00 0.00 C ATOM 234 C LYS A 30 1.471 0.432 11.688 1.00 0.00 C ATOM 235 O LYS A 30 2.161 1.386 12.048 1.00 0.00 O ATOM 236 CB LYS A 30 -1.004 0.589 12.066 1.00 0.00 C ATOM 237 CG LYS A 30 -2.146 1.557 11.791 1.00 0.00 C ATOM 238 CD LYS A 30 -1.685 3.004 11.887 1.00 0.00 C ATOM 239 CE LYS A 30 -2.779 3.970 11.469 1.00 0.00 C ATOM 240 NZ LYS A 30 -2.325 5.385 11.543 1.00 0.00 N ATOM 0 H LYS A 30 -0.807 -0.994 10.130 1.00 0.00 H new ATOM 0 HA LYS A 30 0.116 1.663 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.397 -0.427 12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.590 0.798 13.053 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.553 1.369 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.952 1.383 12.504 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.379 3.221 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.809 3.150 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.095 3.743 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.649 3.833 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.100 6.014 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.047 5.610 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.510 5.522 10.911 1.00 0.00 H new ATOM 254 N ILE A 31 1.861 -0.828 11.846 1.00 0.00 N ATOM 255 CA ILE A 31 3.179 -1.127 12.384 1.00 0.00 C ATOM 256 C ILE A 31 4.233 -0.941 11.300 1.00 0.00 C ATOM 257 O ILE A 31 5.386 -0.672 11.598 1.00 0.00 O ATOM 258 CB ILE A 31 3.281 -2.549 12.989 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.180 -3.622 11.903 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.206 -2.748 14.048 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.138 -5.037 12.443 1.00 0.00 C ATOM 0 H ILE A 31 1.294 -1.644 11.614 1.00 0.00 H new ATOM 0 HA ILE A 31 3.355 -0.428 13.202 1.00 0.00 H new ATOM 0 HB ILE A 31 4.258 -2.649 13.461 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.283 -3.443 11.310 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.032 -3.525 11.230 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.288 -3.751 14.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.337 -2.013 14.842 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.222 -2.623 13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.066 -5.741 11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.047 -5.237 13.011 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.271 -5.153 13.093 1.00 0.00 H new ATOM 273 N LEU A 32 3.813 -1.072 10.042 1.00 0.00 N ATOM 274 CA LEU A 32 4.668 -0.788 8.889 1.00 0.00 C ATOM 275 C LEU A 32 5.108 0.672 8.940 1.00 0.00 C ATOM 276 O LEU A 32 6.301 0.977 8.876 1.00 0.00 O ATOM 277 CB LEU A 32 3.885 -1.079 7.595 1.00 0.00 C ATOM 278 CG LEU A 32 4.690 -1.153 6.290 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.839 -1.769 5.191 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.164 0.225 5.854 1.00 0.00 C ATOM 0 H LEU A 32 2.872 -1.377 9.793 1.00 0.00 H new ATOM 0 HA LEU A 32 5.555 -1.421 8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.361 -2.026 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.124 -0.307 7.479 1.00 0.00 H new ATOM 0 HG LEU A 32 5.566 -1.776 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.417 -1.818 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.538 -2.775 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.952 -1.156 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.731 0.138 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.302 0.872 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.799 0.653 6.629 1.00 0.00 H new ATOM 292 N GLU A 33 4.114 1.552 9.065 1.00 0.00 N ATOM 293 CA GLU A 33 4.314 2.992 9.214 1.00 0.00 C ATOM 294 C GLU A 33 5.444 3.289 10.196 1.00 0.00 C ATOM 295 O GLU A 33 6.346 4.077 9.917 1.00 0.00 O ATOM 296 CB GLU A 33 3.005 3.592 9.724 1.00 0.00 C ATOM 297 CG GLU A 33 2.676 4.965 9.171 1.00 0.00 C ATOM 298 CD GLU A 33 3.473 6.079 9.824 1.00 0.00 C ATOM 299 OE1 GLU A 33 3.211 6.378 11.009 1.00 0.00 O ATOM 300 OE2 GLU A 33 4.341 6.681 9.162 1.00 0.00 O ATOM 0 H GLU A 33 3.131 1.279 9.065 1.00 0.00 H new ATOM 0 HA GLU A 33 4.592 3.428 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.190 2.912 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.050 3.655 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.866 4.972 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.612 5.159 9.308 1.00 0.00 H new ATOM 307 N GLU A 34 5.389 2.629 11.338 1.00 0.00 N ATOM 308 CA GLU A 34 6.380 2.813 12.382 1.00 0.00 C ATOM 309 C GLU A 34 7.686 2.083 12.065 1.00 0.00 C ATOM 310 O GLU A 34 8.754 2.688 12.056 1.00 0.00 O ATOM 311 CB GLU A 34 5.807 2.322 13.713 1.00 0.00 C ATOM 312 CG GLU A 34 6.849 2.106 14.793 1.00 0.00 C ATOM 313 CD GLU A 34 6.229 1.751 16.125 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.862 0.574 16.321 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.102 2.652 16.984 1.00 0.00 O ATOM 0 H GLU A 34 4.660 1.954 11.567 1.00 0.00 H new ATOM 0 HA GLU A 34 6.614 3.876 12.447 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.074 3.046 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.275 1.386 13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.527 1.310 14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.448 3.010 14.903 1.00 0.00 H new ATOM 322 N ALA A 35 7.580 0.791 11.779 1.00 0.00 N ATOM 323 CA ALA A 35 8.737 -0.097 11.688 1.00 0.00 C ATOM 324 C ALA A 35 9.740 0.340 10.626 1.00 0.00 C ATOM 325 O ALA A 35 10.949 0.249 10.839 1.00 0.00 O ATOM 326 CB ALA A 35 8.280 -1.524 11.426 1.00 0.00 C ATOM 0 H ALA A 35 6.689 0.327 11.603 1.00 0.00 H new ATOM 0 HA ALA A 35 9.253 -0.045 12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.149 -2.178 11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.637 -1.856 12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.725 -1.562 10.489 1.00 0.00 H new ATOM 332 N MET A 36 9.241 0.820 9.492 1.00 0.00 N ATOM 333 CA MET A 36 10.107 1.233 8.392 1.00 0.00 C ATOM 334 C MET A 36 11.054 2.351 8.812 1.00 0.00 C ATOM 335 O MET A 36 12.227 2.354 8.440 1.00 0.00 O ATOM 336 CB MET A 36 9.262 1.676 7.203 1.00 0.00 C ATOM 337 CG MET A 36 8.505 0.534 6.561 1.00 0.00 C ATOM 338 SD MET A 36 9.593 -0.641 5.731 1.00 0.00 S ATOM 339 CE MET A 36 8.409 -1.856 5.155 1.00 0.00 C ATOM 0 H MET A 36 8.244 0.933 9.310 1.00 0.00 H new ATOM 0 HA MET A 36 10.716 0.376 8.104 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.553 2.436 7.531 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.907 2.142 6.458 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.927 0.012 7.324 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.792 0.935 5.840 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.932 -2.649 4.621 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.880 -2.281 6.008 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.694 -1.378 4.486 1.00 0.00 H new ATOM 349 N GLU A 37 10.541 3.297 9.585 1.00 0.00 N ATOM 350 CA GLU A 37 11.356 4.410 10.056 1.00 0.00 C ATOM 351 C GLU A 37 11.995 4.092 11.409 1.00 0.00 C ATOM 352 O GLU A 37 12.972 4.724 11.816 1.00 0.00 O ATOM 353 CB GLU A 37 10.508 5.671 10.145 1.00 0.00 C ATOM 354 CG GLU A 37 11.299 6.918 10.493 1.00 0.00 C ATOM 355 CD GLU A 37 10.419 8.146 10.537 1.00 0.00 C ATOM 356 OE1 GLU A 37 9.654 8.292 11.513 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.474 8.960 9.591 1.00 0.00 O ATOM 0 H GLU A 37 9.571 3.318 9.898 1.00 0.00 H new ATOM 0 HA GLU A 37 12.162 4.575 9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.004 5.826 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.732 5.523 10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.784 6.783 11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.090 7.064 9.758 1.00 0.00 H new ATOM 364 N ASN A 38 11.429 3.113 12.107 1.00 0.00 N ATOM 365 CA ASN A 38 11.959 2.674 13.398 1.00 0.00 C ATOM 366 C ASN A 38 13.329 2.032 13.209 1.00 0.00 C ATOM 367 O ASN A 38 14.138 1.965 14.138 1.00 0.00 O ATOM 368 CB ASN A 38 11.000 1.678 14.057 1.00 0.00 C ATOM 369 CG ASN A 38 11.403 1.318 15.475 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.961 2.136 16.209 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.124 0.088 15.872 1.00 0.00 N ATOM 0 H ASN A 38 10.599 2.605 11.801 1.00 0.00 H new ATOM 0 HA ASN A 38 12.060 3.543 14.048 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.995 2.101 14.067 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.958 0.770 13.455 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.372 -0.212 16.815 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.661 -0.561 15.235 1.00 0.00 H new ATOM 378 N ASP A 39 13.569 1.549 11.999 1.00 0.00 N ATOM 379 CA ASP A 39 14.872 1.042 11.614 1.00 0.00 C ATOM 380 C ASP A 39 15.896 2.164 11.695 1.00 0.00 C ATOM 381 O ASP A 39 15.654 3.277 11.233 1.00 0.00 O ATOM 382 CB ASP A 39 14.817 0.482 10.192 1.00 0.00 C ATOM 383 CG ASP A 39 16.141 -0.100 9.751 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.449 -1.241 10.148 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.879 0.575 9.012 1.00 0.00 O ATOM 0 H ASP A 39 12.867 1.499 11.261 1.00 0.00 H new ATOM 0 HA ASP A 39 15.162 0.241 12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.048 -0.289 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.524 1.274 9.503 1.00 0.00 H new ATOM 390 N THR A 40 17.033 1.858 12.297 1.00 0.00 N ATOM 391 CA THR A 40 18.068 2.850 12.559 1.00 0.00 C ATOM 392 C THR A 40 18.631 3.443 11.272 1.00 0.00 C ATOM 393 O THR A 40 19.016 4.612 11.233 1.00 0.00 O ATOM 394 CB THR A 40 19.207 2.232 13.385 1.00 0.00 C ATOM 395 OG1 THR A 40 19.532 0.937 12.865 1.00 0.00 O ATOM 396 CG2 THR A 40 18.810 2.112 14.847 1.00 0.00 C ATOM 0 H THR A 40 17.266 0.918 12.618 1.00 0.00 H new ATOM 0 HA THR A 40 17.602 3.657 13.125 1.00 0.00 H new ATOM 0 HB THR A 40 20.078 2.884 13.316 1.00 0.00 H new ATOM 0 HG1 THR A 40 20.260 0.546 13.392 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.632 1.672 15.412 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.584 3.101 15.245 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.929 1.476 14.934 1.00 0.00 H new ATOM 404 N GLU A 41 18.682 2.635 10.224 1.00 0.00 N ATOM 405 CA GLU A 41 19.149 3.073 8.941 1.00 0.00 C ATOM 406 C GLU A 41 18.002 3.570 8.073 1.00 0.00 C ATOM 407 O GLU A 41 18.240 3.978 6.934 1.00 0.00 O ATOM 408 CB GLU A 41 19.823 1.900 8.261 1.00 0.00 C ATOM 409 CG GLU A 41 21.095 1.451 8.944 1.00 0.00 C ATOM 410 CD GLU A 41 21.835 0.402 8.145 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.311 0.718 7.036 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.939 -0.747 8.620 1.00 0.00 O ATOM 0 H GLU A 41 18.397 1.656 10.252 1.00 0.00 H new ATOM 0 HA GLU A 41 19.845 3.900 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.126 1.063 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.051 2.171 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.745 2.312 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.854 1.052 9.929 1.00 0.00 H new ATOM 419 N ASN A 42 16.775 3.538 8.623 1.00 0.00 N ATOM 420 CA ASN A 42 15.560 3.984 7.931 1.00 0.00 C ATOM 421 C ASN A 42 15.651 3.681 6.443 1.00 0.00 C ATOM 422 O ASN A 42 15.662 4.581 5.595 1.00 0.00 O ATOM 423 CB ASN A 42 15.254 5.475 8.203 1.00 0.00 C ATOM 424 CG ASN A 42 16.379 6.427 7.823 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.420 6.950 6.708 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.287 6.676 8.755 1.00 0.00 N ATOM 0 H ASN A 42 16.601 3.198 9.569 1.00 0.00 H new ATOM 0 HA ASN A 42 14.718 3.421 8.335 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.356 5.755 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.031 5.600 9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.054 7.320 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.219 6.224 9.667 1.00 0.00 H new ATOM 433 N LEU A 43 15.725 2.382 6.148 1.00 0.00 N ATOM 434 CA LEU A 43 15.959 1.879 4.795 1.00 0.00 C ATOM 435 C LEU A 43 14.913 2.382 3.809 1.00 0.00 C ATOM 436 O LEU A 43 15.084 2.256 2.597 1.00 0.00 O ATOM 437 CB LEU A 43 15.968 0.348 4.799 1.00 0.00 C ATOM 438 CG LEU A 43 17.017 -0.300 5.708 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.847 -1.810 5.720 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.423 0.070 5.258 1.00 0.00 C ATOM 0 H LEU A 43 15.623 1.645 6.846 1.00 0.00 H new ATOM 0 HA LEU A 43 16.930 2.255 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.982 -0.004 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.131 -0.000 3.779 1.00 0.00 H new ATOM 0 HG LEU A 43 16.871 0.076 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.600 -2.256 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.853 -2.061 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.966 -2.198 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.152 -0.401 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.581 -0.276 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.545 1.152 5.297 1.00 0.00 H new ATOM 452 N ILE A 44 13.843 2.964 4.332 1.00 0.00 N ATOM 453 CA ILE A 44 12.777 3.492 3.496 1.00 0.00 C ATOM 454 C ILE A 44 13.302 4.603 2.582 1.00 0.00 C ATOM 455 O ILE A 44 12.809 4.788 1.471 1.00 0.00 O ATOM 456 CB ILE A 44 11.604 4.043 4.337 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.352 4.146 3.475 1.00 0.00 C ATOM 458 CG2 ILE A 44 11.941 5.405 4.932 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.590 2.847 3.338 1.00 0.00 C ATOM 0 H ILE A 44 13.691 3.082 5.334 1.00 0.00 H new ATOM 0 HA ILE A 44 12.411 2.661 2.892 1.00 0.00 H new ATOM 0 HB ILE A 44 11.423 3.352 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.691 4.900 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.635 4.496 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.095 5.765 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.816 5.314 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.153 6.111 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.713 3.004 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.233 2.094 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.274 2.505 4.323 1.00 0.00 H new ATOM 471 N GLU A 45 14.310 5.338 3.053 1.00 0.00 N ATOM 472 CA GLU A 45 14.830 6.464 2.312 1.00 0.00 C ATOM 473 C GLU A 45 15.683 5.996 1.139 1.00 0.00 C ATOM 474 O GLU A 45 15.794 6.678 0.122 1.00 0.00 O ATOM 475 CB GLU A 45 15.651 7.364 3.225 1.00 0.00 C ATOM 476 CG GLU A 45 15.610 8.809 2.792 1.00 0.00 C ATOM 477 CD GLU A 45 16.609 9.679 3.521 1.00 0.00 C ATOM 478 OE1 GLU A 45 17.816 9.602 3.201 1.00 0.00 O ATOM 479 OE2 GLU A 45 16.196 10.452 4.407 1.00 0.00 O ATOM 0 H GLU A 45 14.775 5.166 3.944 1.00 0.00 H new ATOM 0 HA GLU A 45 13.985 7.030 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.276 7.282 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.685 7.020 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.802 8.866 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.607 9.202 2.957 1.00 0.00 H new ATOM 486 N LYS A 46 16.263 4.815 1.282 1.00 0.00 N ATOM 487 CA LYS A 46 17.122 4.250 0.251 1.00 0.00 C ATOM 488 C LYS A 46 16.292 3.770 -0.935 1.00 0.00 C ATOM 489 O LYS A 46 16.814 3.529 -2.025 1.00 0.00 O ATOM 490 CB LYS A 46 17.930 3.093 0.831 1.00 0.00 C ATOM 491 CG LYS A 46 18.929 3.536 1.885 1.00 0.00 C ATOM 492 CD LYS A 46 19.413 2.360 2.717 1.00 0.00 C ATOM 493 CE LYS A 46 20.511 2.761 3.692 1.00 0.00 C ATOM 494 NZ LYS A 46 20.082 3.837 4.628 1.00 0.00 N ATOM 0 H LYS A 46 16.154 4.225 2.107 1.00 0.00 H new ATOM 0 HA LYS A 46 17.805 5.024 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.248 2.364 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.461 2.588 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.780 4.018 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.469 4.279 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.574 1.938 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.784 1.577 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.819 1.887 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.383 3.098 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.835 4.013 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.894 4.709 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.216 3.542 5.123 1.00 0.00 H new ATOM 508 N VAL A 47 14.996 3.636 -0.705 1.00 0.00 N ATOM 509 CA VAL A 47 14.074 3.152 -1.718 1.00 0.00 C ATOM 510 C VAL A 47 12.855 4.079 -1.814 1.00 0.00 C ATOM 511 O VAL A 47 11.743 3.641 -2.097 1.00 0.00 O ATOM 512 CB VAL A 47 13.651 1.690 -1.414 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.884 1.594 -0.101 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.853 1.086 -2.565 1.00 0.00 C ATOM 0 H VAL A 47 14.555 3.859 0.187 1.00 0.00 H new ATOM 0 HA VAL A 47 14.577 3.157 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 47 14.564 1.105 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.603 0.557 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.514 1.948 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.986 2.208 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.574 0.062 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.952 1.677 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.461 1.087 -3.469 1.00 0.00 H new ATOM 524 N ARG A 48 13.071 5.371 -1.555 1.00 0.00 N ATOM 525 CA ARG A 48 11.975 6.339 -1.529 1.00 0.00 C ATOM 526 C ARG A 48 11.082 6.243 -2.751 1.00 0.00 C ATOM 527 O ARG A 48 11.457 6.618 -3.864 1.00 0.00 O ATOM 528 CB ARG A 48 12.488 7.761 -1.371 1.00 0.00 C ATOM 529 CG ARG A 48 12.955 8.038 0.036 1.00 0.00 C ATOM 530 CD ARG A 48 13.069 9.526 0.318 1.00 0.00 C ATOM 531 NE ARG A 48 14.053 10.185 -0.537 1.00 0.00 N ATOM 532 CZ ARG A 48 14.383 11.472 -0.435 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.823 12.235 0.499 1.00 0.00 N ATOM 534 NH2 ARG A 48 15.281 11.995 -1.262 1.00 0.00 N ATOM 0 H ARG A 48 13.990 5.768 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 48 11.372 6.084 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.311 7.929 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.698 8.463 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.259 7.588 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.923 7.564 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.096 9.995 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.343 9.674 1.363 1.00 0.00 H new ATOM 0 HE ARG A 48 14.515 9.627 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.138 11.836 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.078 13.220 0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.718 11.412 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.533 12.980 -1.184 1.00 0.00 H new ATOM 548 N GLY A 49 9.890 5.753 -2.501 1.00 0.00 N ATOM 549 CA GLY A 49 8.909 5.548 -3.538 1.00 0.00 C ATOM 550 C GLY A 49 7.525 5.463 -2.946 1.00 0.00 C ATOM 551 O GLY A 49 7.375 5.418 -1.729 1.00 0.00 O ATOM 0 H GLY A 49 9.574 5.485 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.954 6.367 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.134 4.632 -4.084 1.00 0.00 H new ATOM 555 N ILE A 50 6.510 5.464 -3.779 1.00 0.00 N ATOM 556 CA ILE A 50 5.153 5.363 -3.281 1.00 0.00 C ATOM 557 C ILE A 50 4.578 3.983 -3.560 1.00 0.00 C ATOM 558 O ILE A 50 4.575 3.517 -4.698 1.00 0.00 O ATOM 559 CB ILE A 50 4.254 6.452 -3.888 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.833 7.826 -3.552 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.826 6.321 -3.376 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.012 8.983 -4.062 1.00 0.00 C ATOM 0 H ILE A 50 6.593 5.533 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 50 5.184 5.514 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 50 4.225 6.333 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.930 7.913 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.838 7.896 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.208 7.102 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.429 5.344 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.818 6.423 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.491 9.921 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.936 8.925 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.014 8.941 -3.626 1.00 0.00 H new ATOM 574 N TYR A 51 4.105 3.334 -2.512 1.00 0.00 N ATOM 575 CA TYR A 51 3.564 1.990 -2.628 1.00 0.00 C ATOM 576 C TYR A 51 2.052 2.025 -2.479 1.00 0.00 C ATOM 577 O TYR A 51 1.536 2.403 -1.430 1.00 0.00 O ATOM 578 CB TYR A 51 4.164 1.071 -1.558 1.00 0.00 C ATOM 579 CG TYR A 51 5.662 1.209 -1.394 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.537 0.484 -2.190 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.198 2.065 -0.442 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.904 0.609 -2.041 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.563 2.195 -0.287 1.00 0.00 C ATOM 584 CZ TYR A 51 8.410 1.465 -1.090 1.00 0.00 C ATOM 585 OH TYR A 51 9.767 1.588 -0.937 1.00 0.00 O ATOM 0 H TYR A 51 4.084 3.717 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 51 3.824 1.599 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.684 1.282 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.931 0.037 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.143 -0.188 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.535 2.639 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.573 0.038 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.964 2.865 0.459 1.00 0.00 H new ATOM 0 HH TYR A 51 10.088 2.350 -1.463 1.00 0.00 H new ATOM 595 N GLY A 52 1.349 1.652 -3.527 1.00 0.00 N ATOM 596 CA GLY A 52 -0.092 1.597 -3.458 1.00 0.00 C ATOM 597 C GLY A 52 -0.568 0.190 -3.188 1.00 0.00 C ATOM 598 O GLY A 52 -0.413 -0.695 -4.024 1.00 0.00 O ATOM 0 H GLY A 52 1.748 1.385 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.447 2.262 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.518 1.955 -4.395 1.00 0.00 H new ATOM 602 N PHE A 53 -1.123 -0.030 -2.014 1.00 0.00 N ATOM 603 CA PHE A 53 -1.579 -1.357 -1.636 1.00 0.00 C ATOM 604 C PHE A 53 -3.084 -1.491 -1.784 1.00 0.00 C ATOM 605 O PHE A 53 -3.852 -0.973 -0.970 1.00 0.00 O ATOM 606 CB PHE A 53 -1.157 -1.690 -0.206 1.00 0.00 C ATOM 607 CG PHE A 53 0.153 -2.421 -0.121 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.345 -1.786 -0.433 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.189 -3.749 0.275 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.548 -2.462 -0.353 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.388 -4.430 0.357 1.00 0.00 C ATOM 612 CZ PHE A 53 2.570 -3.786 0.043 1.00 0.00 C ATOM 0 H PHE A 53 -1.270 0.689 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.108 -2.069 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.086 -0.766 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.933 -2.296 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.334 -0.751 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.731 -4.257 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.470 -1.956 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.402 -5.465 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.509 -4.316 0.107 1.00 0.00 H new ATOM 622 N LYS A 54 -3.493 -2.184 -2.836 1.00 0.00 N ATOM 623 CA LYS A 54 -4.898 -2.463 -3.080 1.00 0.00 C ATOM 624 C LYS A 54 -5.266 -3.796 -2.450 1.00 0.00 C ATOM 625 O LYS A 54 -4.964 -4.860 -2.994 1.00 0.00 O ATOM 626 CB LYS A 54 -5.190 -2.480 -4.582 1.00 0.00 C ATOM 627 CG LYS A 54 -5.080 -1.116 -5.235 1.00 0.00 C ATOM 628 CD LYS A 54 -5.454 -1.163 -6.705 1.00 0.00 C ATOM 629 CE LYS A 54 -5.413 0.224 -7.322 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.912 0.233 -8.721 1.00 0.00 N ATOM 0 H LYS A 54 -2.863 -2.567 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.502 -1.676 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.497 -3.165 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.194 -2.872 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.731 -0.411 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.061 -0.744 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.768 -1.822 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.453 -1.585 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.014 0.905 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.390 0.599 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.865 1.200 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.323 -0.396 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.897 -0.099 -8.740 1.00 0.00 H new ATOM 644 N VAL A 55 -5.908 -3.731 -1.299 1.00 0.00 N ATOM 645 CA VAL A 55 -6.191 -4.919 -0.519 1.00 0.00 C ATOM 646 C VAL A 55 -7.636 -5.362 -0.709 1.00 0.00 C ATOM 647 O VAL A 55 -8.570 -4.630 -0.386 1.00 0.00 O ATOM 648 CB VAL A 55 -5.921 -4.680 0.978 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.921 -5.992 1.738 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.604 -3.946 1.177 1.00 0.00 C ATOM 0 H VAL A 55 -6.245 -2.863 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.526 -5.706 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.723 -4.056 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.728 -5.801 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.891 -6.476 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.143 -6.643 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.433 -3.788 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.790 -4.541 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.644 -2.983 0.669 1.00 0.00 H new ATOM 660 N ARG A 56 -7.808 -6.561 -1.239 1.00 0.00 N ATOM 661 CA ARG A 56 -9.133 -7.106 -1.492 1.00 0.00 C ATOM 662 C ARG A 56 -9.407 -8.256 -0.531 1.00 0.00 C ATOM 663 O ARG A 56 -8.539 -8.613 0.259 1.00 0.00 O ATOM 664 CB ARG A 56 -9.233 -7.590 -2.940 1.00 0.00 C ATOM 665 CG ARG A 56 -8.737 -6.569 -3.954 1.00 0.00 C ATOM 666 CD ARG A 56 -8.907 -7.066 -5.378 1.00 0.00 C ATOM 667 NE ARG A 56 -10.315 -7.151 -5.763 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.825 -8.127 -6.514 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.045 -9.112 -6.952 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.116 -8.114 -6.829 1.00 0.00 N ATOM 0 H ARG A 56 -7.042 -7.180 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.878 -6.326 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.657 -8.509 -3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.271 -7.837 -3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.283 -5.634 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.685 -6.351 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.384 -6.396 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.444 -8.048 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.946 -6.419 -5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.053 -9.122 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.439 -9.857 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.715 -7.358 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.508 -8.860 -7.404 1.00 0.00 H new ATOM 684 N ASN A 57 -10.605 -8.833 -0.604 1.00 0.00 N ATOM 685 CA ASN A 57 -10.989 -9.953 0.264 1.00 0.00 C ATOM 686 C ASN A 57 -10.877 -9.567 1.735 1.00 0.00 C ATOM 687 O ASN A 57 -10.395 -10.347 2.561 1.00 0.00 O ATOM 688 CB ASN A 57 -10.124 -11.194 -0.001 1.00 0.00 C ATOM 689 CG ASN A 57 -10.332 -11.804 -1.376 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.645 -11.112 -2.346 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.145 -13.111 -1.470 1.00 0.00 N ATOM 0 H ASN A 57 -11.332 -8.544 -1.258 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.027 -10.193 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.074 -10.924 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.343 -11.946 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.260 -13.579 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.886 -13.650 -0.644 1.00 0.00 H new ATOM 698 N GLY A 58 -11.312 -8.354 2.055 1.00 0.00 N ATOM 699 CA GLY A 58 -11.260 -7.878 3.424 1.00 0.00 C ATOM 700 C GLY A 58 -12.315 -8.520 4.305 1.00 0.00 C ATOM 701 O GLY A 58 -12.760 -9.630 4.014 1.00 0.00 O ATOM 0 H GLY A 58 -11.702 -7.689 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.273 -8.082 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.393 -6.796 3.434 1.00 0.00 H new ATOM 705 N PRO A 59 -12.745 -7.822 5.381 1.00 0.00 N ATOM 706 CA PRO A 59 -13.722 -8.319 6.359 1.00 0.00 C ATOM 707 C PRO A 59 -14.775 -9.258 5.772 1.00 0.00 C ATOM 708 O PRO A 59 -14.879 -10.416 6.178 1.00 0.00 O ATOM 709 CB PRO A 59 -14.366 -7.030 6.838 1.00 0.00 C ATOM 710 CG PRO A 59 -13.265 -6.023 6.813 1.00 0.00 C ATOM 711 CD PRO A 59 -12.291 -6.466 5.744 1.00 0.00 C ATOM 0 HA PRO A 59 -13.249 -8.923 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.189 -6.733 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.777 -7.142 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.655 -5.029 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.773 -5.964 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.311 -5.796 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.267 -6.475 6.117 1.00 0.00 H new ATOM 719 N ASN A 60 -15.544 -8.763 4.814 1.00 0.00 N ATOM 720 CA ASN A 60 -16.535 -9.587 4.136 1.00 0.00 C ATOM 721 C ASN A 60 -16.576 -9.235 2.656 1.00 0.00 C ATOM 722 O ASN A 60 -17.528 -8.622 2.176 1.00 0.00 O ATOM 723 CB ASN A 60 -17.919 -9.399 4.767 1.00 0.00 C ATOM 724 CG ASN A 60 -18.937 -10.397 4.241 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.593 -11.526 3.885 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.193 -9.988 4.187 1.00 0.00 N ATOM 0 H ASN A 60 -15.502 -7.797 4.489 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.251 -10.634 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.839 -9.502 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.271 -8.387 4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.919 -10.615 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.436 -9.045 4.491 1.00 0.00 H new ATOM 733 N GLY A 61 -15.519 -9.602 1.943 1.00 0.00 N ATOM 734 CA GLY A 61 -15.421 -9.272 0.531 1.00 0.00 C ATOM 735 C GLY A 61 -15.140 -7.797 0.318 1.00 0.00 C ATOM 736 O GLY A 61 -15.345 -7.260 -0.773 1.00 0.00 O ATOM 0 H GLY A 61 -14.726 -10.123 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.628 -9.863 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.350 -9.542 0.029 1.00 0.00 H new ATOM 740 N ALA A 62 -14.667 -7.147 1.371 1.00 0.00 N ATOM 741 CA ALA A 62 -14.400 -5.718 1.343 1.00 0.00 C ATOM 742 C ALA A 62 -13.094 -5.418 0.641 1.00 0.00 C ATOM 743 O ALA A 62 -12.249 -6.296 0.472 1.00 0.00 O ATOM 744 CB ALA A 62 -14.376 -5.163 2.757 1.00 0.00 C ATOM 0 H ALA A 62 -14.459 -7.593 2.264 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.201 -5.235 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.175 -4.092 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.341 -5.337 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.594 -5.661 3.330 1.00 0.00 H new ATOM 750 N GLU A 63 -12.939 -4.172 0.243 1.00 0.00 N ATOM 751 CA GLU A 63 -11.768 -3.743 -0.484 1.00 0.00 C ATOM 752 C GLU A 63 -11.261 -2.418 0.047 1.00 0.00 C ATOM 753 O GLU A 63 -12.028 -1.474 0.245 1.00 0.00 O ATOM 754 CB GLU A 63 -12.092 -3.641 -1.965 1.00 0.00 C ATOM 755 CG GLU A 63 -12.038 -4.980 -2.671 1.00 0.00 C ATOM 756 CD GLU A 63 -12.527 -4.913 -4.099 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.756 -4.862 -4.313 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.684 -4.917 -5.019 1.00 0.00 O ATOM 0 H GLU A 63 -13.620 -3.432 0.415 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.978 -4.481 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.086 -3.211 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.389 -2.956 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.012 -5.349 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.642 -5.700 -2.119 1.00 0.00 H new ATOM 765 N GLY A 64 -9.969 -2.364 0.280 1.00 0.00 N ATOM 766 CA GLY A 64 -9.348 -1.172 0.809 1.00 0.00 C ATOM 767 C GLY A 64 -8.115 -0.798 0.025 1.00 0.00 C ATOM 768 O GLY A 64 -7.567 -1.624 -0.706 1.00 0.00 O ATOM 0 H GLY A 64 -9.325 -3.137 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.060 -0.347 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.082 -1.332 1.854 1.00 0.00 H new ATOM 772 N TYR A 65 -7.670 0.436 0.170 1.00 0.00 N ATOM 773 CA TYR A 65 -6.523 0.911 -0.577 1.00 0.00 C ATOM 774 C TYR A 65 -5.717 1.913 0.242 1.00 0.00 C ATOM 775 O TYR A 65 -6.194 3.010 0.547 1.00 0.00 O ATOM 776 CB TYR A 65 -6.990 1.539 -1.892 1.00 0.00 C ATOM 777 CG TYR A 65 -5.866 2.032 -2.770 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.718 1.278 -2.952 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.954 3.255 -3.415 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.689 1.727 -3.750 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.931 3.710 -4.217 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.801 2.945 -4.380 1.00 0.00 C ATOM 783 OH TYR A 65 -2.782 3.399 -5.181 1.00 0.00 O ATOM 0 H TYR A 65 -8.085 1.125 0.797 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.873 0.065 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.575 0.805 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.655 2.373 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.628 0.321 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.839 3.861 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.800 1.127 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.016 4.664 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.022 4.275 -5.550 1.00 0.00 H new ATOM 793 N TRP A 66 -4.500 1.529 0.597 1.00 0.00 N ATOM 794 CA TRP A 66 -3.617 2.402 1.358 1.00 0.00 C ATOM 795 C TRP A 66 -2.423 2.797 0.507 1.00 0.00 C ATOM 796 O TRP A 66 -1.888 1.987 -0.251 1.00 0.00 O ATOM 797 CB TRP A 66 -3.123 1.742 2.657 1.00 0.00 C ATOM 798 CG TRP A 66 -4.192 1.491 3.680 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.420 2.218 4.813 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.159 0.434 3.683 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.471 1.685 5.514 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.941 0.589 4.843 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.444 -0.625 2.818 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -6.985 -0.274 5.157 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.480 -1.482 3.132 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.239 -1.302 4.292 1.00 0.00 C ATOM 0 H TRP A 66 -4.101 0.618 0.370 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.193 3.286 1.632 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.648 0.793 2.408 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.356 2.376 3.101 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.854 3.087 5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.842 2.047 6.393 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.864 -0.771 1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.574 -0.137 6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.708 -2.305 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.043 -1.989 4.510 1.00 0.00 H new ATOM 817 N VAL A 67 -2.028 4.046 0.626 1.00 0.00 N ATOM 818 CA VAL A 67 -0.874 4.562 -0.081 1.00 0.00 C ATOM 819 C VAL A 67 0.280 4.768 0.891 1.00 0.00 C ATOM 820 O VAL A 67 0.190 5.589 1.804 1.00 0.00 O ATOM 821 CB VAL A 67 -1.197 5.899 -0.786 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.071 6.576 -1.268 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.152 5.687 -1.953 1.00 0.00 C ATOM 0 H VAL A 67 -2.497 4.733 1.216 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.593 3.832 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.683 6.547 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.182 7.515 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.722 6.777 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.586 5.924 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.362 6.644 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.697 5.012 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.082 5.252 -1.587 1.00 0.00 H new ATOM 833 N ILE A 68 1.344 4.005 0.714 1.00 0.00 N ATOM 834 CA ILE A 68 2.536 4.172 1.524 1.00 0.00 C ATOM 835 C ILE A 68 3.476 5.153 0.835 1.00 0.00 C ATOM 836 O ILE A 68 4.191 4.798 -0.106 1.00 0.00 O ATOM 837 CB ILE A 68 3.282 2.835 1.791 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.387 1.817 2.517 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.540 3.086 2.613 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.378 1.121 1.629 1.00 0.00 C ATOM 0 H ILE A 68 1.406 3.264 0.016 1.00 0.00 H new ATOM 0 HA ILE A 68 2.218 4.555 2.494 1.00 0.00 H new ATOM 0 HB ILE A 68 3.555 2.416 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.021 1.064 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.854 2.328 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.052 2.141 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.202 3.760 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.267 3.537 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.791 0.422 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.715 1.862 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.900 0.578 0.841 1.00 0.00 H new ATOM 852 N ASN A 69 3.453 6.393 1.291 1.00 0.00 N ATOM 853 CA ASN A 69 4.259 7.442 0.691 1.00 0.00 C ATOM 854 C ASN A 69 5.639 7.473 1.326 1.00 0.00 C ATOM 855 O ASN A 69 5.829 8.024 2.412 1.00 0.00 O ATOM 856 CB ASN A 69 3.580 8.807 0.859 1.00 0.00 C ATOM 857 CG ASN A 69 4.260 9.914 0.063 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.471 9.887 -0.175 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.484 10.903 -0.347 1.00 0.00 N ATOM 0 H ASN A 69 2.882 6.699 2.079 1.00 0.00 H new ATOM 0 HA ASN A 69 4.360 7.229 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.539 8.729 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.576 9.077 1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.882 11.677 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.487 10.892 -0.132 1.00 0.00 H new ATOM 866 N ALA A 70 6.598 6.869 0.652 1.00 0.00 N ATOM 867 CA ALA A 70 7.980 6.931 1.084 1.00 0.00 C ATOM 868 C ALA A 70 8.736 7.954 0.253 1.00 0.00 C ATOM 869 O ALA A 70 9.883 8.279 0.545 1.00 0.00 O ATOM 870 CB ALA A 70 8.634 5.567 0.966 1.00 0.00 C ATOM 0 H ALA A 70 6.445 6.328 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 70 8.008 7.235 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.671 5.631 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.099 4.852 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.602 5.237 -0.072 1.00 0.00 H new ATOM 876 N LYS A 71 8.064 8.479 -0.768 1.00 0.00 N ATOM 877 CA LYS A 71 8.667 9.420 -1.704 1.00 0.00 C ATOM 878 C LYS A 71 9.180 10.656 -0.980 1.00 0.00 C ATOM 879 O LYS A 71 10.315 11.083 -1.185 1.00 0.00 O ATOM 880 CB LYS A 71 7.636 9.826 -2.757 1.00 0.00 C ATOM 881 CG LYS A 71 8.183 10.721 -3.858 1.00 0.00 C ATOM 882 CD LYS A 71 9.287 10.039 -4.653 1.00 0.00 C ATOM 883 CE LYS A 71 8.804 8.753 -5.302 1.00 0.00 C ATOM 884 NZ LYS A 71 7.838 8.997 -6.403 1.00 0.00 N ATOM 0 H LYS A 71 7.087 8.264 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 71 9.514 8.933 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.223 8.925 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.812 10.341 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.373 11.003 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.568 11.641 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.654 10.719 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.127 9.820 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.661 8.202 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.336 8.122 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.256 8.147 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.224 9.799 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.356 9.216 -7.278 1.00 0.00 H new ATOM 898 N GLU A 72 8.343 11.210 -0.116 1.00 0.00 N ATOM 899 CA GLU A 72 8.696 12.405 0.641 1.00 0.00 C ATOM 900 C GLU A 72 9.702 12.083 1.744 1.00 0.00 C ATOM 901 O GLU A 72 10.215 12.977 2.415 1.00 0.00 O ATOM 902 CB GLU A 72 7.441 13.023 1.251 1.00 0.00 C ATOM 903 CG GLU A 72 6.388 13.402 0.222 1.00 0.00 C ATOM 904 CD GLU A 72 6.856 14.481 -0.733 1.00 0.00 C ATOM 905 OE1 GLU A 72 6.677 15.677 -0.421 1.00 0.00 O ATOM 906 OE2 GLU A 72 7.386 14.138 -1.809 1.00 0.00 O ATOM 0 H GLU A 72 7.409 10.850 0.080 1.00 0.00 H new ATOM 0 HA GLU A 72 9.157 13.116 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.007 12.318 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.722 13.912 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.109 12.516 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.491 13.745 0.737 1.00 0.00 H new ATOM 913 N GLY A 73 9.982 10.800 1.920 1.00 0.00 N ATOM 914 CA GLY A 73 10.890 10.370 2.964 1.00 0.00 C ATOM 915 C GLY A 73 10.151 9.978 4.221 1.00 0.00 C ATOM 916 O GLY A 73 10.745 9.844 5.288 1.00 0.00 O ATOM 0 H GLY A 73 9.594 10.045 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.478 9.524 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.591 11.173 3.190 1.00 0.00 H new ATOM 920 N LYS A 74 8.847 9.800 4.090 1.00 0.00 N ATOM 921 CA LYS A 74 8.006 9.464 5.227 1.00 0.00 C ATOM 922 C LYS A 74 7.975 7.958 5.461 1.00 0.00 C ATOM 923 O LYS A 74 8.544 7.462 6.429 1.00 0.00 O ATOM 924 CB LYS A 74 6.580 9.974 4.998 1.00 0.00 C ATOM 925 CG LYS A 74 6.470 11.476 4.749 1.00 0.00 C ATOM 926 CD LYS A 74 6.387 12.287 6.041 1.00 0.00 C ATOM 927 CE LYS A 74 7.718 12.363 6.774 1.00 0.00 C ATOM 928 NZ LYS A 74 7.667 13.311 7.918 1.00 0.00 N ATOM 0 H LYS A 74 8.347 9.883 3.205 1.00 0.00 H new ATOM 0 HA LYS A 74 8.429 9.945 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.153 9.446 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.974 9.719 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.333 11.808 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.586 11.675 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.046 13.296 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.640 11.841 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.990 11.372 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.498 12.674 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.593 13.334 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.432 14.263 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.940 13.000 8.594 1.00 0.00 H new ATOM 942 N GLY A 75 7.331 7.233 4.561 1.00 0.00 N ATOM 943 CA GLY A 75 7.071 5.833 4.803 1.00 0.00 C ATOM 944 C GLY A 75 5.770 5.663 5.550 1.00 0.00 C ATOM 945 O GLY A 75 5.612 4.745 6.353 1.00 0.00 O ATOM 0 H GLY A 75 6.985 7.589 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.027 5.295 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.888 5.399 5.379 1.00 0.00 H new ATOM 949 N LYS A 76 4.839 6.570 5.279 1.00 0.00 N ATOM 950 CA LYS A 76 3.551 6.577 5.951 1.00 0.00 C ATOM 951 C LYS A 76 2.503 5.922 5.069 1.00 0.00 C ATOM 952 O LYS A 76 2.569 6.026 3.846 1.00 0.00 O ATOM 953 CB LYS A 76 3.114 8.011 6.270 1.00 0.00 C ATOM 954 CG LYS A 76 2.796 8.844 5.032 1.00 0.00 C ATOM 955 CD LYS A 76 2.212 10.205 5.385 1.00 0.00 C ATOM 956 CE LYS A 76 0.915 10.080 6.172 1.00 0.00 C ATOM 957 NZ LYS A 76 0.281 11.402 6.420 1.00 0.00 N ATOM 0 H LYS A 76 4.957 7.315 4.592 1.00 0.00 H new ATOM 0 HA LYS A 76 3.650 6.020 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.234 7.979 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.904 8.505 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.705 8.982 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.091 8.301 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.938 10.771 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.029 10.770 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.220 9.442 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.116 9.590 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.599 11.270 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.933 12.003 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.065 11.859 5.511 1.00 0.00 H new ATOM 971 N VAL A 77 1.536 5.257 5.675 1.00 0.00 N ATOM 972 CA VAL A 77 0.459 4.660 4.906 1.00 0.00 C ATOM 973 C VAL A 77 -0.822 5.467 5.121 1.00 0.00 C ATOM 974 O VAL A 77 -1.207 5.769 6.254 1.00 0.00 O ATOM 975 CB VAL A 77 0.249 3.152 5.246 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.507 2.547 5.852 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.941 2.917 6.161 1.00 0.00 C ATOM 0 H VAL A 77 1.474 5.118 6.684 1.00 0.00 H new ATOM 0 HA VAL A 77 0.733 4.693 3.851 1.00 0.00 H new ATOM 0 HB VAL A 77 0.034 2.652 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.332 1.495 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.330 2.633 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.761 3.079 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.039 1.851 6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.790 3.452 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.848 3.279 5.678 1.00 0.00 H new ATOM 987 N THR A 78 -1.442 5.875 4.030 1.00 0.00 N ATOM 988 CA THR A 78 -2.646 6.680 4.098 1.00 0.00 C ATOM 989 C THR A 78 -3.730 6.096 3.197 1.00 0.00 C ATOM 990 O THR A 78 -3.493 5.812 2.022 1.00 0.00 O ATOM 991 CB THR A 78 -2.354 8.156 3.724 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.561 8.931 3.741 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.691 8.266 2.355 1.00 0.00 C ATOM 0 H THR A 78 -1.130 5.661 3.083 1.00 0.00 H new ATOM 0 HA THR A 78 -3.007 6.664 5.126 1.00 0.00 H new ATOM 0 HB THR A 78 -1.665 8.550 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.357 9.860 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.501 9.315 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.748 7.720 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.350 7.842 1.597 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.906 5.882 3.766 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.028 5.317 3.028 1.00 0.00 C ATOM 1003 C TYR A 79 -6.507 6.306 1.972 1.00 0.00 C ATOM 1004 O TYR A 79 -6.864 7.442 2.297 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.168 4.962 3.988 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.301 4.191 3.348 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.205 2.820 3.152 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.469 4.830 2.945 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.235 2.107 2.573 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.505 4.123 2.366 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.383 2.762 2.182 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.412 2.051 1.607 1.00 0.00 O ATOM 0 H TYR A 79 -5.110 6.092 4.743 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.701 4.405 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.764 4.374 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.566 5.882 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.308 2.302 3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.567 5.896 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.142 1.041 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.406 4.634 2.059 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.149 2.660 1.390 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.501 5.862 0.715 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.828 6.719 -0.425 1.00 0.00 C ATOM 1024 C ASN A 80 -5.940 7.961 -0.414 1.00 0.00 C ATOM 1025 O ASN A 80 -6.385 9.066 -0.094 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.311 7.114 -0.413 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.712 7.906 -1.646 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.146 7.733 -2.724 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.693 8.783 -1.495 1.00 0.00 N ATOM 0 H ASN A 80 -6.270 4.902 0.459 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.642 6.159 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.923 6.214 -0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.519 7.706 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.003 9.343 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.138 8.898 -0.585 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.673 7.760 -0.747 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.701 8.833 -0.686 1.00 0.00 C ATOM 1038 C GLY A 81 -3.907 9.878 -1.762 1.00 0.00 C ATOM 1039 O GLY A 81 -3.777 11.075 -1.511 1.00 0.00 O ATOM 0 H GLY A 81 -4.298 6.865 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.756 9.311 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.699 8.414 -0.781 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.234 9.426 -2.960 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.390 10.331 -4.082 1.00 0.00 C ATOM 1045 C GLY A 82 -3.105 10.466 -4.874 1.00 0.00 C ATOM 1046 O GLY A 82 -3.120 10.857 -6.041 1.00 0.00 O ATOM 0 H GLY A 82 -4.396 8.443 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.184 9.968 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.699 11.311 -3.719 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.996 10.126 -4.231 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.684 10.174 -4.863 1.00 0.00 C ATOM 1052 C GLU A 83 -0.528 9.022 -5.842 1.00 0.00 C ATOM 1053 O GLU A 83 -1.095 7.949 -5.634 1.00 0.00 O ATOM 1054 CB GLU A 83 0.413 10.087 -3.801 1.00 0.00 C ATOM 1055 CG GLU A 83 0.347 11.186 -2.758 1.00 0.00 C ATOM 1056 CD GLU A 83 0.510 12.567 -3.358 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.633 12.906 -3.795 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.480 13.323 -3.392 1.00 0.00 O ATOM 0 H GLU A 83 -1.980 9.811 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.594 11.117 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.345 9.121 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.385 10.124 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.609 11.131 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.126 11.023 -2.013 1.00 0.00 H new ATOM 1065 N LYS A 84 0.228 9.246 -6.906 1.00 0.00 N ATOM 1066 CA LYS A 84 0.509 8.207 -7.878 1.00 0.00 C ATOM 1067 C LYS A 84 1.622 7.280 -7.381 1.00 0.00 C ATOM 1068 O LYS A 84 2.785 7.676 -7.279 1.00 0.00 O ATOM 1069 CB LYS A 84 0.857 8.821 -9.220 1.00 0.00 C ATOM 1070 CG LYS A 84 2.049 9.729 -9.200 1.00 0.00 C ATOM 1071 CD LYS A 84 2.245 10.322 -10.566 1.00 0.00 C ATOM 1072 CE LYS A 84 3.439 11.242 -10.622 1.00 0.00 C ATOM 1073 NZ LYS A 84 3.323 12.384 -9.676 1.00 0.00 N ATOM 0 H LYS A 84 0.660 10.146 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.387 7.600 -8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.039 8.019 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.004 9.382 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.905 10.521 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.938 9.174 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.372 9.520 -11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.350 10.874 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.341 10.675 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.552 11.625 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.067 13.081 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.390 12.831 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.430 12.039 -8.701 1.00 0.00 H new ATOM 1087 N PRO A 85 1.267 6.038 -7.031 1.00 0.00 N ATOM 1088 CA PRO A 85 2.224 5.049 -6.538 1.00 0.00 C ATOM 1089 C PRO A 85 3.211 4.609 -7.607 1.00 0.00 C ATOM 1090 O PRO A 85 2.837 4.355 -8.754 1.00 0.00 O ATOM 1091 CB PRO A 85 1.350 3.862 -6.115 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.039 4.393 -6.059 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.098 5.505 -7.061 1.00 0.00 C ATOM 0 HA PRO A 85 2.831 5.458 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.429 3.042 -6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.660 3.471 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.764 3.615 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.278 4.756 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.370 5.143 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.834 6.260 -6.785 1.00 0.00 H new ATOM 1101 N ASP A 86 4.475 4.523 -7.217 1.00 0.00 N ATOM 1102 CA ASP A 86 5.520 4.022 -8.094 1.00 0.00 C ATOM 1103 C ASP A 86 5.334 2.528 -8.312 1.00 0.00 C ATOM 1104 O ASP A 86 5.666 2.004 -9.372 1.00 0.00 O ATOM 1105 CB ASP A 86 6.909 4.298 -7.508 1.00 0.00 C ATOM 1106 CG ASP A 86 7.216 5.776 -7.402 1.00 0.00 C ATOM 1107 OD1 ASP A 86 7.729 6.353 -8.383 1.00 0.00 O ATOM 1108 OD2 ASP A 86 6.950 6.368 -6.335 1.00 0.00 O ATOM 0 H ASP A 86 4.802 4.797 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 86 5.446 4.541 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.978 3.845 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.664 3.818 -8.131 1.00 0.00 H new ATOM 1113 N VAL A 87 4.802 1.851 -7.298 1.00 0.00 N ATOM 1114 CA VAL A 87 4.430 0.446 -7.414 1.00 0.00 C ATOM 1115 C VAL A 87 3.120 0.175 -6.680 1.00 0.00 C ATOM 1116 O VAL A 87 2.960 0.539 -5.515 1.00 0.00 O ATOM 1117 CB VAL A 87 5.521 -0.516 -6.874 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.688 -0.642 -7.833 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.015 -0.084 -5.507 1.00 0.00 C ATOM 0 H VAL A 87 4.618 2.257 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 87 4.313 0.251 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 87 5.053 -1.496 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.429 -1.324 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.334 -1.030 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.142 0.337 -7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.778 -0.780 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.440 0.917 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.182 -0.078 -4.804 1.00 0.00 H new ATOM 1129 N THR A 88 2.174 -0.433 -7.378 1.00 0.00 N ATOM 1130 CA THR A 88 0.909 -0.827 -6.775 1.00 0.00 C ATOM 1131 C THR A 88 0.817 -2.346 -6.681 1.00 0.00 C ATOM 1132 O THR A 88 1.016 -3.046 -7.674 1.00 0.00 O ATOM 1133 CB THR A 88 -0.289 -0.299 -7.589 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.200 1.127 -7.717 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.615 -0.672 -6.932 1.00 0.00 C ATOM 0 H THR A 88 2.258 -0.666 -8.368 1.00 0.00 H new ATOM 0 HA THR A 88 0.873 -0.392 -5.776 1.00 0.00 H new ATOM 0 HB THR A 88 -0.255 -0.761 -8.576 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.963 1.457 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.439 -0.285 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.695 -1.757 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.659 -0.241 -5.932 1.00 0.00 H new ATOM 1143 N PHE A 89 0.528 -2.847 -5.489 1.00 0.00 N ATOM 1144 CA PHE A 89 0.364 -4.277 -5.276 1.00 0.00 C ATOM 1145 C PHE A 89 -1.079 -4.584 -4.911 1.00 0.00 C ATOM 1146 O PHE A 89 -1.601 -4.062 -3.926 1.00 0.00 O ATOM 1147 CB PHE A 89 1.284 -4.785 -4.158 1.00 0.00 C ATOM 1148 CG PHE A 89 2.747 -4.542 -4.396 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.345 -3.366 -3.975 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.525 -5.495 -5.033 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.692 -3.146 -4.185 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.872 -5.278 -5.248 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.455 -4.103 -4.824 1.00 0.00 C ATOM 0 H PHE A 89 0.402 -2.280 -4.650 1.00 0.00 H new ATOM 0 HA PHE A 89 0.631 -4.784 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.997 -4.305 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.123 -5.855 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.752 -2.613 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.073 -6.418 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.148 -2.226 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.468 -6.028 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.508 -3.931 -4.992 1.00 0.00 H new ATOM 1163 N THR A 90 -1.728 -5.405 -5.716 1.00 0.00 N ATOM 1164 CA THR A 90 -3.075 -5.853 -5.414 1.00 0.00 C ATOM 1165 C THR A 90 -3.011 -7.217 -4.736 1.00 0.00 C ATOM 1166 O THR A 90 -2.448 -8.162 -5.293 1.00 0.00 O ATOM 1167 CB THR A 90 -3.932 -5.942 -6.688 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.696 -4.787 -7.508 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.412 -6.031 -6.345 1.00 0.00 C ATOM 0 H THR A 90 -1.344 -5.776 -6.585 1.00 0.00 H new ATOM 0 HA THR A 90 -3.540 -5.127 -4.747 1.00 0.00 H new ATOM 0 HB THR A 90 -3.650 -6.845 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.241 -4.846 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.995 -6.093 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.592 -6.920 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.710 -5.144 -5.785 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.565 -7.308 -3.535 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.440 -8.506 -2.719 1.00 0.00 C ATOM 1179 C ILE A 91 -4.592 -8.607 -1.726 1.00 0.00 C ATOM 1180 O ILE A 91 -5.222 -7.611 -1.384 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.068 -8.512 -1.998 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.165 -9.560 -2.638 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.193 -8.765 -0.503 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.595 -10.986 -2.360 1.00 0.00 C ATOM 0 H ILE A 91 -4.109 -6.561 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.491 -9.382 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.630 -7.520 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.144 -9.400 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.147 -9.420 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.202 -8.759 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.804 -7.984 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.662 -9.735 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.906 -11.675 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.588 -11.165 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.601 -11.145 -2.748 1.00 0.00 H new ATOM 1196 N SER A 92 -4.874 -9.824 -1.294 1.00 0.00 N ATOM 1197 CA SER A 92 -5.976 -10.089 -0.391 1.00 0.00 C ATOM 1198 C SER A 92 -5.573 -9.846 1.065 1.00 0.00 C ATOM 1199 O SER A 92 -4.448 -10.136 1.470 1.00 0.00 O ATOM 1200 CB SER A 92 -6.424 -11.533 -0.586 1.00 0.00 C ATOM 1201 OG SER A 92 -6.622 -11.804 -1.963 1.00 0.00 O ATOM 0 H SER A 92 -4.345 -10.654 -1.560 1.00 0.00 H new ATOM 0 HA SER A 92 -6.797 -9.408 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.675 -12.212 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.348 -11.712 -0.036 1.00 0.00 H new ATOM 0 HG SER A 92 -7.195 -12.593 -2.062 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.527 -9.316 1.834 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.372 -9.036 3.269 1.00 0.00 C ATOM 1209 C ASP A 93 -5.911 -10.278 4.018 1.00 0.00 C ATOM 1210 O ASP A 93 -5.242 -10.196 5.048 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.726 -8.567 3.827 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.699 -8.218 5.305 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.186 -7.140 5.660 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.231 -9.007 6.115 1.00 0.00 O ATOM 0 H ASP A 93 -7.447 -9.064 1.473 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.617 -8.261 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.056 -7.694 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.466 -9.351 3.663 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.272 -11.421 3.467 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.962 -12.711 4.057 1.00 0.00 C ATOM 1221 C GLU A 94 -4.502 -13.075 3.805 1.00 0.00 C ATOM 1222 O GLU A 94 -3.828 -13.628 4.671 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.871 -13.781 3.446 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.267 -13.275 3.105 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.143 -14.352 2.505 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.121 -14.518 1.266 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.862 -15.036 3.265 1.00 0.00 O ATOM 0 H GLU A 94 -6.792 -11.482 2.592 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.128 -12.657 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.403 -14.169 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.956 -14.614 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.740 -12.887 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.188 -12.444 2.405 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.021 -12.739 2.616 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.685 -13.135 2.181 1.00 0.00 C ATOM 1236 C ASP A 95 -1.642 -12.093 2.546 1.00 0.00 C ATOM 1237 O ASP A 95 -0.453 -12.402 2.638 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.665 -13.368 0.671 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.582 -14.497 0.253 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.769 -14.230 -0.029 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -3.123 -15.656 0.207 1.00 0.00 O ATOM 0 H ASP A 95 -4.539 -12.189 1.930 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.437 -14.061 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.963 -12.452 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.647 -13.593 0.354 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.087 -10.857 2.754 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.178 -9.761 3.071 1.00 0.00 C ATOM 1248 C VAL A 96 -0.367 -10.088 4.321 1.00 0.00 C ATOM 1249 O VAL A 96 0.791 -9.701 4.445 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.939 -8.423 3.295 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.079 -8.103 4.777 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.261 -7.267 2.576 1.00 0.00 C ATOM 0 H VAL A 96 -3.070 -10.590 2.709 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.513 -9.640 2.216 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.936 -8.553 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.615 -7.162 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.633 -8.902 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.089 -8.016 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.820 -6.349 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.244 -7.151 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.232 -7.471 1.506 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.985 -10.830 5.232 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.400 -11.082 6.535 1.00 0.00 C ATOM 1264 C VAL A 97 0.824 -11.977 6.412 1.00 0.00 C ATOM 1265 O VAL A 97 1.789 -11.830 7.159 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.433 -11.705 7.501 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.726 -10.906 7.465 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.704 -13.167 7.171 1.00 0.00 C ATOM 0 H VAL A 97 -1.895 -11.268 5.087 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.087 -10.124 6.950 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.015 -11.669 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.448 -11.352 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.527 -9.878 7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.131 -10.915 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.435 -13.569 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.094 -13.245 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.777 -13.735 7.248 1.00 0.00 H new ATOM 1278 N ASP A 98 0.798 -12.877 5.439 1.00 0.00 N ATOM 1279 CA ASP A 98 1.926 -13.744 5.195 1.00 0.00 C ATOM 1280 C ASP A 98 2.994 -12.964 4.455 1.00 0.00 C ATOM 1281 O ASP A 98 4.183 -13.144 4.692 1.00 0.00 O ATOM 1282 CB ASP A 98 1.521 -14.972 4.376 1.00 0.00 C ATOM 1283 CG ASP A 98 0.432 -15.800 5.025 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.715 -16.470 6.040 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.710 -15.798 4.516 1.00 0.00 O ATOM 0 H ASP A 98 0.007 -13.020 4.811 1.00 0.00 H new ATOM 0 HA ASP A 98 2.309 -14.095 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.182 -14.647 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.398 -15.599 4.219 1.00 0.00 H new ATOM 1290 N LEU A 99 2.554 -12.075 3.578 1.00 0.00 N ATOM 1291 CA LEU A 99 3.468 -11.257 2.786 1.00 0.00 C ATOM 1292 C LEU A 99 4.248 -10.302 3.678 1.00 0.00 C ATOM 1293 O LEU A 99 5.473 -10.211 3.591 1.00 0.00 O ATOM 1294 CB LEU A 99 2.693 -10.461 1.733 1.00 0.00 C ATOM 1295 CG LEU A 99 2.106 -11.289 0.592 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.249 -10.419 -0.305 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.211 -11.941 -0.220 1.00 0.00 C ATOM 0 H LEU A 99 1.566 -11.899 3.394 1.00 0.00 H new ATOM 0 HA LEU A 99 4.171 -11.923 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.881 -9.928 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.357 -9.708 1.309 1.00 0.00 H new ATOM 0 HG LEU A 99 1.483 -12.072 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.838 -11.024 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.434 -9.988 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.858 -9.618 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.772 -12.526 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.857 -11.170 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.798 -12.595 0.424 1.00 0.00 H new ATOM 1309 N ILE A 100 3.527 -9.608 4.546 1.00 0.00 N ATOM 1310 CA ILE A 100 4.127 -8.619 5.427 1.00 0.00 C ATOM 1311 C ILE A 100 4.980 -9.289 6.509 1.00 0.00 C ATOM 1312 O ILE A 100 5.976 -8.729 6.969 1.00 0.00 O ATOM 1313 CB ILE A 100 3.038 -7.724 6.066 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.220 -7.043 4.960 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.657 -6.694 7.003 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.220 -6.024 5.458 1.00 0.00 C ATOM 0 H ILE A 100 2.519 -9.713 4.659 1.00 0.00 H new ATOM 0 HA ILE A 100 4.782 -7.988 4.826 1.00 0.00 H new ATOM 0 HB ILE A 100 2.373 -8.348 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.905 -6.553 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.689 -7.809 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.870 -6.079 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.199 -7.205 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.345 -6.060 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.687 -5.593 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.508 -6.509 6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.743 -5.234 5.997 1.00 0.00 H new ATOM 1328 N SER A 101 4.603 -10.501 6.894 1.00 0.00 N ATOM 1329 CA SER A 101 5.358 -11.241 7.894 1.00 0.00 C ATOM 1330 C SER A 101 6.616 -11.859 7.280 1.00 0.00 C ATOM 1331 O SER A 101 7.633 -12.006 7.954 1.00 0.00 O ATOM 1332 CB SER A 101 4.488 -12.335 8.526 1.00 0.00 C ATOM 1333 OG SER A 101 5.173 -13.011 9.570 1.00 0.00 O ATOM 0 H SER A 101 3.784 -10.989 6.531 1.00 0.00 H new ATOM 0 HA SER A 101 5.662 -10.541 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.573 -11.891 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.192 -13.052 7.761 1.00 0.00 H new ATOM 0 HG SER A 101 4.590 -13.700 9.951 1.00 0.00 H new ATOM 1339 N GLY A 102 6.547 -12.191 5.997 1.00 0.00 N ATOM 1340 CA GLY A 102 7.663 -12.854 5.340 1.00 0.00 C ATOM 1341 C GLY A 102 7.411 -14.339 5.171 1.00 0.00 C ATOM 1342 O GLY A 102 8.315 -15.105 4.837 1.00 0.00 O ATOM 0 H GLY A 102 5.740 -12.014 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.832 -12.400 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.571 -12.703 5.924 1.00 0.00 H new ATOM 1346 N LYS A 103 6.168 -14.735 5.404 1.00 0.00 N ATOM 1347 CA LYS A 103 5.756 -16.126 5.300 1.00 0.00 C ATOM 1348 C LYS A 103 5.424 -16.484 3.864 1.00 0.00 C ATOM 1349 O LYS A 103 5.764 -17.563 3.384 1.00 0.00 O ATOM 1350 CB LYS A 103 4.524 -16.364 6.164 1.00 0.00 C ATOM 1351 CG LYS A 103 4.806 -16.348 7.658 1.00 0.00 C ATOM 1352 CD LYS A 103 3.524 -16.437 8.468 1.00 0.00 C ATOM 1353 CE LYS A 103 2.799 -17.746 8.222 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.577 -18.915 8.710 1.00 0.00 N ATOM 0 H LYS A 103 5.416 -14.099 5.671 1.00 0.00 H new ATOM 0 HA LYS A 103 6.581 -16.751 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.780 -15.601 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.086 -17.326 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.459 -17.182 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.340 -15.434 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.756 -16.342 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.870 -15.604 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.830 -17.722 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.607 -17.859 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.975 -19.763 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.402 -19.064 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.899 -18.736 9.683 1.00 0.00 H new ATOM 1368 N LEU A 104 4.743 -15.577 3.189 1.00 0.00 N ATOM 1369 CA LEU A 104 4.367 -15.782 1.804 1.00 0.00 C ATOM 1370 C LEU A 104 5.279 -14.982 0.896 1.00 0.00 C ATOM 1371 O LEU A 104 5.425 -13.771 1.054 1.00 0.00 O ATOM 1372 CB LEU A 104 2.901 -15.387 1.604 1.00 0.00 C ATOM 1373 CG LEU A 104 2.383 -15.367 0.160 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.549 -16.724 -0.500 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.922 -14.940 0.129 1.00 0.00 C ATOM 0 H LEU A 104 4.438 -14.686 3.581 1.00 0.00 H new ATOM 0 HA LEU A 104 4.476 -16.836 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.282 -16.076 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.755 -14.395 2.032 1.00 0.00 H new ATOM 0 HG LEU A 104 2.975 -14.644 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.173 -16.680 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.605 -16.996 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.988 -17.472 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.568 -14.930 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.325 -15.642 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.826 -13.941 0.555 1.00 0.00 H new ATOM 1387 N ASN A 105 5.914 -15.676 -0.030 1.00 0.00 N ATOM 1388 CA ASN A 105 6.799 -15.045 -0.991 1.00 0.00 C ATOM 1389 C ASN A 105 5.992 -14.279 -2.027 1.00 0.00 C ATOM 1390 O ASN A 105 5.201 -14.871 -2.763 1.00 0.00 O ATOM 1391 CB ASN A 105 7.661 -16.102 -1.689 1.00 0.00 C ATOM 1392 CG ASN A 105 8.769 -16.645 -0.809 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.664 -16.665 0.417 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.837 -17.107 -1.432 1.00 0.00 N ATOM 0 H ASN A 105 5.832 -16.687 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 105 7.447 -14.349 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.024 -16.926 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.099 -15.668 -2.588 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.611 -17.498 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.888 -17.073 -2.450 1.00 0.00 H new ATOM 1401 N PRO A 106 6.175 -12.951 -2.102 1.00 0.00 N ATOM 1402 CA PRO A 106 5.501 -12.134 -3.102 1.00 0.00 C ATOM 1403 C PRO A 106 5.868 -12.575 -4.512 1.00 0.00 C ATOM 1404 O PRO A 106 5.139 -12.315 -5.460 1.00 0.00 O ATOM 1405 CB PRO A 106 5.973 -10.701 -2.845 1.00 0.00 C ATOM 1406 CG PRO A 106 6.794 -10.728 -1.597 1.00 0.00 C ATOM 1407 CD PRO A 106 7.042 -12.165 -1.215 1.00 0.00 C ATOM 0 HA PRO A 106 4.418 -12.226 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.561 -10.332 -3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.122 -10.029 -2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.740 -10.210 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.276 -10.207 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.090 -12.433 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.799 -12.342 -0.167 1.00 0.00 H new ATOM 1415 N GLN A 107 7.010 -13.240 -4.631 1.00 0.00 N ATOM 1416 CA GLN A 107 7.437 -13.838 -5.881 1.00 0.00 C ATOM 1417 C GLN A 107 6.487 -14.944 -6.308 1.00 0.00 C ATOM 1418 O GLN A 107 5.951 -14.919 -7.414 1.00 0.00 O ATOM 1419 CB GLN A 107 8.827 -14.422 -5.711 1.00 0.00 C ATOM 1420 CG GLN A 107 9.609 -14.496 -6.995 1.00 0.00 C ATOM 1421 CD GLN A 107 11.035 -14.982 -6.806 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.930 -14.615 -7.566 1.00 0.00 O ATOM 1423 NE2 GLN A 107 11.258 -15.813 -5.802 1.00 0.00 N ATOM 0 H GLN A 107 7.664 -13.378 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 107 7.441 -13.063 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.381 -13.818 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.743 -15.423 -5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.095 -15.163 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.628 -13.509 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.490 -16.095 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.198 -16.172 -5.637 1.00 0.00 H new ATOM 1432 N LYS A 108 6.279 -15.918 -5.428 1.00 0.00 N ATOM 1433 CA LYS A 108 5.392 -17.025 -5.741 1.00 0.00 C ATOM 1434 C LYS A 108 3.968 -16.513 -5.853 1.00 0.00 C ATOM 1435 O LYS A 108 3.178 -17.028 -6.633 1.00 0.00 O ATOM 1436 CB LYS A 108 5.474 -18.147 -4.697 1.00 0.00 C ATOM 1437 CG LYS A 108 4.727 -17.868 -3.401 1.00 0.00 C ATOM 1438 CD LYS A 108 3.813 -19.024 -3.020 1.00 0.00 C ATOM 1439 CE LYS A 108 2.453 -18.921 -3.698 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.623 -20.130 -3.451 1.00 0.00 N ATOM 0 H LYS A 108 6.708 -15.961 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 108 5.710 -17.452 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.080 -19.063 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.523 -18.331 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.443 -17.690 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.137 -16.958 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.286 -19.967 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.679 -19.039 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.929 -18.039 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.590 -18.787 -4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.705 -20.024 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.112 -20.969 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.471 -20.244 -2.428 1.00 0.00 H new ATOM 1454 N ALA A 109 3.652 -15.479 -5.084 1.00 0.00 N ATOM 1455 CA ALA A 109 2.327 -14.883 -5.147 1.00 0.00 C ATOM 1456 C ALA A 109 2.154 -14.139 -6.465 1.00 0.00 C ATOM 1457 O ALA A 109 1.058 -14.078 -7.021 1.00 0.00 O ATOM 1458 CB ALA A 109 2.095 -13.954 -3.968 1.00 0.00 C ATOM 0 H ALA A 109 4.288 -15.041 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 109 1.584 -15.679 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.097 -13.520 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.182 -14.517 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.839 -13.157 -3.981 1.00 0.00 H new ATOM 1464 N PHE A 110 3.255 -13.582 -6.956 1.00 0.00 N ATOM 1465 CA PHE A 110 3.290 -12.927 -8.254 1.00 0.00 C ATOM 1466 C PHE A 110 3.055 -13.964 -9.350 1.00 0.00 C ATOM 1467 O PHE A 110 2.249 -13.766 -10.260 1.00 0.00 O ATOM 1468 CB PHE A 110 4.653 -12.241 -8.443 1.00 0.00 C ATOM 1469 CG PHE A 110 4.837 -11.506 -9.744 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.381 -10.207 -9.892 1.00 0.00 C ATOM 1471 CD2 PHE A 110 5.495 -12.106 -10.806 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.574 -9.520 -11.077 1.00 0.00 C ATOM 1473 CE2 PHE A 110 5.688 -11.425 -11.993 1.00 0.00 C ATOM 1474 CZ PHE A 110 5.227 -10.130 -12.129 1.00 0.00 C ATOM 0 H PHE A 110 4.148 -13.573 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 110 2.507 -12.171 -8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.802 -11.537 -7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.434 -12.996 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.869 -9.725 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.861 -13.117 -10.705 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.214 -8.507 -11.179 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.199 -11.905 -12.814 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.377 -9.596 -13.056 1.00 0.00 H new ATOM 1484 N PHE A 111 3.764 -15.080 -9.228 1.00 0.00 N ATOM 1485 CA PHE A 111 3.646 -16.195 -10.160 1.00 0.00 C ATOM 1486 C PHE A 111 2.241 -16.796 -10.128 1.00 0.00 C ATOM 1487 O PHE A 111 1.649 -17.073 -11.171 1.00 0.00 O ATOM 1488 CB PHE A 111 4.686 -17.265 -9.806 1.00 0.00 C ATOM 1489 CG PHE A 111 4.632 -18.495 -10.670 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.300 -18.535 -11.881 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.917 -19.613 -10.265 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.256 -19.665 -12.675 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.870 -20.746 -11.054 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.540 -20.772 -12.260 1.00 0.00 C ATOM 0 H PHE A 111 4.438 -15.238 -8.479 1.00 0.00 H new ATOM 0 HA PHE A 111 3.827 -15.826 -11.169 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.681 -16.826 -9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.546 -17.560 -8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.862 -17.673 -12.209 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.391 -19.597 -9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.781 -19.683 -13.619 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.310 -21.610 -10.728 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.505 -21.656 -12.879 1.00 0.00 H new ATOM 1504 N GLN A 112 1.711 -16.987 -8.927 1.00 0.00 N ATOM 1505 CA GLN A 112 0.414 -17.619 -8.747 1.00 0.00 C ATOM 1506 C GLN A 112 -0.739 -16.651 -9.002 1.00 0.00 C ATOM 1507 O GLN A 112 -1.904 -17.008 -8.842 1.00 0.00 O ATOM 1508 CB GLN A 112 0.328 -18.215 -7.342 1.00 0.00 C ATOM 1509 CG GLN A 112 1.247 -19.412 -7.137 1.00 0.00 C ATOM 1510 CD GLN A 112 0.868 -20.612 -7.991 1.00 0.00 C ATOM 1511 OE1 GLN A 112 0.324 -20.474 -9.088 1.00 0.00 O ATOM 1512 NE2 GLN A 112 1.156 -21.798 -7.492 1.00 0.00 N ATOM 0 H GLN A 112 2.165 -16.710 -8.057 1.00 0.00 H new ATOM 0 HA GLN A 112 0.319 -18.416 -9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.578 -17.445 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.701 -18.518 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.271 -19.119 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.227 -19.701 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.607 -21.872 -6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.928 -22.642 -8.018 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.412 -15.424 -9.385 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.429 -14.485 -9.820 1.00 0.00 C ATOM 1523 C GLY A 113 -2.166 -13.811 -8.680 1.00 0.00 C ATOM 1524 O GLY A 113 -3.138 -13.093 -8.907 1.00 0.00 O ATOM 0 H GLY A 113 0.541 -15.061 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.963 -13.720 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.150 -15.009 -10.447 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.719 -14.040 -7.456 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.326 -13.403 -6.298 1.00 0.00 C ATOM 1530 C LYS A 114 -1.840 -11.975 -6.154 1.00 0.00 C ATOM 1531 O LYS A 114 -2.599 -11.081 -5.779 1.00 0.00 O ATOM 1532 CB LYS A 114 -2.022 -14.186 -5.023 1.00 0.00 C ATOM 1533 CG LYS A 114 -3.115 -15.168 -4.653 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.619 -14.924 -3.250 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.430 -13.644 -3.194 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.742 -13.784 -3.875 1.00 0.00 N ATOM 0 H LYS A 114 -0.940 -14.661 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.405 -13.393 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.084 -14.727 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.877 -13.486 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.941 -15.080 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.735 -16.186 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.232 -15.765 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.777 -14.859 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.590 -13.362 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.865 -12.837 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.324 -12.944 -3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.593 -13.876 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.229 -14.631 -3.519 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.570 -11.775 -6.451 1.00 0.00 N ATOM 1551 CA ILE A 115 0.032 -10.462 -6.388 1.00 0.00 C ATOM 1552 C ILE A 115 -0.039 -9.790 -7.758 1.00 0.00 C ATOM 1553 O ILE A 115 0.479 -10.306 -8.755 1.00 0.00 O ATOM 1554 CB ILE A 115 1.487 -10.552 -5.846 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.571 -9.932 -4.464 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.479 -9.849 -6.736 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.756 -10.401 -3.673 1.00 0.00 C ATOM 0 H ILE A 115 0.068 -12.516 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.527 -9.840 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 115 1.739 -11.612 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.615 -8.847 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.660 -10.165 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.479 -9.942 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.462 -10.301 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.215 -8.794 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.755 -9.919 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.703 -11.482 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.673 -10.144 -4.204 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.756 -8.677 -7.812 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.859 -7.897 -9.034 1.00 0.00 C ATOM 1571 C LYS A 116 -0.085 -6.601 -8.857 1.00 0.00 C ATOM 1572 O LYS A 116 -0.574 -5.658 -8.232 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.325 -7.577 -9.368 1.00 0.00 C ATOM 1574 CG LYS A 116 -3.302 -8.712 -9.082 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.998 -9.951 -9.903 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.248 -9.728 -11.386 1.00 0.00 C ATOM 1577 NZ LYS A 116 -2.993 -10.959 -12.180 1.00 0.00 N ATOM 0 H LYS A 116 -1.275 -8.294 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.444 -8.480 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.631 -6.699 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.394 -7.312 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.265 -8.963 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.317 -8.377 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.958 -10.241 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.614 -10.779 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.278 -9.405 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.606 -8.924 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.174 -10.767 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.003 -11.253 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.623 -11.719 -11.854 1.00 0.00 H new ATOM 1591 N ILE A 117 1.129 -6.570 -9.376 1.00 0.00 N ATOM 1592 CA ILE A 117 1.992 -5.416 -9.243 1.00 0.00 C ATOM 1593 C ILE A 117 2.429 -4.915 -10.614 1.00 0.00 C ATOM 1594 O ILE A 117 2.782 -5.700 -11.495 1.00 0.00 O ATOM 1595 CB ILE A 117 3.209 -5.753 -8.346 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.440 -4.926 -8.702 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.539 -7.228 -8.410 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.373 -3.483 -8.247 1.00 0.00 C ATOM 0 H ILE A 117 1.541 -7.342 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 117 1.435 -4.613 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 117 2.923 -5.496 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.319 -5.394 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.578 -4.948 -9.783 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.397 -7.437 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.682 -7.808 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.776 -7.504 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.287 -2.966 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.516 -2.995 -8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.268 -3.448 -7.163 1.00 0.00 H new ATOM 1610 N GLN A 118 2.394 -3.604 -10.779 1.00 0.00 N ATOM 1611 CA GLN A 118 2.682 -2.969 -12.042 1.00 0.00 C ATOM 1612 C GLN A 118 3.341 -1.627 -11.762 1.00 0.00 C ATOM 1613 O GLN A 118 2.685 -0.584 -11.746 1.00 0.00 O ATOM 1614 CB GLN A 118 1.381 -2.794 -12.820 1.00 0.00 C ATOM 1615 CG GLN A 118 1.555 -2.181 -14.194 1.00 0.00 C ATOM 1616 CD GLN A 118 2.389 -3.039 -15.127 1.00 0.00 C ATOM 1617 OE1 GLN A 118 3.067 -2.525 -16.014 1.00 0.00 O ATOM 1618 NE2 GLN A 118 2.345 -4.350 -14.939 1.00 0.00 N ATOM 0 H GLN A 118 2.163 -2.950 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 118 3.358 -3.577 -12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.901 -3.767 -12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.705 -2.168 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.574 -2.018 -14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.025 -1.203 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.770 -4.739 -14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.886 -4.970 -15.542 1.00 0.00 H new ATOM 1627 N GLY A 119 4.634 -1.668 -11.507 1.00 0.00 N ATOM 1628 CA GLY A 119 5.315 -0.503 -11.002 1.00 0.00 C ATOM 1629 C GLY A 119 6.790 -0.481 -11.325 1.00 0.00 C ATOM 1630 O GLY A 119 7.336 -1.455 -11.846 1.00 0.00 O ATOM 0 H GLY A 119 5.225 -2.489 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.847 0.390 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.187 -0.457 -9.920 1.00 0.00 H new ATOM 1634 N ASN A 120 7.412 0.653 -11.024 1.00 0.00 N ATOM 1635 CA ASN A 120 8.833 0.885 -11.279 1.00 0.00 C ATOM 1636 C ASN A 120 9.682 -0.250 -10.703 1.00 0.00 C ATOM 1637 O ASN A 120 9.771 -0.421 -9.483 1.00 0.00 O ATOM 1638 CB ASN A 120 9.248 2.223 -10.654 1.00 0.00 C ATOM 1639 CG ASN A 120 10.639 2.682 -11.058 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.527 1.877 -11.340 1.00 0.00 O ATOM 1641 ND2 ASN A 120 10.837 3.990 -11.083 1.00 0.00 N ATOM 0 H ASN A 120 6.941 1.447 -10.591 1.00 0.00 H new ATOM 0 HA ASN A 120 8.997 0.917 -12.356 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.526 2.987 -10.941 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.205 2.135 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.750 4.363 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.076 4.626 -10.843 1.00 0.00 H new ATOM 1648 N MET A 121 10.306 -1.014 -11.592 1.00 0.00 N ATOM 1649 CA MET A 121 11.089 -2.177 -11.199 1.00 0.00 C ATOM 1650 C MET A 121 12.322 -1.755 -10.405 1.00 0.00 C ATOM 1651 O MET A 121 12.769 -2.467 -9.509 1.00 0.00 O ATOM 1652 CB MET A 121 11.487 -2.976 -12.448 1.00 0.00 C ATOM 1653 CG MET A 121 12.043 -4.362 -12.157 1.00 0.00 C ATOM 1654 SD MET A 121 13.779 -4.349 -11.665 1.00 0.00 S ATOM 1655 CE MET A 121 14.033 -6.082 -11.293 1.00 0.00 C ATOM 0 H MET A 121 10.283 -0.846 -12.598 1.00 0.00 H new ATOM 0 HA MET A 121 10.482 -2.813 -10.554 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.614 -3.076 -13.094 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.232 -2.408 -13.005 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.452 -4.824 -11.366 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.929 -4.985 -13.044 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.063 -6.238 -10.973 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.355 -6.386 -10.496 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.836 -6.678 -12.184 1.00 0.00 H new ATOM 1665 N GLY A 122 12.833 -0.563 -10.697 1.00 0.00 N ATOM 1666 CA GLY A 122 14.019 -0.076 -10.018 1.00 0.00 C ATOM 1667 C GLY A 122 13.730 0.271 -8.574 1.00 0.00 C ATOM 1668 O GLY A 122 14.639 0.465 -7.772 1.00 0.00 O ATOM 0 H GLY A 122 12.446 0.075 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.801 -0.834 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.400 0.805 -10.535 1.00 0.00 H new ATOM 1672 N LEU A 123 12.451 0.361 -8.255 1.00 0.00 N ATOM 1673 CA LEU A 123 12.006 0.613 -6.900 1.00 0.00 C ATOM 1674 C LEU A 123 11.752 -0.712 -6.198 1.00 0.00 C ATOM 1675 O LEU A 123 12.273 -0.983 -5.116 1.00 0.00 O ATOM 1676 CB LEU A 123 10.719 1.432 -6.925 1.00 0.00 C ATOM 1677 CG LEU A 123 10.386 2.164 -5.625 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.986 3.559 -5.635 1.00 0.00 C ATOM 1679 CD2 LEU A 123 8.885 2.218 -5.420 1.00 0.00 C ATOM 0 H LEU A 123 11.693 0.261 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 123 12.775 1.169 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.790 2.166 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.890 0.769 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 123 10.822 1.615 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.740 4.067 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 123 12.069 3.489 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.580 4.124 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.663 2.742 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.423 2.747 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.488 1.204 -5.368 1.00 0.00 H new ATOM 1691 N ALA A 124 10.969 -1.556 -6.863 1.00 0.00 N ATOM 1692 CA ALA A 124 10.525 -2.817 -6.295 1.00 0.00 C ATOM 1693 C ALA A 124 11.676 -3.814 -6.194 1.00 0.00 C ATOM 1694 O ALA A 124 11.561 -4.844 -5.528 1.00 0.00 O ATOM 1695 CB ALA A 124 9.384 -3.394 -7.116 1.00 0.00 C ATOM 0 H ALA A 124 10.627 -1.382 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 124 10.164 -2.624 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.062 -4.339 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.549 -2.693 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.721 -3.564 -8.138 1.00 0.00 H new ATOM 1701 N MET A 125 12.794 -3.500 -6.848 1.00 0.00 N ATOM 1702 CA MET A 125 13.993 -4.325 -6.753 1.00 0.00 C ATOM 1703 C MET A 125 14.500 -4.374 -5.314 1.00 0.00 C ATOM 1704 O MET A 125 15.185 -5.317 -4.918 1.00 0.00 O ATOM 1705 CB MET A 125 15.097 -3.818 -7.671 1.00 0.00 C ATOM 1706 CG MET A 125 15.573 -2.449 -7.283 1.00 0.00 C ATOM 1707 SD MET A 125 16.958 -1.861 -8.278 1.00 0.00 S ATOM 1708 CE MET A 125 18.246 -2.998 -7.769 1.00 0.00 C ATOM 0 H MET A 125 12.892 -2.681 -7.448 1.00 0.00 H new ATOM 0 HA MET A 125 13.720 -5.331 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.936 -4.513 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 125 14.732 -3.796 -8.698 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.745 -1.746 -7.375 1.00 0.00 H new ATOM 0 HG3 MET A 125 15.868 -2.459 -6.234 1.00 0.00 H new ATOM 0 HE1 MET A 125 19.221 -2.579 -8.018 1.00 0.00 H new ATOM 0 HE2 MET A 125 18.185 -3.159 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 125 18.117 -3.949 -8.286 1.00 0.00 H new ATOM 1718 N LYS A 126 14.153 -3.356 -4.530 1.00 0.00 N ATOM 1719 CA LYS A 126 14.523 -3.321 -3.133 1.00 0.00 C ATOM 1720 C LYS A 126 13.531 -4.121 -2.295 1.00 0.00 C ATOM 1721 O LYS A 126 13.839 -4.545 -1.182 1.00 0.00 O ATOM 1722 CB LYS A 126 14.576 -1.878 -2.655 1.00 0.00 C ATOM 1723 CG LYS A 126 15.913 -1.188 -2.892 1.00 0.00 C ATOM 1724 CD LYS A 126 17.033 -1.844 -2.096 1.00 0.00 C ATOM 1725 CE LYS A 126 18.324 -1.045 -2.190 1.00 0.00 C ATOM 1726 NZ LYS A 126 19.450 -1.710 -1.479 1.00 0.00 N ATOM 0 H LYS A 126 13.616 -2.548 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 126 15.508 -3.773 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.793 -1.311 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 126 14.351 -1.852 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.155 -1.218 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.835 -0.137 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.734 -1.934 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.201 -2.855 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.589 -0.908 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.166 -0.052 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 20.309 -1.130 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 19.210 -1.818 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.619 -2.647 -1.897 1.00 0.00 H new ATOM 1740 N LEU A 127 12.346 -4.336 -2.850 1.00 0.00 N ATOM 1741 CA LEU A 127 11.299 -5.078 -2.163 1.00 0.00 C ATOM 1742 C LEU A 127 11.504 -6.573 -2.364 1.00 0.00 C ATOM 1743 O LEU A 127 11.362 -7.364 -1.431 1.00 0.00 O ATOM 1744 CB LEU A 127 9.922 -4.664 -2.687 1.00 0.00 C ATOM 1745 CG LEU A 127 9.635 -3.161 -2.651 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.263 -2.871 -3.229 1.00 0.00 C ATOM 1747 CD2 LEU A 127 9.741 -2.624 -1.230 1.00 0.00 C ATOM 0 H LEU A 127 12.085 -4.005 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 127 11.351 -4.851 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 127 9.823 -5.012 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.159 -5.177 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 127 10.383 -2.655 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.074 -1.798 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.223 -3.215 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.504 -3.391 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.533 -1.554 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.019 -3.135 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.747 -2.798 -0.849 1.00 0.00 H new ATOM 1759 N THR A 128 11.859 -6.952 -3.588 1.00 0.00 N ATOM 1760 CA THR A 128 12.145 -8.343 -3.904 1.00 0.00 C ATOM 1761 C THR A 128 13.407 -8.795 -3.174 1.00 0.00 C ATOM 1762 O THR A 128 13.622 -9.982 -2.945 1.00 0.00 O ATOM 1763 CB THR A 128 12.303 -8.558 -5.426 1.00 0.00 C ATOM 1764 OG1 THR A 128 12.399 -9.957 -5.724 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.532 -7.844 -5.967 1.00 0.00 C ATOM 0 H THR A 128 11.955 -6.312 -4.377 1.00 0.00 H new ATOM 0 HA THR A 128 11.299 -8.944 -3.570 1.00 0.00 H new ATOM 0 HB THR A 128 11.420 -8.138 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.497 -10.079 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.611 -8.018 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 128 13.444 -6.774 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.424 -8.228 -5.471 1.00 0.00 H new ATOM 1773 N ASP A 129 14.230 -7.828 -2.804 1.00 0.00 N ATOM 1774 CA ASP A 129 15.425 -8.089 -2.012 1.00 0.00 C ATOM 1775 C ASP A 129 15.059 -8.731 -0.681 1.00 0.00 C ATOM 1776 O ASP A 129 15.643 -9.739 -0.280 1.00 0.00 O ATOM 1777 CB ASP A 129 16.178 -6.785 -1.759 1.00 0.00 C ATOM 1778 CG ASP A 129 17.366 -6.970 -0.839 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.438 -7.386 -1.321 1.00 0.00 O ATOM 1780 OD2 ASP A 129 17.239 -6.688 0.366 1.00 0.00 O ATOM 0 H ASP A 129 14.092 -6.846 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 129 16.062 -8.776 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.519 -6.376 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.496 -6.054 -1.324 1.00 0.00 H new ATOM 1785 N LEU A 130 14.067 -8.147 -0.021 1.00 0.00 N ATOM 1786 CA LEU A 130 13.629 -8.601 1.293 1.00 0.00 C ATOM 1787 C LEU A 130 13.110 -10.034 1.260 1.00 0.00 C ATOM 1788 O LEU A 130 13.421 -10.834 2.143 1.00 0.00 O ATOM 1789 CB LEU A 130 12.557 -7.676 1.843 1.00 0.00 C ATOM 1790 CG LEU A 130 13.036 -6.261 2.166 1.00 0.00 C ATOM 1791 CD1 LEU A 130 12.111 -5.642 3.181 1.00 0.00 C ATOM 1792 CD2 LEU A 130 14.466 -6.264 2.690 1.00 0.00 C ATOM 0 H LEU A 130 13.545 -7.348 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 130 14.500 -8.578 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.745 -7.613 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 130 12.143 -8.120 2.748 1.00 0.00 H new ATOM 0 HG LEU A 130 13.023 -5.673 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 130 12.450 -4.632 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 130 11.100 -5.601 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.113 -6.244 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.775 -5.242 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 130 14.519 -6.863 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.129 -6.689 1.936 1.00 0.00 H new ATOM 1804 N GLN A 131 12.339 -10.370 0.229 1.00 0.00 N ATOM 1805 CA GLN A 131 11.720 -11.690 0.157 1.00 0.00 C ATOM 1806 C GLN A 131 12.765 -12.781 -0.043 1.00 0.00 C ATOM 1807 O GLN A 131 12.533 -13.935 0.308 1.00 0.00 O ATOM 1808 CB GLN A 131 10.675 -11.763 -0.956 1.00 0.00 C ATOM 1809 CG GLN A 131 11.253 -11.716 -2.362 1.00 0.00 C ATOM 1810 CD GLN A 131 10.220 -12.029 -3.421 1.00 0.00 C ATOM 1811 OE1 GLN A 131 9.271 -12.768 -3.173 1.00 0.00 O ATOM 1812 NE2 GLN A 131 10.403 -11.484 -4.613 1.00 0.00 N ATOM 0 H GLN A 131 12.130 -9.756 -0.558 1.00 0.00 H new ATOM 0 HA GLN A 131 11.218 -11.855 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.103 -12.684 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.975 -10.936 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.671 -10.726 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 131 12.075 -12.428 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.205 -10.875 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.742 -11.673 -5.367 1.00 0.00 H new ATOM 1821 N ARG A 132 13.915 -12.417 -0.603 1.00 0.00 N ATOM 1822 CA ARG A 132 14.999 -13.370 -0.774 1.00 0.00 C ATOM 1823 C ARG A 132 15.485 -13.834 0.589 1.00 0.00 C ATOM 1824 O ARG A 132 15.714 -15.020 0.814 1.00 0.00 O ATOM 1825 CB ARG A 132 16.151 -12.748 -1.553 1.00 0.00 C ATOM 1826 CG ARG A 132 15.746 -12.182 -2.896 1.00 0.00 C ATOM 1827 CD ARG A 132 16.947 -11.686 -3.680 1.00 0.00 C ATOM 1828 NE ARG A 132 17.734 -10.693 -2.948 1.00 0.00 N ATOM 1829 CZ ARG A 132 19.014 -10.426 -3.213 1.00 0.00 C ATOM 1830 NH1 ARG A 132 19.657 -11.116 -4.150 1.00 0.00 N ATOM 1831 NH2 ARG A 132 19.654 -9.476 -2.544 1.00 0.00 N ATOM 0 H ARG A 132 14.116 -11.476 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 132 14.627 -14.224 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.595 -11.953 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.923 -13.502 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.226 -12.948 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 132 15.043 -11.362 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 132 17.585 -12.533 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.607 -11.252 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 132 17.279 -10.177 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.172 -11.850 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 132 20.636 -10.912 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 132 19.167 -8.945 -1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 132 20.633 -9.277 -2.752 1.00 0.00 H new ATOM 1845 N GLN A 133 15.601 -12.883 1.502 1.00 0.00 N ATOM 1846 CA GLN A 133 16.012 -13.169 2.866 1.00 0.00 C ATOM 1847 C GLN A 133 14.927 -13.970 3.573 1.00 0.00 C ATOM 1848 O GLN A 133 15.211 -14.905 4.323 1.00 0.00 O ATOM 1849 CB GLN A 133 16.267 -11.862 3.615 1.00 0.00 C ATOM 1850 CG GLN A 133 17.216 -10.921 2.888 1.00 0.00 C ATOM 1851 CD GLN A 133 17.350 -9.573 3.572 1.00 0.00 C ATOM 1852 OE1 GLN A 133 18.394 -8.927 3.492 1.00 0.00 O ATOM 1853 NE2 GLN A 133 16.292 -9.127 4.233 1.00 0.00 N ATOM 0 H GLN A 133 15.414 -11.897 1.320 1.00 0.00 H new ATOM 0 HA GLN A 133 16.932 -13.753 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 133 15.316 -11.353 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 133 16.677 -12.090 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 133 18.199 -11.387 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 133 16.861 -10.772 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 133 15.443 -9.691 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 133 16.326 -8.219 4.697 1.00 0.00 H new ATOM 1862 N ALA A 134 13.677 -13.605 3.304 1.00 0.00 N ATOM 1863 CA ALA A 134 12.524 -14.276 3.896 1.00 0.00 C ATOM 1864 C ALA A 134 12.399 -15.712 3.394 1.00 0.00 C ATOM 1865 O ALA A 134 11.794 -16.560 4.051 1.00 0.00 O ATOM 1866 CB ALA A 134 11.252 -13.498 3.591 1.00 0.00 C ATOM 0 H ALA A 134 13.435 -12.841 2.673 1.00 0.00 H new ATOM 0 HA ALA A 134 12.671 -14.311 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 134 10.398 -14.007 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 134 11.332 -12.493 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 134 11.114 -13.436 2.512 1.00 0.00 H new ATOM 1872 N ALA A 135 12.968 -15.981 2.228 1.00 0.00 N ATOM 1873 CA ALA A 135 12.925 -17.314 1.648 1.00 0.00 C ATOM 1874 C ALA A 135 14.201 -18.087 1.948 1.00 0.00 C ATOM 1875 O ALA A 135 14.325 -19.266 1.607 1.00 0.00 O ATOM 1876 CB ALA A 135 12.703 -17.227 0.147 1.00 0.00 C ATOM 0 H ALA A 135 13.466 -15.292 1.664 1.00 0.00 H new ATOM 0 HA ALA A 135 12.092 -17.852 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.673 -18.231 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.758 -16.721 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 135 13.518 -16.666 -0.309 1.00 0.00 H new ATOM 1882 N GLY A 136 15.145 -17.415 2.597 1.00 0.00 N ATOM 1883 CA GLY A 136 16.426 -18.025 2.892 1.00 0.00 C ATOM 1884 C GLY A 136 17.242 -18.261 1.639 1.00 0.00 C ATOM 1885 O GLY A 136 18.016 -19.215 1.559 1.00 0.00 O ATOM 0 H GLY A 136 15.044 -16.454 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 136 16.985 -17.384 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 136 16.267 -18.973 3.405 1.00 0.00 H new ATOM 1889 N ARG A 137 17.063 -17.389 0.662 1.00 0.00 N ATOM 1890 CA ARG A 137 17.742 -17.511 -0.615 1.00 0.00 C ATOM 1891 C ARG A 137 19.014 -16.677 -0.612 1.00 0.00 C ATOM 1892 O ARG A 137 18.966 -15.447 -0.683 1.00 0.00 O ATOM 1893 CB ARG A 137 16.812 -17.060 -1.744 1.00 0.00 C ATOM 1894 CG ARG A 137 17.401 -17.224 -3.136 1.00 0.00 C ATOM 1895 CD ARG A 137 17.718 -18.680 -3.441 1.00 0.00 C ATOM 1896 NE ARG A 137 16.544 -19.543 -3.322 1.00 0.00 N ATOM 1897 CZ ARG A 137 16.521 -20.824 -3.688 1.00 0.00 C ATOM 1898 NH1 ARG A 137 17.599 -21.383 -4.223 1.00 0.00 N ATOM 1899 NH2 ARG A 137 15.422 -21.547 -3.521 1.00 0.00 N ATOM 0 H ARG A 137 16.446 -16.580 0.731 1.00 0.00 H new ATOM 0 HA ARG A 137 18.011 -18.555 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 137 15.884 -17.628 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.554 -16.012 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 137 16.699 -16.841 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.310 -16.628 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 137 18.121 -18.757 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 137 18.494 -19.030 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 137 15.691 -19.140 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 137 18.447 -20.832 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 137 17.579 -22.364 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 137 14.590 -21.123 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 137 15.409 -22.527 -3.803 1.00 0.00 H new ATOM 1913 N ILE A 138 20.147 -17.359 -0.518 1.00 0.00 N ATOM 1914 CA ILE A 138 21.445 -16.700 -0.498 1.00 0.00 C ATOM 1915 C ILE A 138 21.743 -16.068 -1.851 1.00 0.00 C ATOM 1916 O ILE A 138 21.796 -14.845 -1.985 1.00 0.00 O ATOM 1917 CB ILE A 138 22.591 -17.684 -0.134 1.00 0.00 C ATOM 1918 CG1 ILE A 138 22.523 -18.103 1.341 1.00 0.00 C ATOM 1919 CG2 ILE A 138 23.953 -17.076 -0.448 1.00 0.00 C ATOM 1920 CD1 ILE A 138 21.434 -19.107 1.649 1.00 0.00 C ATOM 0 H ILE A 138 20.193 -18.376 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 138 21.397 -15.928 0.270 1.00 0.00 H new ATOM 0 HB ILE A 138 22.460 -18.576 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 138 23.485 -18.526 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 138 22.367 -17.215 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 138 24.738 -17.785 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 138 24.013 -16.848 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 138 24.084 -16.159 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 138 21.453 -19.350 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 138 20.464 -18.682 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 138 21.599 -20.013 1.066 1.00 0.00 H new ATOM 1932 N GLU A 139 21.949 -16.913 -2.846 1.00 0.00 N ATOM 1933 CA GLU A 139 22.272 -16.454 -4.179 1.00 0.00 C ATOM 1934 C GLU A 139 21.039 -16.540 -5.074 1.00 0.00 C ATOM 1935 O GLU A 139 20.373 -17.575 -5.138 1.00 0.00 O ATOM 1936 CB GLU A 139 23.448 -17.264 -4.731 1.00 0.00 C ATOM 1937 CG GLU A 139 23.171 -18.753 -4.858 1.00 0.00 C ATOM 1938 CD GLU A 139 24.429 -19.567 -5.079 1.00 0.00 C ATOM 1939 OE1 GLU A 139 25.086 -19.927 -4.081 1.00 0.00 O ATOM 1940 OE2 GLU A 139 24.763 -19.858 -6.247 1.00 0.00 O ATOM 0 H GLU A 139 21.897 -17.927 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 139 22.577 -15.408 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.718 -16.871 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 139 24.311 -17.120 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.671 -19.103 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.485 -18.921 -5.688 1.00 0.00 H new ATOM 1947 N SER A 140 20.721 -15.443 -5.737 1.00 0.00 N ATOM 1948 CA SER A 140 19.527 -15.374 -6.563 1.00 0.00 C ATOM 1949 C SER A 140 19.853 -15.707 -8.011 1.00 0.00 C ATOM 1950 O SER A 140 20.882 -15.283 -8.540 1.00 0.00 O ATOM 1951 CB SER A 140 18.913 -13.983 -6.462 1.00 0.00 C ATOM 1952 OG SER A 140 18.788 -13.598 -5.104 1.00 0.00 O ATOM 0 H SER A 140 21.273 -14.586 -5.720 1.00 0.00 H new ATOM 0 HA SER A 140 18.807 -16.109 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 140 19.535 -13.264 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 140 17.934 -13.975 -6.941 1.00 0.00 H new ATOM 0 HG SER A 140 18.223 -14.245 -4.631 1.00 0.00 H new ATOM 1958 N ILE A 141 18.976 -16.467 -8.644 1.00 0.00 N ATOM 1959 CA ILE A 141 19.182 -16.893 -10.016 1.00 0.00 C ATOM 1960 C ILE A 141 18.330 -16.048 -10.951 1.00 0.00 C ATOM 1961 O ILE A 141 18.868 -15.099 -11.553 1.00 0.00 O ATOM 1962 CB ILE A 141 18.835 -18.389 -10.197 1.00 0.00 C ATOM 1963 CG1 ILE A 141 19.575 -19.242 -9.159 1.00 0.00 C ATOM 1964 CG2 ILE A 141 19.173 -18.851 -11.607 1.00 0.00 C ATOM 1965 CD1 ILE A 141 21.083 -19.083 -9.195 1.00 0.00 C ATOM 1966 OXT ILE A 141 17.115 -16.309 -11.050 1.00 0.00 O ATOM 0 H ILE A 141 18.109 -16.803 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 141 20.236 -16.758 -10.259 1.00 0.00 H new ATOM 0 HB ILE A 141 17.763 -18.513 -10.044 1.00 0.00 H new ATOM 0 HG12 ILE A 141 19.215 -18.979 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 141 19.326 -20.291 -9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 141 18.922 -19.906 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 141 18.601 -18.267 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 141 20.238 -18.712 -11.790 1.00 0.00 H new ATOM 0 HD11 ILE A 141 21.534 -19.718 -8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 141 21.456 -19.374 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 141 21.344 -18.042 -9.002 1.00 0.00 H new TER 1978 ILE A 141