USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 803 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 75 MET CE :methyl 180:sc= -3.14 (180deg=-3.02) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -2.31! F(o=-6.1,f=-5.5!) USER MOD Set 2.1: A 63 GLN : amide:sc= -0.14 K(o=-0.032,f=-2.3) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 169:sc= 0.108 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.96! C(o=-1.6!,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -88:sc= 0.61 USER MOD Set 3.3: A 90 THR OG1 : rot 114:sc= -1.42! USER MOD Set 3.4: A 92 SER OG : rot -161:sc= 1.24 USER MOD Set 3.5: A 105 THR OG1 : rot 148:sc= 0.915 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -134:sc= -2.88! USER MOD Single : A 17 ASN : amide:sc= -2.77 K(o=-2.8,f=-15!) USER MOD Single : A 23 THR OG1 : rot -122:sc= 1.17 USER MOD Single : A 27 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.012) USER MOD Single : A 29 CYS SG : rot 79:sc= -3.26 USER MOD Single : A 32 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 35 TYR OH : rot 112:sc= 0.0915 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 38 GLN : amide:sc= -0.0536 K(o=-0.054,f=-1.4!) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.184 (180deg=-1.07) USER MOD Single : A 44 ASN : amide:sc= -4.25! C(o=-4.3!,f=-7.3!) USER MOD Single : A 49 CYS SG : rot -55:sc= -2.34 USER MOD Single : A 50 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-5.1!) USER MOD Single : A 54 GLN : amide:sc= -2.52! C(o=-2.5!,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= 0.0451 X(o=0.045,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= -0.0837 K(o=-0.084,f=-0.73) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.514 (180deg=-1.61) USER MOD Single : A 70 GLN : amide:sc= -0.254 K(o=-0.25,f=-0.91) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00662 USER MOD Single : A 80 SER OG : rot 53:sc= -3.95! USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0221 (180deg=-0.2) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 88 MET CE :methyl 140:sc= -8.09! (180deg=-11.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0257 F(o=-1.7!,f=-0.026) USER MOD Single : A 94 THR OG1 : rot 34:sc= 0.556! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 CYS SG : rot 39:sc= 1.19 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -14.254 -7.350 5.504 1.00 0.00 N ATOM 91 CA GLN A 8 -13.861 -5.946 5.505 1.00 0.00 C ATOM 92 C GLN A 8 -12.348 -5.799 5.654 1.00 0.00 C ATOM 93 O GLN A 8 -11.684 -6.670 6.217 1.00 0.00 O ATOM 94 CB GLN A 8 -14.561 -5.193 6.630 1.00 0.00 C ATOM 95 CG GLN A 8 -16.078 -5.255 6.559 1.00 0.00 C ATOM 96 CD GLN A 8 -16.744 -4.564 7.732 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.193 -4.511 8.833 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.938 -4.029 7.504 1.00 0.00 N ATOM 0 HA GLN A 8 -14.161 -5.519 4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.234 -5.602 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.248 -4.149 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.414 -4.793 5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.395 -6.298 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.358 -4.096 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.435 -3.551 8.256 1.00 0.00 H new ATOM 107 N PRO A 9 -11.785 -4.688 5.148 1.00 0.00 N ATOM 108 CA PRO A 9 -10.350 -4.418 5.214 1.00 0.00 C ATOM 109 C PRO A 9 -9.920 -3.708 6.491 1.00 0.00 C ATOM 110 O PRO A 9 -10.635 -3.698 7.494 1.00 0.00 O ATOM 111 CB PRO A 9 -10.146 -3.491 4.030 1.00 0.00 C ATOM 112 CG PRO A 9 -11.387 -2.675 4.017 1.00 0.00 C ATOM 113 CD PRO A 9 -12.498 -3.602 4.449 1.00 0.00 C ATOM 0 HA PRO A 9 -9.767 -5.339 5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.258 -2.871 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.020 -4.047 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.302 -1.825 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.579 -2.272 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.208 -3.099 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.063 -3.977 3.596 1.00 0.00 H new ATOM 121 N THR A 10 -8.738 -3.105 6.414 1.00 0.00 N ATOM 122 CA THR A 10 -8.129 -2.366 7.514 1.00 0.00 C ATOM 123 C THR A 10 -6.694 -2.033 7.133 1.00 0.00 C ATOM 124 O THR A 10 -6.211 -0.922 7.343 1.00 0.00 O ATOM 125 CB THR A 10 -8.133 -3.174 8.828 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.353 -2.503 9.824 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.588 -4.572 8.607 1.00 0.00 C ATOM 0 H THR A 10 -8.166 -3.117 5.570 1.00 0.00 H new ATOM 0 HA THR A 10 -8.712 -1.461 7.684 1.00 0.00 H new ATOM 0 HB THR A 10 -9.164 -3.254 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.364 -3.024 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.602 -5.121 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.206 -5.092 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.564 -4.509 8.238 1.00 0.00 H new ATOM 135 N GLU A 11 -6.031 -3.032 6.568 1.00 0.00 N ATOM 136 CA GLU A 11 -4.660 -2.920 6.099 1.00 0.00 C ATOM 137 C GLU A 11 -4.322 -4.142 5.273 1.00 0.00 C ATOM 138 O GLU A 11 -4.649 -5.266 5.654 1.00 0.00 O ATOM 139 CB GLU A 11 -3.678 -2.788 7.255 1.00 0.00 C ATOM 140 CG GLU A 11 -3.743 -3.943 8.232 1.00 0.00 C ATOM 141 CD GLU A 11 -2.724 -3.825 9.348 1.00 0.00 C ATOM 142 OE1 GLU A 11 -3.011 -3.126 10.343 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.640 -4.433 9.229 1.00 0.00 O ATOM 0 H GLU A 11 -6.438 -3.956 6.421 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.575 -2.018 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.666 -2.715 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.878 -1.859 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.743 -3.993 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.580 -4.877 7.695 1.00 0.00 H new ATOM 150 N PHE A 12 -3.676 -3.931 4.144 1.00 0.00 N ATOM 151 CA PHE A 12 -3.310 -5.045 3.288 1.00 0.00 C ATOM 152 C PHE A 12 -1.815 -5.051 3.044 1.00 0.00 C ATOM 153 O PHE A 12 -1.226 -4.040 2.661 1.00 0.00 O ATOM 154 CB PHE A 12 -4.105 -5.035 1.972 1.00 0.00 C ATOM 155 CG PHE A 12 -3.658 -4.028 0.947 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.670 -4.350 0.029 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.247 -2.775 0.879 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.278 -3.441 -0.934 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.860 -1.864 -0.086 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.873 -2.198 -0.993 1.00 0.00 C ATOM 0 H PHE A 12 -3.396 -3.013 3.800 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.572 -5.970 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.048 -6.028 1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.154 -4.849 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.202 -5.322 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.017 -2.508 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.505 -3.704 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.329 -0.892 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.568 -1.487 -1.747 1.00 0.00 H new ATOM 170 N ILE A 13 -1.207 -6.199 3.287 1.00 0.00 N ATOM 171 CA ILE A 13 0.225 -6.346 3.130 1.00 0.00 C ATOM 172 C ILE A 13 0.619 -6.567 1.684 1.00 0.00 C ATOM 173 O ILE A 13 0.453 -7.658 1.147 1.00 0.00 O ATOM 174 CB ILE A 13 0.765 -7.522 3.954 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.304 -7.419 5.408 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.281 -7.557 3.864 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.052 -8.763 6.051 1.00 0.00 C ATOM 0 H ILE A 13 -1.687 -7.045 3.595 1.00 0.00 H new ATOM 0 HA ILE A 13 0.659 -5.412 3.486 1.00 0.00 H new ATOM 0 HB ILE A 13 0.370 -8.453 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.059 -6.884 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.610 -6.826 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.661 -8.393 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.581 -7.678 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.690 -6.625 4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.272 -8.618 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.724 -9.291 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.970 -9.350 6.039 1.00 0.00 H new ATOM 189 N SER A 14 1.138 -5.531 1.057 1.00 0.00 N ATOM 190 CA SER A 14 1.590 -5.644 -0.312 1.00 0.00 C ATOM 191 C SER A 14 3.096 -5.500 -0.348 1.00 0.00 C ATOM 192 O SER A 14 3.650 -4.526 0.165 1.00 0.00 O ATOM 193 CB SER A 14 0.940 -4.581 -1.189 1.00 0.00 C ATOM 194 OG SER A 14 0.816 -5.033 -2.523 1.00 0.00 O ATOM 0 H SER A 14 1.256 -4.607 1.472 1.00 0.00 H new ATOM 0 HA SER A 14 1.303 -6.621 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.044 -4.329 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.536 -3.669 -1.164 1.00 0.00 H new ATOM 0 HG SER A 14 1.120 -4.331 -3.136 1.00 0.00 H new ATOM 200 N ARG A 15 3.753 -6.469 -0.953 1.00 0.00 N ATOM 201 CA ARG A 15 5.191 -6.441 -1.062 1.00 0.00 C ATOM 202 C ARG A 15 5.567 -5.827 -2.388 1.00 0.00 C ATOM 203 O ARG A 15 4.790 -5.881 -3.338 1.00 0.00 O ATOM 204 CB ARG A 15 5.782 -7.841 -0.922 1.00 0.00 C ATOM 205 CG ARG A 15 6.285 -8.140 0.479 1.00 0.00 C ATOM 206 CD ARG A 15 6.859 -9.543 0.579 1.00 0.00 C ATOM 207 NE ARG A 15 5.811 -10.558 0.665 1.00 0.00 N ATOM 208 CZ ARG A 15 5.544 -11.430 -0.304 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.223 -11.392 -1.442 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.591 -12.337 -0.136 1.00 0.00 N ATOM 0 H ARG A 15 3.310 -7.285 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 15 5.601 -5.838 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.025 -8.577 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.605 -7.954 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.049 -7.413 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.467 -8.029 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.485 -9.741 -0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.502 -9.610 1.457 1.00 0.00 H new ATOM 0 HE ARG A 15 5.252 -10.600 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.953 -10.693 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.015 -12.062 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.063 -12.366 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.386 -13.005 -0.879 1.00 0.00 H new ATOM 224 N HIS A 16 6.742 -5.234 -2.453 1.00 0.00 N ATOM 225 CA HIS A 16 7.174 -4.589 -3.675 1.00 0.00 C ATOM 226 C HIS A 16 8.664 -4.287 -3.643 1.00 0.00 C ATOM 227 O HIS A 16 9.349 -4.573 -2.661 1.00 0.00 O ATOM 228 CB HIS A 16 6.398 -3.286 -3.840 1.00 0.00 C ATOM 229 CG HIS A 16 6.621 -2.340 -2.705 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.863 -1.832 -2.396 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.767 -1.830 -1.785 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.768 -1.054 -1.341 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.507 -1.033 -0.951 1.00 0.00 N ATOM 0 H HIS A 16 7.408 -5.185 -1.682 1.00 0.00 H new ATOM 0 HA HIS A 16 6.983 -5.260 -4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.694 -2.806 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.334 -3.508 -3.920 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.724 -2.029 -2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.705 -2.016 -1.721 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.583 -0.522 -0.873 1.00 0.00 H new ATOM 242 N ASN A 17 9.156 -3.705 -4.727 1.00 0.00 N ATOM 243 CA ASN A 17 10.555 -3.325 -4.820 1.00 0.00 C ATOM 244 C ASN A 17 10.700 -1.861 -4.424 1.00 0.00 C ATOM 245 O ASN A 17 9.704 -1.198 -4.143 1.00 0.00 O ATOM 246 CB ASN A 17 11.081 -3.553 -6.237 1.00 0.00 C ATOM 247 CG ASN A 17 10.217 -2.884 -7.290 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.490 -1.935 -7.001 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.302 -3.370 -8.522 1.00 0.00 N ATOM 0 H ASN A 17 8.604 -3.486 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 17 11.144 -3.943 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.099 -3.170 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.128 -4.624 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.751 -2.955 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.918 -4.159 -8.718 1.00 0.00 H new ATOM 256 N ILE A 18 11.922 -1.349 -4.401 1.00 0.00 N ATOM 257 CA ILE A 18 12.136 0.041 -4.023 1.00 0.00 C ATOM 258 C ILE A 18 11.225 0.977 -4.818 1.00 0.00 C ATOM 259 O ILE A 18 10.697 1.950 -4.280 1.00 0.00 O ATOM 260 CB ILE A 18 13.593 0.475 -4.229 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.783 1.906 -3.724 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.968 0.360 -5.697 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.522 2.066 -2.243 1.00 0.00 C ATOM 0 H ILE A 18 12.769 -1.866 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 18 11.896 0.110 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 18 14.251 -0.181 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.802 2.227 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.116 2.568 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.004 0.670 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.853 -0.674 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.316 1.001 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.676 3.106 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.495 1.777 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.207 1.430 -1.682 1.00 0.00 H new ATOM 275 N GLU A 19 11.050 0.674 -6.104 1.00 0.00 N ATOM 276 CA GLU A 19 10.195 1.484 -6.973 1.00 0.00 C ATOM 277 C GLU A 19 8.787 1.527 -6.417 1.00 0.00 C ATOM 278 O GLU A 19 8.080 2.528 -6.530 1.00 0.00 O ATOM 279 CB GLU A 19 10.121 0.888 -8.381 1.00 0.00 C ATOM 280 CG GLU A 19 11.325 1.161 -9.257 1.00 0.00 C ATOM 281 CD GLU A 19 11.697 2.630 -9.306 1.00 0.00 C ATOM 282 OE1 GLU A 19 11.097 3.368 -10.117 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.587 3.044 -8.534 1.00 0.00 O ATOM 0 H GLU A 19 11.487 -0.123 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 19 10.626 2.484 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.990 -0.191 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.233 1.279 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.175 0.588 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.120 0.809 -10.268 1.00 0.00 H new ATOM 290 N GLY A 20 8.401 0.421 -5.807 1.00 0.00 N ATOM 291 CA GLY A 20 7.075 0.299 -5.253 1.00 0.00 C ATOM 292 C GLY A 20 6.268 -0.748 -5.987 1.00 0.00 C ATOM 293 O GLY A 20 5.157 -1.087 -5.577 1.00 0.00 O ATOM 0 H GLY A 20 8.990 -0.403 -5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.142 0.036 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.565 1.261 -5.310 1.00 0.00 H new ATOM 297 N ILE A 21 6.830 -1.259 -7.084 1.00 0.00 N ATOM 298 CA ILE A 21 6.173 -2.278 -7.876 1.00 0.00 C ATOM 299 C ILE A 21 5.816 -3.474 -7.020 1.00 0.00 C ATOM 300 O ILE A 21 6.692 -4.164 -6.501 1.00 0.00 O ATOM 301 CB ILE A 21 7.063 -2.753 -9.016 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.709 -1.549 -9.716 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.234 -3.604 -9.963 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.771 -0.745 -10.589 1.00 0.00 C ATOM 0 H ILE A 21 7.744 -0.976 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 21 5.268 -1.829 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 21 7.878 -3.369 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.132 -0.890 -8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.538 -1.904 -10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.861 -3.950 -10.784 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.834 -4.463 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.411 -3.010 -10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.316 0.084 -11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.366 -1.384 -11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.954 -0.354 -9.982 1.00 0.00 H new ATOM 316 N PHE A 22 4.531 -3.742 -6.926 1.00 0.00 N ATOM 317 CA PHE A 22 4.026 -4.820 -6.101 1.00 0.00 C ATOM 318 C PHE A 22 4.478 -6.199 -6.558 1.00 0.00 C ATOM 319 O PHE A 22 3.963 -6.744 -7.531 1.00 0.00 O ATOM 320 CB PHE A 22 2.510 -4.771 -6.093 1.00 0.00 C ATOM 321 CG PHE A 22 1.940 -3.647 -5.274 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.503 -3.279 -4.059 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.828 -2.963 -5.721 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.956 -2.246 -3.317 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.280 -1.940 -4.986 1.00 0.00 C ATOM 326 CZ PHE A 22 0.842 -1.579 -3.786 1.00 0.00 C ATOM 0 H PHE A 22 3.807 -3.219 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 22 4.435 -4.670 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.154 -4.676 -7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.128 -5.717 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.373 -3.802 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.381 -3.237 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.400 -1.963 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.593 -1.420 -5.352 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.412 -0.773 -3.209 1.00 0.00 H new ATOM 336 N THR A 23 5.439 -6.761 -5.843 1.00 0.00 N ATOM 337 CA THR A 23 5.911 -8.099 -6.136 1.00 0.00 C ATOM 338 C THR A 23 5.007 -9.093 -5.413 1.00 0.00 C ATOM 339 O THR A 23 5.187 -10.309 -5.485 1.00 0.00 O ATOM 340 CB THR A 23 7.372 -8.288 -5.700 1.00 0.00 C ATOM 341 OG1 THR A 23 7.495 -8.091 -4.287 1.00 0.00 O ATOM 342 CG2 THR A 23 8.268 -7.302 -6.441 1.00 0.00 C ATOM 0 H THR A 23 5.906 -6.309 -5.056 1.00 0.00 H new ATOM 0 HA THR A 23 5.874 -8.266 -7.212 1.00 0.00 H new ATOM 0 HB THR A 23 7.683 -9.304 -5.943 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.133 -7.368 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.302 -7.443 -6.126 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.189 -7.474 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.955 -6.283 -6.213 1.00 0.00 H new ATOM 350 N PHE A 24 4.024 -8.523 -4.711 1.00 0.00 N ATOM 351 CA PHE A 24 3.027 -9.269 -3.956 1.00 0.00 C ATOM 352 C PHE A 24 1.989 -8.302 -3.395 1.00 0.00 C ATOM 353 O PHE A 24 2.287 -7.137 -3.144 1.00 0.00 O ATOM 354 CB PHE A 24 3.658 -10.064 -2.810 1.00 0.00 C ATOM 355 CG PHE A 24 2.646 -10.568 -1.809 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.997 -11.777 -2.009 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.324 -9.821 -0.680 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.054 -12.234 -1.106 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.378 -10.274 0.221 1.00 0.00 C ATOM 360 CZ PHE A 24 0.744 -11.479 0.009 1.00 0.00 C ATOM 0 H PHE A 24 3.901 -7.512 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 24 2.555 -9.980 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.205 -10.912 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.385 -9.435 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.231 -12.370 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.819 -8.877 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.560 -13.180 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.136 -9.683 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.006 -11.833 0.713 1.00 0.00 H new ATOM 370 N VAL A 25 0.769 -8.786 -3.229 1.00 0.00 N ATOM 371 CA VAL A 25 -0.315 -7.987 -2.673 1.00 0.00 C ATOM 372 C VAL A 25 -1.273 -8.882 -1.915 1.00 0.00 C ATOM 373 O VAL A 25 -1.766 -9.879 -2.441 1.00 0.00 O ATOM 374 CB VAL A 25 -1.104 -7.201 -3.747 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.892 -6.080 -3.109 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.190 -6.655 -4.827 1.00 0.00 C ATOM 0 H VAL A 25 0.501 -9.739 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 25 0.146 -7.257 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.797 -7.897 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.441 -5.537 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.595 -6.495 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.209 -5.398 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.781 -6.109 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.542 -5.983 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.327 -7.480 -5.317 1.00 0.00 H new ATOM 386 N ASP A 26 -1.510 -8.532 -0.669 1.00 0.00 N ATOM 387 CA ASP A 26 -2.407 -9.288 0.181 1.00 0.00 C ATOM 388 C ASP A 26 -3.853 -9.107 -0.293 1.00 0.00 C ATOM 389 O ASP A 26 -4.284 -7.993 -0.584 1.00 0.00 O ATOM 390 CB ASP A 26 -2.202 -8.839 1.624 1.00 0.00 C ATOM 391 CG ASP A 26 -3.380 -9.152 2.523 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.872 -10.298 2.480 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.803 -8.253 3.279 1.00 0.00 O ATOM 0 H ASP A 26 -1.089 -7.720 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.190 -10.355 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.310 -9.322 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.017 -7.765 1.640 1.00 0.00 H new ATOM 398 N HIS A 27 -4.585 -10.219 -0.376 1.00 0.00 N ATOM 399 CA HIS A 27 -5.971 -10.230 -0.869 1.00 0.00 C ATOM 400 C HIS A 27 -6.885 -9.205 -0.192 1.00 0.00 C ATOM 401 O HIS A 27 -7.991 -8.964 -0.669 1.00 0.00 O ATOM 402 CB HIS A 27 -6.567 -11.630 -0.727 1.00 0.00 C ATOM 403 CG HIS A 27 -6.907 -12.002 0.683 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.205 -12.150 1.129 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.114 -12.257 1.750 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.193 -12.478 2.409 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.938 -12.550 2.809 1.00 0.00 N ATOM 0 H HIS A 27 -4.238 -11.139 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.917 -9.941 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.468 -11.695 -1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.860 -12.358 -1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.034 -12.234 1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.063 -12.657 3.023 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.629 -12.785 3.752 1.00 0.00 H new ATOM 416 N ARG A 28 -6.452 -8.609 0.910 1.00 0.00 N ATOM 417 CA ARG A 28 -7.279 -7.610 1.583 1.00 0.00 C ATOM 418 C ARG A 28 -7.395 -6.366 0.714 1.00 0.00 C ATOM 419 O ARG A 28 -8.353 -5.602 0.816 1.00 0.00 O ATOM 420 CB ARG A 28 -6.704 -7.242 2.950 1.00 0.00 C ATOM 421 CG ARG A 28 -7.136 -8.184 4.061 1.00 0.00 C ATOM 422 CD ARG A 28 -7.333 -7.441 5.372 1.00 0.00 C ATOM 423 NE ARG A 28 -7.836 -8.320 6.425 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.403 -8.292 7.682 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.455 -7.437 8.043 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.917 -9.123 8.579 1.00 0.00 N ATOM 0 H ARG A 28 -5.551 -8.793 1.352 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.269 -8.038 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.616 -7.239 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.012 -6.228 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.065 -8.680 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.385 -8.963 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.386 -7.002 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.031 -6.618 5.222 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.562 -8.994 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.056 -6.798 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.125 -7.419 9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.644 -9.783 8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.585 -9.102 9.543 1.00 0.00 H new ATOM 440 N CYS A 29 -6.395 -6.185 -0.135 1.00 0.00 N ATOM 441 CA CYS A 29 -6.312 -5.054 -1.040 1.00 0.00 C ATOM 442 C CYS A 29 -7.602 -4.812 -1.824 1.00 0.00 C ATOM 443 O CYS A 29 -7.872 -3.687 -2.224 1.00 0.00 O ATOM 444 CB CYS A 29 -5.167 -5.289 -2.011 1.00 0.00 C ATOM 445 SG CYS A 29 -5.398 -6.727 -3.073 1.00 0.00 S ATOM 0 H CYS A 29 -5.609 -6.830 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.143 -4.164 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.045 -4.404 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.243 -5.411 -1.446 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.209 -6.424 -4.043 1.00 0.00 H new ATOM 451 N VAL A 30 -8.388 -5.850 -2.076 1.00 0.00 N ATOM 452 CA VAL A 30 -9.625 -5.660 -2.827 1.00 0.00 C ATOM 453 C VAL A 30 -10.704 -5.038 -1.938 1.00 0.00 C ATOM 454 O VAL A 30 -11.561 -4.299 -2.410 1.00 0.00 O ATOM 455 CB VAL A 30 -10.132 -6.969 -3.475 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.109 -8.081 -3.330 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.466 -7.388 -2.892 1.00 0.00 C ATOM 0 H VAL A 30 -8.201 -6.808 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.401 -4.972 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.275 -6.777 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.491 -8.990 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.180 -7.787 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.920 -8.266 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.797 -8.311 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.360 -7.550 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.203 -6.605 -3.069 1.00 0.00 H new ATOM 467 N ALA A 31 -10.679 -5.364 -0.655 1.00 0.00 N ATOM 468 CA ALA A 31 -11.634 -4.792 0.282 1.00 0.00 C ATOM 469 C ALA A 31 -11.170 -3.405 0.695 1.00 0.00 C ATOM 470 O ALA A 31 -11.968 -2.533 1.036 1.00 0.00 O ATOM 471 CB ALA A 31 -11.780 -5.679 1.503 1.00 0.00 C ATOM 0 H ALA A 31 -10.013 -6.017 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.607 -4.718 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.498 -5.234 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.132 -6.664 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.814 -5.777 1.999 1.00 0.00 H new ATOM 477 N THR A 32 -9.857 -3.220 0.627 1.00 0.00 N ATOM 478 CA THR A 32 -9.208 -1.973 1.014 1.00 0.00 C ATOM 479 C THR A 32 -9.231 -0.925 -0.092 1.00 0.00 C ATOM 480 O THR A 32 -9.769 0.168 0.084 1.00 0.00 O ATOM 481 CB THR A 32 -7.742 -2.255 1.362 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.649 -3.387 2.235 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.098 -1.056 2.019 1.00 0.00 C ATOM 0 H THR A 32 -9.208 -3.936 0.300 1.00 0.00 H new ATOM 0 HA THR A 32 -9.762 -1.581 1.867 1.00 0.00 H new ATOM 0 HB THR A 32 -7.213 -2.468 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.976 -4.186 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.059 -1.285 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.137 -0.204 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.633 -0.813 2.937 1.00 0.00 H new ATOM 491 N VAL A 33 -8.646 -1.268 -1.233 1.00 0.00 N ATOM 492 CA VAL A 33 -8.574 -0.356 -2.360 1.00 0.00 C ATOM 493 C VAL A 33 -9.339 -0.885 -3.562 1.00 0.00 C ATOM 494 O VAL A 33 -9.209 -0.368 -4.667 1.00 0.00 O ATOM 495 CB VAL A 33 -7.111 -0.086 -2.747 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.409 0.626 -1.607 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.397 -1.379 -3.079 1.00 0.00 C ATOM 0 H VAL A 33 -8.213 -2.177 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.040 0.579 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.092 0.547 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.372 0.817 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.911 1.572 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.439 0.001 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.363 -1.165 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.415 -2.038 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.898 -1.867 -3.915 1.00 0.00 H new ATOM 507 N GLY A 34 -10.120 -1.935 -3.344 1.00 0.00 N ATOM 508 CA GLY A 34 -10.920 -2.503 -4.426 1.00 0.00 C ATOM 509 C GLY A 34 -10.102 -3.310 -5.411 1.00 0.00 C ATOM 510 O GLY A 34 -10.598 -4.265 -6.008 1.00 0.00 O ATOM 0 H GLY A 34 -10.218 -2.406 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.696 -3.139 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.425 -1.697 -4.958 1.00 0.00 H new ATOM 514 N TYR A 35 -8.847 -2.925 -5.573 1.00 0.00 N ATOM 515 CA TYR A 35 -7.948 -3.595 -6.494 1.00 0.00 C ATOM 516 C TYR A 35 -7.525 -4.961 -5.985 1.00 0.00 C ATOM 517 O TYR A 35 -6.891 -5.070 -4.936 1.00 0.00 O ATOM 518 CB TYR A 35 -6.718 -2.736 -6.709 1.00 0.00 C ATOM 519 CG TYR A 35 -7.038 -1.438 -7.380 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.681 -1.413 -8.606 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.708 -0.238 -6.784 1.00 0.00 C ATOM 522 CE1 TYR A 35 -7.984 -0.228 -9.223 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.004 0.958 -7.393 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.644 0.963 -8.616 1.00 0.00 C ATOM 525 OH TYR A 35 -7.941 2.158 -9.231 1.00 0.00 O ATOM 0 H TYR A 35 -8.426 -2.143 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.482 -3.741 -7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.244 -2.538 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.996 -3.285 -7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.948 -2.344 -9.084 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.210 -0.239 -5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.486 -0.226 -10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.737 1.890 -6.917 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.625 2.632 -8.713 1.00 0.00 H new ATOM 535 N GLN A 36 -7.880 -6.001 -6.729 1.00 0.00 N ATOM 536 CA GLN A 36 -7.498 -7.350 -6.368 1.00 0.00 C ATOM 537 C GLN A 36 -5.977 -7.419 -6.278 1.00 0.00 C ATOM 538 O GLN A 36 -5.296 -6.572 -6.853 1.00 0.00 O ATOM 539 CB GLN A 36 -8.010 -8.336 -7.418 1.00 0.00 C ATOM 540 CG GLN A 36 -9.506 -8.228 -7.674 1.00 0.00 C ATOM 541 CD GLN A 36 -9.994 -9.223 -8.710 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.440 -10.314 -8.851 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.036 -8.849 -9.443 1.00 0.00 N ATOM 0 H GLN A 36 -8.431 -5.931 -7.584 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.935 -7.615 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.476 -8.168 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.777 -9.351 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.043 -8.389 -6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.742 -7.217 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.464 -7.936 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.408 -9.475 -10.157 1.00 0.00 H new ATOM 552 N PRO A 37 -5.409 -8.390 -5.550 1.00 0.00 N ATOM 553 CA PRO A 37 -3.967 -8.495 -5.438 1.00 0.00 C ATOM 554 C PRO A 37 -3.291 -8.421 -6.796 1.00 0.00 C ATOM 555 O PRO A 37 -2.252 -7.786 -6.942 1.00 0.00 O ATOM 556 CB PRO A 37 -3.726 -9.851 -4.799 1.00 0.00 C ATOM 557 CG PRO A 37 -5.024 -10.310 -4.238 1.00 0.00 C ATOM 558 CD PRO A 37 -6.111 -9.421 -4.776 1.00 0.00 C ATOM 0 HA PRO A 37 -3.552 -7.674 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.352 -10.562 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.972 -9.778 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.211 -11.348 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.003 -10.268 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.805 -9.981 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.695 -8.979 -3.969 1.00 0.00 H new ATOM 566 N GLN A 38 -3.885 -9.078 -7.789 1.00 0.00 N ATOM 567 CA GLN A 38 -3.343 -9.061 -9.143 1.00 0.00 C ATOM 568 C GLN A 38 -3.539 -7.686 -9.766 1.00 0.00 C ATOM 569 O GLN A 38 -2.755 -7.250 -10.609 1.00 0.00 O ATOM 570 CB GLN A 38 -4.007 -10.131 -10.005 1.00 0.00 C ATOM 571 CG GLN A 38 -5.515 -10.072 -9.957 1.00 0.00 C ATOM 572 CD GLN A 38 -6.171 -11.361 -10.415 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.609 -12.446 -10.260 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.365 -11.248 -10.984 1.00 0.00 N ATOM 0 H GLN A 38 -4.738 -9.626 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.276 -9.278 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.677 -10.015 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.676 -11.115 -9.673 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.833 -9.851 -8.938 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.862 -9.251 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.793 -10.329 -11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.854 -12.080 -11.313 1.00 0.00 H new ATOM 583 N GLU A 39 -4.599 -7.010 -9.334 1.00 0.00 N ATOM 584 CA GLU A 39 -4.922 -5.675 -9.813 1.00 0.00 C ATOM 585 C GLU A 39 -3.873 -4.676 -9.333 1.00 0.00 C ATOM 586 O GLU A 39 -3.833 -3.530 -9.782 1.00 0.00 O ATOM 587 CB GLU A 39 -6.302 -5.271 -9.295 1.00 0.00 C ATOM 588 CG GLU A 39 -7.314 -4.974 -10.385 1.00 0.00 C ATOM 589 CD GLU A 39 -8.720 -5.389 -10.002 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.292 -4.772 -9.082 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.250 -6.333 -10.625 1.00 0.00 O ATOM 0 H GLU A 39 -5.256 -7.373 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.929 -5.676 -10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.689 -6.071 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.196 -4.389 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.302 -3.907 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.022 -5.493 -11.298 1.00 0.00 H new ATOM 598 N LEU A 40 -3.027 -5.130 -8.413 1.00 0.00 N ATOM 599 CA LEU A 40 -1.973 -4.300 -7.847 1.00 0.00 C ATOM 600 C LEU A 40 -0.601 -4.841 -8.232 1.00 0.00 C ATOM 601 O LEU A 40 0.330 -4.086 -8.496 1.00 0.00 O ATOM 602 CB LEU A 40 -2.100 -4.282 -6.324 1.00 0.00 C ATOM 603 CG LEU A 40 -2.833 -3.096 -5.687 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.265 -2.057 -6.712 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.027 -3.612 -4.910 1.00 0.00 C ATOM 0 H LEU A 40 -3.054 -6.080 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.076 -3.289 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.610 -5.196 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.096 -4.322 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.140 -2.592 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.779 -1.239 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.387 -1.669 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.938 -2.517 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.554 -2.774 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.700 -4.139 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.687 -4.294 -4.131 1.00 0.00 H new ATOM 617 N LEU A 41 -0.498 -6.161 -8.262 1.00 0.00 N ATOM 618 CA LEU A 41 0.745 -6.844 -8.593 1.00 0.00 C ATOM 619 C LEU A 41 1.336 -6.336 -9.901 1.00 0.00 C ATOM 620 O LEU A 41 0.648 -6.244 -10.918 1.00 0.00 O ATOM 621 CB LEU A 41 0.491 -8.351 -8.670 1.00 0.00 C ATOM 622 CG LEU A 41 0.592 -9.092 -7.335 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.403 -10.242 -7.270 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.011 -9.594 -7.115 1.00 0.00 C ATOM 0 H LEU A 41 -1.274 -6.790 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 41 1.472 -6.634 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.503 -8.516 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.205 -8.790 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 41 0.344 -8.392 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.309 -10.751 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.416 -9.853 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.198 -10.947 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.067 -10.119 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.285 -10.275 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.699 -8.748 -7.105 1.00 0.00 H new ATOM 636 N GLY A 42 2.622 -6.011 -9.856 1.00 0.00 N ATOM 637 CA GLY A 42 3.311 -5.513 -11.029 1.00 0.00 C ATOM 638 C GLY A 42 3.113 -4.028 -11.220 1.00 0.00 C ATOM 639 O GLY A 42 3.712 -3.421 -12.109 1.00 0.00 O ATOM 0 H GLY A 42 3.203 -6.085 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.376 -5.727 -10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.951 -6.042 -11.911 1.00 0.00 H new ATOM 643 N LYS A 43 2.268 -3.441 -10.382 1.00 0.00 N ATOM 644 CA LYS A 43 1.985 -2.019 -10.454 1.00 0.00 C ATOM 645 C LYS A 43 2.733 -1.255 -9.383 1.00 0.00 C ATOM 646 O LYS A 43 2.856 -1.709 -8.245 1.00 0.00 O ATOM 647 CB LYS A 43 0.494 -1.755 -10.283 1.00 0.00 C ATOM 648 CG LYS A 43 -0.376 -2.619 -11.160 1.00 0.00 C ATOM 649 CD LYS A 43 -1.648 -1.899 -11.566 1.00 0.00 C ATOM 650 CE LYS A 43 -2.159 -2.380 -12.915 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.147 -2.194 -13.991 1.00 0.00 N ATOM 0 H LYS A 43 1.766 -3.933 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 43 2.312 -1.678 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.222 -1.919 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.291 -0.707 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.179 -2.909 -12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.630 -3.537 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.415 -2.059 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.461 -0.826 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.427 -3.434 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.068 -1.837 -13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.630 -2.053 -14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.561 -1.362 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.542 -3.038 -14.048 1.00 0.00 H new ATOM 665 N ASN A 44 3.226 -0.092 -9.756 1.00 0.00 N ATOM 666 CA ASN A 44 3.934 0.763 -8.824 1.00 0.00 C ATOM 667 C ASN A 44 2.945 1.301 -7.801 1.00 0.00 C ATOM 668 O ASN A 44 1.998 2.002 -8.147 1.00 0.00 O ATOM 669 CB ASN A 44 4.610 1.913 -9.574 1.00 0.00 C ATOM 670 CG ASN A 44 5.675 2.604 -8.758 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.383 3.482 -7.950 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.921 2.227 -8.991 1.00 0.00 N ATOM 0 H ASN A 44 3.149 0.284 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 44 4.708 0.191 -8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.055 1.529 -10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.855 2.642 -9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.690 2.671 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.113 1.492 -9.672 1.00 0.00 H new ATOM 679 N ILE A 45 3.156 0.937 -6.548 1.00 0.00 N ATOM 680 CA ILE A 45 2.293 1.365 -5.463 1.00 0.00 C ATOM 681 C ILE A 45 2.038 2.869 -5.502 1.00 0.00 C ATOM 682 O ILE A 45 0.912 3.322 -5.292 1.00 0.00 O ATOM 683 CB ILE A 45 2.924 0.988 -4.116 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.007 1.364 -2.959 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.265 1.664 -3.975 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.557 0.989 -1.601 1.00 0.00 C ATOM 0 H ILE A 45 3.928 0.338 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 45 1.336 0.857 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 45 3.066 -0.092 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.827 2.439 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.042 0.876 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.710 1.394 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.921 1.342 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.134 2.745 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.850 1.288 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.711 -0.089 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.507 1.498 -1.440 1.00 0.00 H new ATOM 698 N VAL A 46 3.083 3.641 -5.788 1.00 0.00 N ATOM 699 CA VAL A 46 2.960 5.090 -5.836 1.00 0.00 C ATOM 700 C VAL A 46 2.129 5.538 -7.036 1.00 0.00 C ATOM 701 O VAL A 46 1.514 6.602 -6.999 1.00 0.00 O ATOM 702 CB VAL A 46 4.327 5.813 -5.805 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.428 4.870 -5.360 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.655 6.466 -7.140 1.00 0.00 C ATOM 0 H VAL A 46 4.018 3.287 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 46 2.434 5.382 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 46 4.257 6.616 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.379 5.402 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.206 4.498 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.491 4.031 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.623 6.962 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.690 5.704 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.887 7.200 -7.385 1.00 0.00 H new ATOM 714 N GLU A 47 2.137 4.750 -8.114 1.00 0.00 N ATOM 715 CA GLU A 47 1.345 5.091 -9.293 1.00 0.00 C ATOM 716 C GLU A 47 -0.100 5.349 -8.883 1.00 0.00 C ATOM 717 O GLU A 47 -0.802 6.145 -9.506 1.00 0.00 O ATOM 718 CB GLU A 47 1.403 3.981 -10.344 1.00 0.00 C ATOM 719 CG GLU A 47 2.514 4.169 -11.365 1.00 0.00 C ATOM 720 CD GLU A 47 2.478 3.125 -12.465 1.00 0.00 C ATOM 721 OE1 GLU A 47 1.721 3.316 -13.439 1.00 0.00 O ATOM 722 OE2 GLU A 47 3.208 2.119 -12.352 1.00 0.00 O ATOM 0 H GLU A 47 2.674 3.886 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 47 1.765 5.993 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.540 3.023 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.446 3.934 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.431 5.161 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.479 4.125 -10.859 1.00 0.00 H new ATOM 729 N PHE A 48 -0.532 4.669 -7.825 1.00 0.00 N ATOM 730 CA PHE A 48 -1.878 4.849 -7.296 1.00 0.00 C ATOM 731 C PHE A 48 -1.859 5.994 -6.308 1.00 0.00 C ATOM 732 O PHE A 48 -2.814 6.761 -6.193 1.00 0.00 O ATOM 733 CB PHE A 48 -2.364 3.584 -6.593 1.00 0.00 C ATOM 734 CG PHE A 48 -2.459 2.394 -7.492 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.342 1.622 -7.757 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.669 2.043 -8.063 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.435 0.515 -8.585 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.766 0.943 -8.888 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.647 0.181 -9.147 1.00 0.00 C ATOM 0 H PHE A 48 0.032 3.988 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.557 5.063 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.687 3.353 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.343 3.776 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.392 1.884 -7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.548 2.637 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.560 -0.084 -8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.715 0.679 -9.330 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.721 -0.681 -9.793 1.00 0.00 H new ATOM 749 N CYS A 49 -0.745 6.087 -5.596 1.00 0.00 N ATOM 750 CA CYS A 49 -0.541 7.139 -4.607 1.00 0.00 C ATOM 751 C CYS A 49 -0.691 8.514 -5.242 1.00 0.00 C ATOM 752 O CYS A 49 -0.351 8.704 -6.409 1.00 0.00 O ATOM 753 CB CYS A 49 0.854 7.023 -3.996 1.00 0.00 C ATOM 754 SG CYS A 49 1.328 8.431 -2.964 1.00 0.00 S ATOM 0 H CYS A 49 0.039 5.441 -5.685 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.296 7.020 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.902 6.114 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.583 6.913 -4.799 1.00 0.00 H new ATOM 0 HG CYS A 49 1.203 9.531 -3.646 1.00 0.00 H new ATOM 760 N HIS A 50 -1.205 9.469 -4.475 1.00 0.00 N ATOM 761 CA HIS A 50 -1.360 10.826 -4.973 1.00 0.00 C ATOM 762 C HIS A 50 0.011 11.366 -5.369 1.00 0.00 C ATOM 763 O HIS A 50 0.971 11.194 -4.624 1.00 0.00 O ATOM 764 CB HIS A 50 -2.001 11.719 -3.907 1.00 0.00 C ATOM 765 CG HIS A 50 -2.394 13.075 -4.407 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.480 14.015 -4.833 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.615 13.649 -4.550 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.118 15.107 -5.215 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.413 14.910 -5.055 1.00 0.00 N ATOM 0 H HIS A 50 -1.518 9.328 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.016 10.822 -5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.885 11.218 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.303 11.836 -3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.567 13.199 -4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.658 16.008 -5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.146 15.586 -5.272 1.00 0.00 H new ATOM 778 N PRO A 51 0.131 12.010 -6.543 1.00 0.00 N ATOM 779 CA PRO A 51 1.409 12.536 -7.033 1.00 0.00 C ATOM 780 C PRO A 51 2.207 13.297 -5.976 1.00 0.00 C ATOM 781 O PRO A 51 3.343 12.935 -5.667 1.00 0.00 O ATOM 782 CB PRO A 51 0.982 13.459 -8.167 1.00 0.00 C ATOM 783 CG PRO A 51 -0.254 12.826 -8.693 1.00 0.00 C ATOM 784 CD PRO A 51 -0.966 12.295 -7.485 1.00 0.00 C ATOM 0 HA PRO A 51 2.085 11.736 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.792 14.471 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.752 13.532 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.870 13.549 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.019 12.026 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.666 13.024 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.539 11.398 -7.718 1.00 0.00 H new ATOM 792 N GLU A 52 1.607 14.346 -5.424 1.00 0.00 N ATOM 793 CA GLU A 52 2.265 15.164 -4.411 1.00 0.00 C ATOM 794 C GLU A 52 2.689 14.334 -3.200 1.00 0.00 C ATOM 795 O GLU A 52 3.498 14.778 -2.385 1.00 0.00 O ATOM 796 CB GLU A 52 1.327 16.282 -3.963 1.00 0.00 C ATOM 797 CG GLU A 52 0.914 17.217 -5.086 1.00 0.00 C ATOM 798 CD GLU A 52 0.041 18.358 -4.601 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.196 18.190 -4.576 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.596 19.420 -4.247 1.00 0.00 O ATOM 0 H GLU A 52 0.663 14.651 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 52 3.164 15.588 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.433 15.840 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.815 16.862 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.806 17.624 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.377 16.651 -5.847 1.00 0.00 H new ATOM 807 N ASP A 53 2.138 13.131 -3.088 1.00 0.00 N ATOM 808 CA ASP A 53 2.445 12.248 -1.971 1.00 0.00 C ATOM 809 C ASP A 53 3.357 11.087 -2.371 1.00 0.00 C ATOM 810 O ASP A 53 3.935 10.433 -1.504 1.00 0.00 O ATOM 811 CB ASP A 53 1.150 11.699 -1.373 1.00 0.00 C ATOM 812 CG ASP A 53 0.271 12.791 -0.793 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.547 13.358 -1.546 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.400 13.077 0.417 1.00 0.00 O ATOM 0 H ASP A 53 1.475 12.745 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 53 2.981 12.842 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.597 11.162 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.391 10.978 -0.592 1.00 0.00 H new ATOM 819 N GLN A 54 3.490 10.818 -3.673 1.00 0.00 N ATOM 820 CA GLN A 54 4.336 9.725 -4.123 1.00 0.00 C ATOM 821 C GLN A 54 5.771 9.937 -3.674 1.00 0.00 C ATOM 822 O GLN A 54 6.483 8.982 -3.373 1.00 0.00 O ATOM 823 CB GLN A 54 4.292 9.580 -5.638 1.00 0.00 C ATOM 824 CG GLN A 54 2.897 9.599 -6.219 1.00 0.00 C ATOM 825 CD GLN A 54 2.896 9.471 -7.729 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.841 9.886 -8.400 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.832 8.897 -8.272 1.00 0.00 N ATOM 0 H GLN A 54 3.027 11.337 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 54 3.952 8.809 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.872 10.387 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.778 8.645 -5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.316 8.784 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.401 10.528 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.071 8.567 -7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.774 8.785 -9.284 1.00 0.00 H new ATOM 836 N GLN A 55 6.195 11.193 -3.640 1.00 0.00 N ATOM 837 CA GLN A 55 7.548 11.521 -3.218 1.00 0.00 C ATOM 838 C GLN A 55 7.776 11.074 -1.782 1.00 0.00 C ATOM 839 O GLN A 55 8.889 10.723 -1.395 1.00 0.00 O ATOM 840 CB GLN A 55 7.802 13.023 -3.348 1.00 0.00 C ATOM 841 CG GLN A 55 9.239 13.424 -3.054 1.00 0.00 C ATOM 842 CD GLN A 55 10.230 12.780 -4.003 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.525 13.318 -5.070 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.753 11.624 -3.615 1.00 0.00 N ATOM 0 H GLN A 55 5.624 11.998 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 55 8.248 10.993 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.544 13.341 -4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.138 13.556 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.330 14.508 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.488 13.145 -2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.479 11.215 -2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.429 11.145 -4.210 1.00 0.00 H new ATOM 853 N LEU A 56 6.702 11.085 -1.001 1.00 0.00 N ATOM 854 CA LEU A 56 6.749 10.683 0.388 1.00 0.00 C ATOM 855 C LEU A 56 6.726 9.169 0.490 1.00 0.00 C ATOM 856 O LEU A 56 7.398 8.576 1.334 1.00 0.00 O ATOM 857 CB LEU A 56 5.560 11.289 1.137 1.00 0.00 C ATOM 858 CG LEU A 56 5.206 10.627 2.467 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.606 11.513 3.635 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.719 10.315 2.507 1.00 0.00 C ATOM 0 H LEU A 56 5.777 11.374 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 56 7.672 11.046 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.770 12.343 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.686 11.247 0.487 1.00 0.00 H new ATOM 0 HG LEU A 56 5.762 9.694 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.344 11.021 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.681 11.690 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.080 12.465 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.472 9.843 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.150 11.239 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.467 9.639 1.690 1.00 0.00 H new ATOM 872 N LEU A 57 5.941 8.552 -0.381 1.00 0.00 N ATOM 873 CA LEU A 57 5.826 7.106 -0.411 1.00 0.00 C ATOM 874 C LEU A 57 7.163 6.492 -0.793 1.00 0.00 C ATOM 875 O LEU A 57 7.725 5.679 -0.060 1.00 0.00 O ATOM 876 CB LEU A 57 4.748 6.691 -1.409 1.00 0.00 C ATOM 877 CG LEU A 57 4.366 5.214 -1.372 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.001 4.802 0.041 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.216 4.937 -2.328 1.00 0.00 C ATOM 0 H LEU A 57 5.373 9.035 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 57 5.543 6.747 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.854 7.286 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.091 6.937 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 57 5.224 4.623 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.730 3.746 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.854 4.966 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.156 5.397 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.957 3.879 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.351 5.534 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.515 5.200 -3.343 1.00 0.00 H new ATOM 891 N ARG A 58 7.658 6.892 -1.954 1.00 0.00 N ATOM 892 CA ARG A 58 8.942 6.424 -2.446 1.00 0.00 C ATOM 893 C ARG A 58 10.023 6.712 -1.416 1.00 0.00 C ATOM 894 O ARG A 58 10.932 5.908 -1.214 1.00 0.00 O ATOM 895 CB ARG A 58 9.284 7.111 -3.770 1.00 0.00 C ATOM 896 CG ARG A 58 8.256 6.871 -4.862 1.00 0.00 C ATOM 897 CD ARG A 58 8.505 7.763 -6.068 1.00 0.00 C ATOM 898 NE ARG A 58 9.871 7.637 -6.572 1.00 0.00 N ATOM 899 CZ ARG A 58 10.306 8.231 -7.679 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.483 8.979 -8.403 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.566 8.076 -8.063 1.00 0.00 N ATOM 0 H ARG A 58 7.184 7.546 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 58 8.886 5.349 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.377 8.184 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.256 6.757 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.287 5.826 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.256 7.058 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.802 7.506 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.314 8.801 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 58 10.527 7.061 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.513 9.100 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.820 9.433 -9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.201 7.501 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.900 8.532 -8.912 1.00 0.00 H new ATOM 915 N ASP A 59 9.908 7.866 -0.762 1.00 0.00 N ATOM 916 CA ASP A 59 10.865 8.263 0.265 1.00 0.00 C ATOM 917 C ASP A 59 10.936 7.205 1.337 1.00 0.00 C ATOM 918 O ASP A 59 12.021 6.785 1.740 1.00 0.00 O ATOM 919 CB ASP A 59 10.474 9.603 0.878 1.00 0.00 C ATOM 920 CG ASP A 59 11.454 10.066 1.938 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.508 10.626 1.568 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.168 9.868 3.138 1.00 0.00 O ATOM 0 H ASP A 59 9.161 8.541 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 59 11.846 8.370 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.413 10.355 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.480 9.521 1.318 1.00 0.00 H new ATOM 927 N SER A 60 9.773 6.777 1.799 1.00 0.00 N ATOM 928 CA SER A 60 9.706 5.747 2.812 1.00 0.00 C ATOM 929 C SER A 60 10.525 4.544 2.369 1.00 0.00 C ATOM 930 O SER A 60 11.455 4.136 3.055 1.00 0.00 O ATOM 931 CB SER A 60 8.251 5.348 3.069 1.00 0.00 C ATOM 932 OG SER A 60 7.832 4.321 2.189 1.00 0.00 O ATOM 0 H SER A 60 8.867 7.128 1.488 1.00 0.00 H new ATOM 0 HA SER A 60 10.120 6.131 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.141 5.012 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.607 6.219 2.947 1.00 0.00 H new ATOM 0 HG SER A 60 7.485 4.719 1.364 1.00 0.00 H new ATOM 938 N PHE A 61 10.197 4.011 1.195 1.00 0.00 N ATOM 939 CA PHE A 61 10.903 2.858 0.653 1.00 0.00 C ATOM 940 C PHE A 61 12.398 3.111 0.605 1.00 0.00 C ATOM 941 O PHE A 61 13.195 2.199 0.823 1.00 0.00 O ATOM 942 CB PHE A 61 10.388 2.531 -0.748 1.00 0.00 C ATOM 943 CG PHE A 61 8.891 2.405 -0.816 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.180 1.855 0.241 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.196 2.840 -1.930 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.806 1.740 0.187 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.819 2.729 -1.990 1.00 0.00 C ATOM 948 CZ PHE A 61 6.125 2.179 -0.930 1.00 0.00 C ATOM 0 H PHE A 61 9.445 4.361 0.601 1.00 0.00 H new ATOM 0 HA PHE A 61 10.716 2.009 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.712 3.310 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.840 1.598 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.709 1.512 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.734 3.271 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.265 1.308 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.287 3.072 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.049 2.093 -0.975 1.00 0.00 H new ATOM 958 N GLN A 62 12.778 4.353 0.325 1.00 0.00 N ATOM 959 CA GLN A 62 14.183 4.706 0.250 1.00 0.00 C ATOM 960 C GLN A 62 14.812 4.623 1.627 1.00 0.00 C ATOM 961 O GLN A 62 15.979 4.272 1.767 1.00 0.00 O ATOM 962 CB GLN A 62 14.355 6.118 -0.316 1.00 0.00 C ATOM 963 CG GLN A 62 13.784 6.289 -1.713 1.00 0.00 C ATOM 964 CD GLN A 62 14.853 6.547 -2.756 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.988 6.090 -2.626 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.494 7.284 -3.802 1.00 0.00 N ATOM 0 H GLN A 62 12.135 5.124 0.148 1.00 0.00 H new ATOM 0 HA GLN A 62 14.681 4.002 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.873 6.830 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.416 6.366 -0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.226 5.393 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.076 7.118 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.542 7.643 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.171 7.490 -4.537 1.00 0.00 H new ATOM 975 N GLN A 63 14.022 4.930 2.645 1.00 0.00 N ATOM 976 CA GLN A 63 14.495 4.908 4.014 1.00 0.00 C ATOM 977 C GLN A 63 14.548 3.490 4.584 1.00 0.00 C ATOM 978 O GLN A 63 15.503 3.129 5.269 1.00 0.00 O ATOM 979 CB GLN A 63 13.591 5.786 4.860 1.00 0.00 C ATOM 980 CG GLN A 63 13.611 7.249 4.439 1.00 0.00 C ATOM 981 CD GLN A 63 14.984 7.877 4.579 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.789 7.852 3.649 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.258 8.445 5.748 1.00 0.00 N ATOM 0 H GLN A 63 13.043 5.199 2.543 1.00 0.00 H new ATOM 0 HA GLN A 63 15.515 5.292 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.569 5.411 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.896 5.711 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.283 7.330 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.897 7.807 5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.560 8.443 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.166 8.884 5.902 1.00 0.00 H new ATOM 992 N VAL A 64 13.521 2.687 4.306 1.00 0.00 N ATOM 993 CA VAL A 64 13.476 1.311 4.811 1.00 0.00 C ATOM 994 C VAL A 64 14.609 0.492 4.229 1.00 0.00 C ATOM 995 O VAL A 64 15.172 -0.379 4.889 1.00 0.00 O ATOM 996 CB VAL A 64 12.129 0.583 4.498 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.053 1.555 4.056 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.309 -0.508 3.444 1.00 0.00 C ATOM 0 H VAL A 64 12.717 2.959 3.741 1.00 0.00 H new ATOM 0 HA VAL A 64 13.573 1.391 5.894 1.00 0.00 H new ATOM 0 HB VAL A 64 11.808 0.115 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.133 1.009 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.873 2.283 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.379 2.073 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.351 -0.991 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.682 -0.064 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.023 -1.248 3.805 1.00 0.00 H new ATOM 1008 N VAL A 65 14.927 0.781 2.983 1.00 0.00 N ATOM 1009 CA VAL A 65 15.963 0.072 2.274 1.00 0.00 C ATOM 1010 C VAL A 65 17.342 0.615 2.634 1.00 0.00 C ATOM 1011 O VAL A 65 18.333 -0.113 2.613 1.00 0.00 O ATOM 1012 CB VAL A 65 15.719 0.170 0.764 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.031 1.569 0.253 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.516 -0.881 0.022 1.00 0.00 C ATOM 0 H VAL A 65 14.473 1.514 2.438 1.00 0.00 H new ATOM 0 HA VAL A 65 15.933 -0.977 2.570 1.00 0.00 H new ATOM 0 HB VAL A 65 14.663 -0.021 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.850 1.613 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.391 2.292 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.076 1.805 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.327 -0.793 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.579 -0.736 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.217 -1.872 0.363 1.00 0.00 H new ATOM 1024 N LYS A 66 17.395 1.901 2.962 1.00 0.00 N ATOM 1025 CA LYS A 66 18.645 2.537 3.358 1.00 0.00 C ATOM 1026 C LYS A 66 19.076 2.022 4.718 1.00 0.00 C ATOM 1027 O LYS A 66 20.251 1.741 4.956 1.00 0.00 O ATOM 1028 CB LYS A 66 18.471 4.051 3.431 1.00 0.00 C ATOM 1029 CG LYS A 66 18.732 4.758 2.113 1.00 0.00 C ATOM 1030 CD LYS A 66 18.380 6.235 2.189 1.00 0.00 C ATOM 1031 CE LYS A 66 19.276 6.978 3.170 1.00 0.00 C ATOM 1032 NZ LYS A 66 18.921 8.420 3.264 1.00 0.00 N ATOM 0 H LYS A 66 16.587 2.523 2.961 1.00 0.00 H new ATOM 0 HA LYS A 66 19.405 2.298 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.456 4.276 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.147 4.450 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.782 4.647 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.148 4.285 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.474 6.683 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.339 6.346 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.194 6.519 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.316 6.880 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.421 8.849 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.198 8.904 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.895 8.517 3.403 1.00 0.00 H new ATOM 1046 N LEU A 67 18.099 1.905 5.604 1.00 0.00 N ATOM 1047 CA LEU A 67 18.333 1.434 6.957 1.00 0.00 C ATOM 1048 C LEU A 67 18.116 -0.069 7.020 1.00 0.00 C ATOM 1049 O LEU A 67 18.309 -0.701 8.059 1.00 0.00 O ATOM 1050 CB LEU A 67 17.386 2.169 7.898 1.00 0.00 C ATOM 1051 CG LEU A 67 17.323 3.681 7.662 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.281 4.324 8.563 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.690 4.308 7.889 1.00 0.00 C ATOM 0 H LEU A 67 17.125 2.133 5.405 1.00 0.00 H new ATOM 0 HA LEU A 67 19.360 1.636 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.385 1.752 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.697 1.985 8.926 1.00 0.00 H new ATOM 0 HG LEU A 67 17.029 3.857 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.253 5.398 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.302 3.894 8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.540 4.142 9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.630 5.383 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.010 4.121 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.410 3.870 7.198 1.00 0.00 H new ATOM 1065 N LYS A 68 17.723 -0.617 5.874 1.00 0.00 N ATOM 1066 CA LYS A 68 17.466 -2.045 5.707 1.00 0.00 C ATOM 1067 C LYS A 68 16.862 -2.679 6.950 1.00 0.00 C ATOM 1068 O LYS A 68 17.572 -3.142 7.846 1.00 0.00 O ATOM 1069 CB LYS A 68 18.738 -2.780 5.312 1.00 0.00 C ATOM 1070 CG LYS A 68 18.507 -3.830 4.238 1.00 0.00 C ATOM 1071 CD LYS A 68 18.727 -3.267 2.845 1.00 0.00 C ATOM 1072 CE LYS A 68 17.698 -3.803 1.863 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.098 -3.554 0.450 1.00 0.00 N ATOM 0 H LYS A 68 17.572 -0.075 5.023 1.00 0.00 H new ATOM 0 HA LYS A 68 16.733 -2.138 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.472 -2.058 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.164 -3.258 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.181 -4.671 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.491 -4.215 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.670 -2.179 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.729 -3.523 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.569 -4.874 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.733 -3.334 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.263 -3.630 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.504 -2.600 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.807 -4.258 0.161 1.00 0.00 H new ATOM 1087 N GLY A 69 15.543 -2.698 6.980 1.00 0.00 N ATOM 1088 CA GLY A 69 14.817 -3.282 8.090 1.00 0.00 C ATOM 1089 C GLY A 69 13.980 -2.262 8.828 1.00 0.00 C ATOM 1090 O GLY A 69 12.883 -2.571 9.296 1.00 0.00 O ATOM 0 H GLY A 69 14.951 -2.313 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.172 -4.079 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.523 -3.739 8.783 1.00 0.00 H new ATOM 1094 N GLN A 70 14.497 -1.045 8.932 1.00 0.00 N ATOM 1095 CA GLN A 70 13.783 0.029 9.607 1.00 0.00 C ATOM 1096 C GLN A 70 12.464 0.299 8.898 1.00 0.00 C ATOM 1097 O GLN A 70 12.443 0.619 7.710 1.00 0.00 O ATOM 1098 CB GLN A 70 14.637 1.293 9.627 1.00 0.00 C ATOM 1099 CG GLN A 70 14.217 2.304 10.678 1.00 0.00 C ATOM 1100 CD GLN A 70 14.263 1.737 12.084 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.069 0.856 12.383 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.396 2.240 12.954 1.00 0.00 N ATOM 0 H GLN A 70 15.407 -0.778 8.558 1.00 0.00 H new ATOM 0 HA GLN A 70 13.577 -0.272 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.676 1.014 9.800 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.593 1.765 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.870 3.175 10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.206 2.648 10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.746 2.970 12.662 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.380 1.897 13.914 1.00 0.00 H new ATOM 1111 N VAL A 71 11.366 0.170 9.629 1.00 0.00 N ATOM 1112 CA VAL A 71 10.049 0.381 9.050 1.00 0.00 C ATOM 1113 C VAL A 71 9.698 1.864 8.961 1.00 0.00 C ATOM 1114 O VAL A 71 9.969 2.646 9.873 1.00 0.00 O ATOM 1115 CB VAL A 71 8.961 -0.380 9.833 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.591 0.347 11.118 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.739 -0.607 8.956 1.00 0.00 C ATOM 0 H VAL A 71 11.361 -0.078 10.618 1.00 0.00 H new ATOM 0 HA VAL A 71 10.085 -0.017 8.036 1.00 0.00 H new ATOM 0 HB VAL A 71 9.364 -1.352 10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.821 -0.216 11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.473 0.438 11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.213 1.341 10.878 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.979 -1.145 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.338 0.354 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.022 -1.193 8.082 1.00 0.00 H new ATOM 1127 N LEU A 72 9.099 2.228 7.836 1.00 0.00 N ATOM 1128 CA LEU A 72 8.701 3.592 7.551 1.00 0.00 C ATOM 1129 C LEU A 72 7.191 3.747 7.602 1.00 0.00 C ATOM 1130 O LEU A 72 6.452 2.865 7.167 1.00 0.00 O ATOM 1131 CB LEU A 72 9.181 3.970 6.156 1.00 0.00 C ATOM 1132 CG LEU A 72 10.606 4.507 6.052 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.636 5.981 6.392 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.554 3.724 6.948 1.00 0.00 C ATOM 0 H LEU A 72 8.874 1.572 7.088 1.00 0.00 H new ATOM 0 HA LEU A 72 9.146 4.242 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.099 3.091 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.502 4.722 5.753 1.00 0.00 H new ATOM 0 HG LEU A 72 10.945 4.381 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.658 6.352 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.998 6.528 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.274 6.127 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.562 4.129 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.226 3.806 7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.554 2.676 6.649 1.00 0.00 H new ATOM 1146 N SER A 73 6.739 4.871 8.136 1.00 0.00 N ATOM 1147 CA SER A 73 5.341 5.163 8.227 1.00 0.00 C ATOM 1148 C SER A 73 5.003 6.435 7.467 1.00 0.00 C ATOM 1149 O SER A 73 5.358 7.534 7.893 1.00 0.00 O ATOM 1150 CB SER A 73 4.992 5.320 9.690 1.00 0.00 C ATOM 1151 OG SER A 73 6.128 5.710 10.443 1.00 0.00 O ATOM 0 H SER A 73 7.343 5.600 8.516 1.00 0.00 H new ATOM 0 HA SER A 73 4.764 4.352 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.204 6.064 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.600 4.380 10.077 1.00 0.00 H new ATOM 0 HG SER A 73 5.878 5.807 11.386 1.00 0.00 H new ATOM 1157 N VAL A 74 4.314 6.286 6.340 1.00 0.00 N ATOM 1158 CA VAL A 74 3.937 7.447 5.535 1.00 0.00 C ATOM 1159 C VAL A 74 2.468 7.397 5.147 1.00 0.00 C ATOM 1160 O VAL A 74 1.958 6.350 4.752 1.00 0.00 O ATOM 1161 CB VAL A 74 4.779 7.551 4.246 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.253 7.725 4.567 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.556 6.333 3.373 1.00 0.00 C ATOM 0 H VAL A 74 4.008 5.388 5.966 1.00 0.00 H new ATOM 0 HA VAL A 74 4.125 8.322 6.157 1.00 0.00 H new ATOM 0 HB VAL A 74 4.455 8.435 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.821 7.795 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.394 8.636 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.603 6.869 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.156 6.420 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.850 5.436 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.502 6.266 3.105 1.00 0.00 H new ATOM 1173 N MET A 75 1.784 8.529 5.261 1.00 0.00 N ATOM 1174 CA MET A 75 0.383 8.585 4.886 1.00 0.00 C ATOM 1175 C MET A 75 0.239 9.160 3.497 1.00 0.00 C ATOM 1176 O MET A 75 0.764 10.232 3.197 1.00 0.00 O ATOM 1177 CB MET A 75 -0.444 9.418 5.855 1.00 0.00 C ATOM 1178 CG MET A 75 -0.621 8.779 7.213 1.00 0.00 C ATOM 1179 SD MET A 75 -1.997 9.486 8.135 1.00 0.00 S ATOM 1180 CE MET A 75 -3.368 8.969 7.106 1.00 0.00 C ATOM 0 H MET A 75 2.173 9.407 5.605 1.00 0.00 H new ATOM 0 HA MET A 75 0.007 7.562 4.914 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.032 10.391 5.981 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.426 9.598 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.783 7.708 7.089 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.297 8.897 7.789 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.302 9.327 7.538 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.248 9.384 6.105 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.389 7.881 7.048 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.474 8.445 2.654 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.685 8.896 1.287 1.00 0.00 C ATOM 1192 C PHE A 76 -2.097 8.589 0.808 1.00 0.00 C ATOM 1193 O PHE A 76 -2.811 7.791 1.408 1.00 0.00 O ATOM 1194 CB PHE A 76 0.327 8.235 0.358 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.003 6.805 0.046 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.292 5.791 0.944 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.613 6.474 -1.149 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.015 4.483 0.650 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.920 5.163 -1.444 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.618 4.168 -0.540 1.00 0.00 C ATOM 0 H PHE A 76 -0.916 7.555 2.884 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.549 9.977 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.380 8.800 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.315 8.282 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.768 6.030 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.852 7.251 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.220 3.702 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.396 4.916 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.856 3.140 -0.769 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.481 9.228 -0.286 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.800 9.029 -0.870 1.00 0.00 C ATOM 1212 C ARG A 77 -3.749 7.977 -1.976 1.00 0.00 C ATOM 1213 O ARG A 77 -3.214 8.222 -3.057 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.335 10.357 -1.407 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.806 11.298 -0.310 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.438 12.743 -0.604 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.134 13.267 -1.775 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.470 14.546 -1.921 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.179 15.425 -0.971 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.096 14.949 -3.019 1.00 0.00 N ATOM 0 H ARG A 77 -1.895 9.893 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.476 8.666 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.554 10.848 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.163 10.160 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.887 11.214 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.364 10.997 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.676 13.359 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.362 12.816 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.376 12.617 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.696 15.121 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.438 16.405 -1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.321 14.278 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.353 15.930 -3.129 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.304 6.801 -1.690 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.321 5.695 -2.645 1.00 0.00 C ATOM 1236 C PHE A 78 -5.571 5.734 -3.515 1.00 0.00 C ATOM 1237 O PHE A 78 -6.663 5.416 -3.045 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.285 4.347 -1.903 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.934 3.170 -2.785 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.837 2.676 -3.718 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.695 2.560 -2.679 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.502 1.599 -4.523 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.358 1.488 -3.481 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.261 1.007 -4.403 1.00 0.00 C ATOM 0 H PHE A 78 -4.751 6.589 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.440 5.800 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.560 4.409 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.259 4.169 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.809 3.136 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.981 2.929 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.212 1.223 -5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.386 1.027 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.999 0.168 -5.031 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.423 6.120 -4.780 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.564 6.129 -5.678 1.00 0.00 C ATOM 1256 C ARG A 79 -7.002 4.691 -5.870 1.00 0.00 C ATOM 1257 O ARG A 79 -6.379 3.935 -6.614 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.218 6.772 -7.022 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.388 6.814 -7.996 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.530 5.505 -8.748 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.319 5.651 -9.968 1.00 0.00 N ATOM 1262 CZ ARG A 79 -7.810 5.561 -11.193 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.513 5.337 -11.364 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.598 5.697 -12.252 1.00 0.00 N ATOM 0 H ARG A 79 -4.542 6.424 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.369 6.724 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.863 7.788 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.396 6.221 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.309 7.024 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.244 7.629 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.540 5.124 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.000 4.765 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.318 5.833 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.902 5.233 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.127 5.269 -12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.595 5.871 -12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.206 5.628 -13.191 1.00 0.00 H new ATOM 1278 N SER A 80 -8.063 4.314 -5.181 1.00 0.00 N ATOM 1279 CA SER A 80 -8.553 2.957 -5.234 1.00 0.00 C ATOM 1280 C SER A 80 -9.446 2.688 -6.438 1.00 0.00 C ATOM 1281 O SER A 80 -9.619 3.538 -7.309 1.00 0.00 O ATOM 1282 CB SER A 80 -9.284 2.652 -3.941 1.00 0.00 C ATOM 1283 OG SER A 80 -8.373 2.617 -2.860 1.00 0.00 O ATOM 0 H SER A 80 -8.601 4.935 -4.577 1.00 0.00 H new ATOM 0 HA SER A 80 -7.695 2.295 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.046 3.409 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.799 1.695 -4.023 1.00 0.00 H new ATOM 0 HG SER A 80 -7.851 3.446 -2.845 1.00 0.00 H new ATOM 1289 N LYS A 81 -9.991 1.476 -6.473 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.857 1.035 -7.548 1.00 0.00 C ATOM 1291 C LYS A 81 -12.090 1.930 -7.664 1.00 0.00 C ATOM 1292 O LYS A 81 -12.760 1.950 -8.697 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.268 -0.418 -7.309 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.809 -1.078 -8.547 1.00 0.00 C ATOM 1295 CD LYS A 81 -10.980 -2.283 -8.929 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.582 -2.998 -10.115 1.00 0.00 C ATOM 1297 NZ LYS A 81 -12.881 -3.642 -9.780 1.00 0.00 N ATOM 0 H LYS A 81 -9.840 0.772 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.310 1.104 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.407 -0.981 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.023 -0.453 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.842 -1.382 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.817 -0.363 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.963 -1.969 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.914 -2.967 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.729 -2.288 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.884 -3.755 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.142 -4.310 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.793 -4.154 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.618 -2.913 -9.693 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.378 2.672 -6.598 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.526 3.573 -6.579 1.00 0.00 C ATOM 1313 C ASN A 82 -13.142 4.952 -7.105 1.00 0.00 C ATOM 1314 O ASN A 82 -13.969 5.863 -7.154 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.085 3.697 -5.162 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.563 2.368 -4.610 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.727 2.001 -4.766 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -13.663 1.641 -3.960 1.00 0.00 N ATOM 0 H ASN A 82 -11.832 2.667 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.294 3.153 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.316 4.104 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.913 4.406 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.926 0.738 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.709 1.985 -3.855 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.877 5.090 -7.487 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.355 6.342 -8.021 1.00 0.00 C ATOM 1327 C GLN A 83 -11.413 7.444 -6.971 1.00 0.00 C ATOM 1328 O GLN A 83 -11.705 8.601 -7.279 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.139 6.751 -9.267 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.393 5.595 -10.219 1.00 0.00 C ATOM 1331 CD GLN A 83 -11.985 5.914 -11.643 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.059 7.062 -12.082 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.543 4.896 -12.372 1.00 0.00 N ATOM 0 H GLN A 83 -11.187 4.340 -7.435 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.311 6.190 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.094 7.180 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.591 7.533 -9.793 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.844 4.718 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.452 5.337 -10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.498 3.961 -11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.248 5.049 -13.336 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.125 7.072 -5.729 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.139 8.016 -4.621 1.00 0.00 C ATOM 1344 C GLU A 84 -9.813 7.984 -3.869 1.00 0.00 C ATOM 1345 O GLU A 84 -9.223 6.920 -3.685 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.283 7.686 -3.667 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.647 7.651 -4.335 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.765 7.328 -3.362 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.976 6.131 -3.078 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.428 8.272 -2.885 1.00 0.00 O ATOM 0 H GLU A 84 -10.878 6.118 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.285 9.018 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.090 6.718 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.300 8.425 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.844 8.616 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.638 6.908 -5.132 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.349 9.152 -3.439 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.095 9.247 -2.708 1.00 0.00 C ATOM 1359 C TRP A 85 -8.226 8.614 -1.325 1.00 0.00 C ATOM 1360 O TRP A 85 -8.561 9.286 -0.350 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.662 10.710 -2.587 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.169 11.301 -3.871 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.584 12.456 -4.462 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.160 10.761 -4.714 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.892 12.662 -5.633 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.009 11.629 -5.808 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.375 9.623 -4.640 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.091 11.383 -6.828 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.463 9.375 -5.647 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.328 10.253 -6.730 1.00 0.00 C ATOM 0 H TRP A 85 -9.823 10.044 -3.585 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.332 8.701 -3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.504 11.300 -2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.875 10.786 -1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.345 13.114 -4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.016 13.452 -6.266 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.474 8.941 -3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -4.987 12.059 -7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.845 8.491 -5.599 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.607 10.033 -7.503 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.960 7.315 -1.259 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.048 6.569 -0.009 1.00 0.00 C ATOM 1383 C LEU A 86 -6.825 6.800 0.868 1.00 0.00 C ATOM 1384 O LEU A 86 -5.763 6.236 0.614 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.179 5.069 -0.297 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.503 4.609 -0.924 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.795 3.177 -0.517 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.649 5.524 -0.518 1.00 0.00 C ATOM 0 H LEU A 86 -7.680 6.753 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.930 6.926 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.366 4.776 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.037 4.528 0.638 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.407 4.658 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.736 2.856 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.989 2.529 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.870 3.115 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.574 5.174 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.756 5.514 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.440 6.540 -0.853 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.971 7.613 1.911 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.854 7.876 2.803 1.00 0.00 C ATOM 1402 C TRP A 87 -5.409 6.591 3.465 1.00 0.00 C ATOM 1403 O TRP A 87 -6.209 5.866 4.054 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.213 8.908 3.862 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.884 10.307 3.448 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.759 11.246 2.987 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.585 10.923 3.437 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.091 12.410 2.690 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.758 12.237 2.956 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.292 10.498 3.785 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.694 13.124 2.813 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.243 11.385 3.639 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.448 12.681 3.157 1.00 0.00 C ATOM 0 H TRP A 87 -7.838 8.092 2.154 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.037 8.281 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.279 8.841 4.081 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.683 8.674 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.822 11.097 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.518 13.264 2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.122 9.499 4.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.848 14.127 2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.244 11.071 3.903 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.604 13.346 3.054 1.00 0.00 H new ATOM 1424 N MET A 88 -4.128 6.317 3.355 1.00 0.00 N ATOM 1425 CA MET A 88 -3.549 5.115 3.919 1.00 0.00 C ATOM 1426 C MET A 88 -2.231 5.403 4.599 1.00 0.00 C ATOM 1427 O MET A 88 -1.571 6.398 4.318 1.00 0.00 O ATOM 1428 CB MET A 88 -3.310 4.083 2.823 1.00 0.00 C ATOM 1429 CG MET A 88 -4.537 3.767 2.009 1.00 0.00 C ATOM 1430 SD MET A 88 -5.432 2.326 2.598 1.00 0.00 S ATOM 1431 CE MET A 88 -6.685 2.222 1.329 1.00 0.00 C ATOM 0 H MET A 88 -3.459 6.918 2.874 1.00 0.00 H new ATOM 0 HA MET A 88 -4.254 4.730 4.656 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.528 4.448 2.157 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.939 3.164 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.204 4.629 2.021 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.244 3.605 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.852 1.177 1.067 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.614 2.657 1.698 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.355 2.769 0.446 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.868 4.510 5.493 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.614 4.601 6.210 1.00 0.00 C ATOM 1443 C ARG A 89 0.233 3.393 5.848 1.00 0.00 C ATOM 1444 O ARG A 89 -0.181 2.256 6.070 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.857 4.626 7.716 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.844 5.688 8.156 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.378 6.367 9.428 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.493 5.495 10.593 1.00 0.00 N ATOM 1449 CZ ARG A 89 -1.113 5.846 11.819 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.595 7.047 12.040 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -1.254 4.996 12.827 1.00 0.00 N ATOM 0 H ARG A 89 -2.434 3.699 5.744 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.102 5.522 5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.223 3.649 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.092 4.791 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.962 6.429 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.822 5.236 8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.340 6.680 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.966 7.270 9.592 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.887 4.564 10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.487 7.706 11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.305 7.312 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.654 4.072 12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.962 5.266 13.766 1.00 0.00 H new ATOM 1465 N THR A 90 1.413 3.624 5.298 1.00 0.00 N ATOM 1466 CA THR A 90 2.259 2.516 4.880 1.00 0.00 C ATOM 1467 C THR A 90 3.282 2.118 5.921 1.00 0.00 C ATOM 1468 O THR A 90 3.912 2.970 6.554 1.00 0.00 O ATOM 1469 CB THR A 90 3.029 2.830 3.594 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.264 3.477 3.908 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.209 3.707 2.682 1.00 0.00 C ATOM 0 H THR A 90 1.803 4.552 5.132 1.00 0.00 H new ATOM 0 HA THR A 90 1.561 1.694 4.722 1.00 0.00 H new ATOM 0 HB THR A 90 3.236 1.891 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.011 2.895 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.775 3.918 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.283 3.195 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.976 4.643 3.190 1.00 0.00 H new ATOM 1479 N SER A 91 3.432 0.806 6.068 1.00 0.00 N ATOM 1480 CA SER A 91 4.408 0.217 6.964 1.00 0.00 C ATOM 1481 C SER A 91 5.463 -0.466 6.104 1.00 0.00 C ATOM 1482 O SER A 91 5.547 -1.694 6.049 1.00 0.00 O ATOM 1483 CB SER A 91 3.736 -0.787 7.905 1.00 0.00 C ATOM 1484 OG SER A 91 3.429 -0.191 9.154 1.00 0.00 O ATOM 0 H SER A 91 2.872 0.120 5.562 1.00 0.00 H new ATOM 0 HA SER A 91 4.868 0.983 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.823 -1.166 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.394 -1.642 8.059 1.00 0.00 H new ATOM 0 HG SER A 91 2.999 -0.853 9.735 1.00 0.00 H new ATOM 1490 N SER A 92 6.247 0.357 5.413 1.00 0.00 N ATOM 1491 CA SER A 92 7.274 -0.125 4.497 1.00 0.00 C ATOM 1492 C SER A 92 8.560 -0.507 5.210 1.00 0.00 C ATOM 1493 O SER A 92 9.146 0.284 5.936 1.00 0.00 O ATOM 1494 CB SER A 92 7.569 0.945 3.451 1.00 0.00 C ATOM 1495 OG SER A 92 6.424 1.739 3.200 1.00 0.00 O ATOM 0 H SER A 92 6.188 1.374 5.473 1.00 0.00 H new ATOM 0 HA SER A 92 6.887 -1.026 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.387 1.578 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.898 0.473 2.525 1.00 0.00 H new ATOM 0 HG SER A 92 6.527 2.199 2.341 1.00 0.00 H new ATOM 1501 N GLN A 93 8.994 -1.729 4.977 1.00 0.00 N ATOM 1502 CA GLN A 93 10.218 -2.238 5.567 1.00 0.00 C ATOM 1503 C GLN A 93 10.695 -3.442 4.779 1.00 0.00 C ATOM 1504 O GLN A 93 9.889 -4.158 4.195 1.00 0.00 O ATOM 1505 CB GLN A 93 10.004 -2.605 7.028 1.00 0.00 C ATOM 1506 CG GLN A 93 8.959 -3.682 7.247 1.00 0.00 C ATOM 1507 CD GLN A 93 8.817 -4.042 8.707 1.00 0.00 C ATOM 1508 OE1 GLN A 93 9.897 -3.861 9.451 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 7.756 -4.469 9.159 1.00 0.00 N flip ATOM 0 H GLN A 93 8.511 -2.396 4.376 1.00 0.00 H new ATOM 0 HA GLN A 93 10.980 -1.459 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.951 -2.941 7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.710 -1.711 7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.998 -3.339 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.230 -4.572 6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.952 -4.591 8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.680 -4.701 10.149 1.00 0.00 H new ATOM 1518 N THR A 94 11.998 -3.668 4.770 1.00 0.00 N ATOM 1519 CA THR A 94 12.569 -4.773 4.018 1.00 0.00 C ATOM 1520 C THR A 94 11.809 -6.068 4.251 1.00 0.00 C ATOM 1521 O THR A 94 11.713 -6.563 5.374 1.00 0.00 O ATOM 1522 CB THR A 94 14.050 -4.961 4.364 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.183 -5.544 5.667 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.757 -3.617 4.329 1.00 0.00 C ATOM 0 H THR A 94 12.680 -3.102 5.274 1.00 0.00 H new ATOM 0 HA THR A 94 12.482 -4.520 2.961 1.00 0.00 H new ATOM 0 HB THR A 94 14.503 -5.628 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.441 -6.164 5.825 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.810 -3.753 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.671 -3.186 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.298 -2.946 5.055 1.00 0.00 H new ATOM 1532 N ALA A 95 11.262 -6.594 3.161 1.00 0.00 N ATOM 1533 CA ALA A 95 10.487 -7.825 3.183 1.00 0.00 C ATOM 1534 C ALA A 95 11.198 -8.949 3.933 1.00 0.00 C ATOM 1535 O ALA A 95 12.375 -8.841 4.274 1.00 0.00 O ATOM 1536 CB ALA A 95 10.180 -8.257 1.761 1.00 0.00 C ATOM 0 H ALA A 95 11.345 -6.176 2.234 1.00 0.00 H new ATOM 0 HA ALA A 95 9.560 -7.622 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.599 -9.179 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.607 -7.477 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.113 -8.425 1.223 1.00 0.00 H new ATOM 1542 N GLN A 96 10.466 -10.031 4.172 1.00 0.00 N ATOM 1543 CA GLN A 96 10.998 -11.183 4.883 1.00 0.00 C ATOM 1544 C GLN A 96 12.124 -11.851 4.107 1.00 0.00 C ATOM 1545 O GLN A 96 13.294 -11.490 4.251 1.00 0.00 O ATOM 1546 CB GLN A 96 9.876 -12.181 5.149 1.00 0.00 C ATOM 1547 CG GLN A 96 8.616 -11.530 5.688 1.00 0.00 C ATOM 1548 CD GLN A 96 8.696 -11.241 7.174 1.00 0.00 C ATOM 1549 OE1 GLN A 96 9.141 -10.170 7.587 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.262 -12.197 7.985 1.00 0.00 N ATOM 0 H GLN A 96 9.494 -10.133 3.880 1.00 0.00 H new ATOM 0 HA GLN A 96 11.413 -10.837 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.639 -12.707 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.224 -12.929 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.434 -10.599 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.764 -12.182 5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.901 -13.069 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.289 -12.060 8.995 1.00 0.00 H new ATOM 1619 N ASP A 101 15.625 -8.246 0.098 1.00 0.00 N ATOM 1620 CA ASP A 101 16.136 -7.085 -0.622 1.00 0.00 C ATOM 1621 C ASP A 101 14.983 -6.211 -1.102 1.00 0.00 C ATOM 1622 O ASP A 101 15.192 -5.154 -1.697 1.00 0.00 O ATOM 1623 CB ASP A 101 16.992 -7.528 -1.811 1.00 0.00 C ATOM 1624 CG ASP A 101 18.228 -8.294 -1.380 1.00 0.00 C ATOM 1625 OD1 ASP A 101 19.215 -7.646 -0.973 1.00 0.00 O ATOM 1626 OD2 ASP A 101 18.208 -9.541 -1.447 1.00 0.00 O ATOM 0 HA ASP A 101 16.758 -6.503 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.393 -8.153 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.293 -6.652 -2.385 1.00 0.00 H new ATOM 1631 N GLU A 102 13.763 -6.669 -0.834 1.00 0.00 N ATOM 1632 CA GLU A 102 12.560 -5.942 -1.224 1.00 0.00 C ATOM 1633 C GLU A 102 12.079 -5.043 -0.107 1.00 0.00 C ATOM 1634 O GLU A 102 12.836 -4.671 0.788 1.00 0.00 O ATOM 1635 CB GLU A 102 11.428 -6.903 -1.575 1.00 0.00 C ATOM 1636 CG GLU A 102 11.725 -7.777 -2.760 1.00 0.00 C ATOM 1637 CD GLU A 102 10.508 -8.014 -3.626 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.895 -7.019 -4.061 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.169 -9.191 -3.872 1.00 0.00 O ATOM 0 H GLU A 102 13.582 -7.546 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 102 12.824 -5.343 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.219 -7.535 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.524 -6.328 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.509 -7.315 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.112 -8.735 -2.413 1.00 0.00 H new ATOM 1646 N ILE A 103 10.799 -4.709 -0.181 1.00 0.00 N ATOM 1647 CA ILE A 103 10.166 -3.858 0.812 1.00 0.00 C ATOM 1648 C ILE A 103 8.699 -4.221 0.997 1.00 0.00 C ATOM 1649 O ILE A 103 7.848 -3.870 0.178 1.00 0.00 O ATOM 1650 CB ILE A 103 10.266 -2.366 0.422 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.730 -1.957 0.247 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.562 -1.483 1.454 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.921 -0.587 -0.364 1.00 0.00 C ATOM 0 H ILE A 103 10.175 -5.018 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 103 10.699 -4.021 1.749 1.00 0.00 H new ATOM 0 HB ILE A 103 9.759 -2.224 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.221 -1.981 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.230 -2.695 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.647 -0.438 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.509 -1.760 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.028 -1.622 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.986 -0.374 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.462 -0.562 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.453 0.164 0.273 1.00 0.00 H new ATOM 1665 N GLU A 104 8.420 -4.941 2.074 1.00 0.00 N ATOM 1666 CA GLU A 104 7.074 -5.330 2.414 1.00 0.00 C ATOM 1667 C GLU A 104 6.360 -4.149 3.054 1.00 0.00 C ATOM 1668 O GLU A 104 6.677 -3.744 4.174 1.00 0.00 O ATOM 1669 CB GLU A 104 7.121 -6.526 3.352 1.00 0.00 C ATOM 1670 CG GLU A 104 5.827 -6.766 4.076 1.00 0.00 C ATOM 1671 CD GLU A 104 5.781 -8.110 4.777 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.210 -8.184 5.947 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.317 -9.089 4.154 1.00 0.00 O ATOM 0 H GLU A 104 9.127 -5.268 2.733 1.00 0.00 H new ATOM 0 HA GLU A 104 6.522 -5.620 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.380 -7.417 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.915 -6.374 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.675 -5.974 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.003 -6.704 3.366 1.00 0.00 H new ATOM 1680 N THR A 105 5.400 -3.602 2.328 1.00 0.00 N ATOM 1681 CA THR A 105 4.657 -2.435 2.785 1.00 0.00 C ATOM 1682 C THR A 105 3.214 -2.774 3.143 1.00 0.00 C ATOM 1683 O THR A 105 2.472 -3.323 2.329 1.00 0.00 O ATOM 1684 CB THR A 105 4.683 -1.334 1.703 1.00 0.00 C ATOM 1685 OG1 THR A 105 5.977 -0.726 1.675 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.626 -0.266 1.948 1.00 0.00 C ATOM 0 H THR A 105 5.114 -3.949 1.413 1.00 0.00 H new ATOM 0 HA THR A 105 5.144 -2.075 3.691 1.00 0.00 H new ATOM 0 HB THR A 105 4.463 -1.805 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.188 -0.449 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.681 0.488 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.637 -0.725 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.802 0.205 2.915 1.00 0.00 H new ATOM 1694 N ILE A 106 2.824 -2.437 4.373 1.00 0.00 N ATOM 1695 CA ILE A 106 1.463 -2.686 4.836 1.00 0.00 C ATOM 1696 C ILE A 106 0.624 -1.420 4.739 1.00 0.00 C ATOM 1697 O ILE A 106 0.740 -0.520 5.572 1.00 0.00 O ATOM 1698 CB ILE A 106 1.419 -3.195 6.291 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.087 -4.567 6.401 1.00 0.00 C ATOM 1700 CG2 ILE A 106 -0.025 -3.263 6.785 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.598 -4.513 6.349 1.00 0.00 C ATOM 0 H ILE A 106 3.430 -1.993 5.062 1.00 0.00 H new ATOM 0 HA ILE A 106 1.056 -3.462 4.187 1.00 0.00 H new ATOM 0 HB ILE A 106 1.969 -2.495 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.781 -5.037 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.727 -5.203 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.041 -3.624 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.471 -2.270 6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.594 -3.944 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.001 -5.522 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.914 -4.073 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.969 -3.905 7.174 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.215 -1.355 3.717 1.00 0.00 N ATOM 1714 CA ILE A 107 -1.072 -0.201 3.512 1.00 0.00 C ATOM 1715 C ILE A 107 -2.348 -0.297 4.349 1.00 0.00 C ATOM 1716 O ILE A 107 -3.229 -1.104 4.056 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.437 -0.057 2.034 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.163 0.117 1.212 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.378 1.119 1.839 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.390 0.023 -0.273 1.00 0.00 C ATOM 0 H ILE A 107 -0.320 -2.089 3.017 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.515 0.679 3.833 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.951 -0.956 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.280 1.086 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.559 -0.643 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.631 1.211 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.288 0.957 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.892 2.034 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.558 0.156 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.804 -0.955 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.088 0.800 -0.584 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.445 0.539 5.380 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.607 0.539 6.268 1.00 0.00 C ATOM 1734 C CYS A 108 -4.532 1.721 5.990 1.00 0.00 C ATOM 1735 O CYS A 108 -4.086 2.860 5.880 1.00 0.00 O ATOM 1736 CB CYS A 108 -3.147 0.576 7.727 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.480 0.831 8.921 1.00 0.00 S ATOM 0 H CYS A 108 -1.732 1.227 5.622 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.168 -0.377 6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.641 -0.361 7.960 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.413 1.373 7.844 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.530 0.160 8.549 1.00 0.00 H new ATOM 1743 N THR A 109 -5.828 1.439 5.885 1.00 0.00 N ATOM 1744 CA THR A 109 -6.825 2.476 5.626 1.00 0.00 C ATOM 1745 C THR A 109 -6.912 3.466 6.784 1.00 0.00 C ATOM 1746 O THR A 109 -6.828 3.082 7.950 1.00 0.00 O ATOM 1747 CB THR A 109 -8.219 1.863 5.395 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.614 1.098 6.541 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.222 0.976 4.163 1.00 0.00 C ATOM 0 H THR A 109 -6.214 0.499 5.975 1.00 0.00 H new ATOM 0 HA THR A 109 -6.505 3.001 4.726 1.00 0.00 H new ATOM 0 HB THR A 109 -8.928 2.676 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.502 0.713 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.217 0.555 4.021 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.950 1.567 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.501 0.169 4.294 1.00 0.00 H new ATOM 1757 N ASN A 110 -7.083 4.742 6.450 1.00 0.00 N ATOM 1758 CA ASN A 110 -7.191 5.795 7.457 1.00 0.00 C ATOM 1759 C ASN A 110 -8.302 6.775 7.095 1.00 0.00 C ATOM 1760 O ASN A 110 -8.072 7.745 6.371 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.868 6.550 7.576 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.751 7.310 8.885 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -4.531 7.420 9.401 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -6.746 7.790 9.428 1.00 0.00 N flip ATOM 0 H ASN A 110 -7.150 5.073 5.488 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.429 5.327 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.041 5.844 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.775 7.248 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.664 7.682 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -6.652 8.296 10.309 1.00 0.00 H new