USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 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 101 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.91) USER MOD Set 1.2: A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 HIS : no HD1:sc= -5.85! C(o=-7.1!,f=-19!) USER MOD Set 3.2: A 116 LYS NZ :NH3+ 141:sc= -1.21! (180deg=-3.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 11:sc= 0.135 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -97:sc= 1.12 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.3!) USER MOD Single : A 31 TYR OH : rot -80:sc= 0.117 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -52:sc= -1.52 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.29 F(o=-3.2,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.35) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00316 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0401 K(o=-0.04,f=-1) USER MOD Single : A 89 THR OG1 : rot -108:sc= 0.616 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 110 LYS NZ :NH3+ -157:sc= 0.942 (180deg=0.608) USER MOD Single : A 111 SER OG : rot 180:sc= -0.306 USER MOD Single : A 114 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.021) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.874 26.031 8.257 1.00 0.00 N ATOM 2 CA GLY A 1 20.194 24.795 7.919 1.00 0.00 C ATOM 3 C GLY A 1 18.755 25.021 7.497 1.00 0.00 C ATOM 4 O GLY A 1 17.922 25.431 8.305 1.00 0.00 O ATOM 0 H1 GLY A 1 21.853 25.823 8.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.878 26.662 7.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.379 26.496 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.732 24.297 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.216 24.125 8.778 1.00 0.00 H new ATOM 8 N SER A 2 18.463 24.754 6.228 1.00 0.00 N ATOM 9 CA SER A 2 17.117 24.937 5.699 1.00 0.00 C ATOM 10 C SER A 2 16.592 23.639 5.092 1.00 0.00 C ATOM 11 O SER A 2 15.587 23.091 5.545 1.00 0.00 O ATOM 12 CB SER A 2 17.105 26.047 4.647 1.00 0.00 C ATOM 13 OG SER A 2 15.905 26.023 3.893 1.00 0.00 O ATOM 0 H SER A 2 19.141 24.410 5.547 1.00 0.00 H new ATOM 0 HA SER A 2 16.465 25.223 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.212 27.016 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.959 25.930 3.980 1.00 0.00 H new ATOM 0 HG SER A 2 15.922 26.743 3.229 1.00 0.00 H new ATOM 19 N SER A 3 17.279 23.154 4.063 1.00 0.00 N ATOM 20 CA SER A 3 16.881 21.923 3.390 1.00 0.00 C ATOM 21 C SER A 3 18.103 21.161 2.885 1.00 0.00 C ATOM 22 O SER A 3 18.902 21.688 2.113 1.00 0.00 O ATOM 23 CB SER A 3 15.943 22.236 2.223 1.00 0.00 C ATOM 24 OG SER A 3 14.622 22.469 2.679 1.00 0.00 O ATOM 0 H SER A 3 18.114 23.595 3.677 1.00 0.00 H new ATOM 0 HA SER A 3 16.356 21.296 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.306 23.112 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.946 21.406 1.517 1.00 0.00 H new ATOM 0 HG SER A 3 14.624 22.559 3.655 1.00 0.00 H new ATOM 30 N GLY A 4 18.239 19.914 3.328 1.00 0.00 N ATOM 31 CA GLY A 4 19.365 19.098 2.911 1.00 0.00 C ATOM 32 C GLY A 4 19.150 18.466 1.550 1.00 0.00 C ATOM 33 O GLY A 4 20.024 18.528 0.685 1.00 0.00 O ATOM 0 H GLY A 4 17.590 19.455 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.265 19.712 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.535 18.314 3.649 1.00 0.00 H new ATOM 37 N SER A 5 17.986 17.855 1.360 1.00 0.00 N ATOM 38 CA SER A 5 17.661 17.204 0.097 1.00 0.00 C ATOM 39 C SER A 5 18.256 17.973 -1.079 1.00 0.00 C ATOM 40 O SER A 5 18.827 17.382 -1.997 1.00 0.00 O ATOM 41 CB SER A 5 16.145 17.090 -0.069 1.00 0.00 C ATOM 42 OG SER A 5 15.808 16.577 -1.346 1.00 0.00 O ATOM 0 H SER A 5 17.251 17.797 2.065 1.00 0.00 H new ATOM 0 HA SER A 5 18.093 16.203 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.739 16.440 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.687 18.070 0.065 1.00 0.00 H new ATOM 0 HG SER A 5 14.833 16.513 -1.426 1.00 0.00 H new ATOM 48 N SER A 6 18.119 19.294 -1.044 1.00 0.00 N ATOM 49 CA SER A 6 18.639 20.145 -2.108 1.00 0.00 C ATOM 50 C SER A 6 19.978 19.621 -2.617 1.00 0.00 C ATOM 51 O SER A 6 20.945 19.521 -1.864 1.00 0.00 O ATOM 52 CB SER A 6 18.797 21.583 -1.608 1.00 0.00 C ATOM 53 OG SER A 6 19.692 21.646 -0.511 1.00 0.00 O ATOM 0 H SER A 6 17.652 19.799 -0.290 1.00 0.00 H new ATOM 0 HA SER A 6 17.926 20.131 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.164 22.215 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.825 21.977 -1.311 1.00 0.00 H new ATOM 0 HG SER A 6 19.183 21.651 0.326 1.00 0.00 H new ATOM 59 N GLY A 7 20.025 19.288 -3.904 1.00 0.00 N ATOM 60 CA GLY A 7 21.250 18.778 -4.493 1.00 0.00 C ATOM 61 C GLY A 7 21.354 17.268 -4.398 1.00 0.00 C ATOM 62 O GLY A 7 21.529 16.719 -3.310 1.00 0.00 O ATOM 0 H GLY A 7 19.238 19.362 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.298 19.077 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.106 19.230 -3.992 1.00 0.00 H new ATOM 66 N ARG A 8 21.244 16.596 -5.539 1.00 0.00 N ATOM 67 CA ARG A 8 21.324 15.141 -5.580 1.00 0.00 C ATOM 68 C ARG A 8 22.778 14.677 -5.593 1.00 0.00 C ATOM 69 O ARG A 8 23.139 13.754 -6.325 1.00 0.00 O ATOM 70 CB ARG A 8 20.594 14.603 -6.812 1.00 0.00 C ATOM 71 CG ARG A 8 21.165 15.108 -8.127 1.00 0.00 C ATOM 72 CD ARG A 8 20.420 14.525 -9.318 1.00 0.00 C ATOM 73 NE ARG A 8 20.574 15.347 -10.515 1.00 0.00 N ATOM 74 CZ ARG A 8 19.787 15.248 -11.580 1.00 0.00 C ATOM 75 NH1 ARG A 8 18.795 14.369 -11.596 1.00 0.00 N ATOM 76 NH2 ARG A 8 19.990 16.031 -12.632 1.00 0.00 N ATOM 0 H ARG A 8 21.099 17.036 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 8 20.844 14.750 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.636 13.514 -6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.542 14.882 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.106 16.196 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.221 14.844 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.788 13.519 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.361 14.434 -9.074 1.00 0.00 H new ATOM 0 HE ARG A 8 21.327 16.035 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.635 13.766 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.192 14.295 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.751 16.710 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.385 15.954 -13.449 1.00 0.00 H new ATOM 90 N LEU A 9 23.607 15.322 -4.780 1.00 0.00 N ATOM 91 CA LEU A 9 25.022 14.976 -4.698 1.00 0.00 C ATOM 92 C LEU A 9 25.204 13.531 -4.245 1.00 0.00 C ATOM 93 O LEU A 9 25.776 12.711 -4.964 1.00 0.00 O ATOM 94 CB LEU A 9 25.743 15.919 -3.734 1.00 0.00 C ATOM 95 CG LEU A 9 27.218 16.189 -4.036 1.00 0.00 C ATOM 96 CD1 LEU A 9 27.987 14.882 -4.147 1.00 0.00 C ATOM 97 CD2 LEU A 9 27.360 17.004 -5.313 1.00 0.00 C ATOM 0 H LEU A 9 23.324 16.087 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 9 25.455 15.083 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 9 25.214 16.872 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 9 25.669 15.505 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 9 27.639 16.766 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.034 15.093 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.913 14.335 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.566 14.279 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.416 17.187 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 26.923 16.454 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.843 17.956 -5.196 1.00 0.00 H new ATOM 109 N LEU A 10 24.712 13.225 -3.050 1.00 0.00 N ATOM 110 CA LEU A 10 24.818 11.878 -2.500 1.00 0.00 C ATOM 111 C LEU A 10 23.447 11.345 -2.096 1.00 0.00 C ATOM 112 O LEU A 10 22.740 11.963 -1.300 1.00 0.00 O ATOM 113 CB LEU A 10 25.757 11.870 -1.293 1.00 0.00 C ATOM 114 CG LEU A 10 26.474 10.550 -1.009 1.00 0.00 C ATOM 115 CD1 LEU A 10 27.588 10.320 -2.019 1.00 0.00 C ATOM 116 CD2 LEU A 10 27.027 10.537 0.409 1.00 0.00 C ATOM 0 H LEU A 10 24.235 13.892 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 10 25.226 11.228 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 10 26.509 12.645 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 10 25.182 12.146 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 10 25.752 9.739 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 10 28.087 9.376 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 10 27.167 10.284 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 10 28.309 11.135 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 10 27.534 9.590 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 10 27.735 11.357 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 10 26.209 10.655 1.120 1.00 0.00 H new ATOM 128 N ASP A 11 23.078 10.195 -2.649 1.00 0.00 N ATOM 129 CA ASP A 11 21.793 9.577 -2.343 1.00 0.00 C ATOM 130 C ASP A 11 21.672 8.213 -3.017 1.00 0.00 C ATOM 131 O ASP A 11 21.602 8.119 -4.243 1.00 0.00 O ATOM 132 CB ASP A 11 20.647 10.485 -2.792 1.00 0.00 C ATOM 133 CG ASP A 11 21.031 11.365 -3.965 1.00 0.00 C ATOM 134 OD1 ASP A 11 21.552 10.828 -4.965 1.00 0.00 O ATOM 135 OD2 ASP A 11 20.809 12.591 -3.884 1.00 0.00 O ATOM 0 H ASP A 11 23.650 9.672 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 11 21.733 9.436 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.788 9.872 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 11 20.336 11.113 -1.957 1.00 0.00 H new ATOM 140 N LEU A 12 21.649 7.160 -2.208 1.00 0.00 N ATOM 141 CA LEU A 12 21.538 5.800 -2.725 1.00 0.00 C ATOM 142 C LEU A 12 20.076 5.405 -2.907 1.00 0.00 C ATOM 143 O LEU A 12 19.678 4.290 -2.571 1.00 0.00 O ATOM 144 CB LEU A 12 22.231 4.816 -1.781 1.00 0.00 C ATOM 145 CG LEU A 12 23.728 5.034 -1.565 1.00 0.00 C ATOM 146 CD1 LEU A 12 24.145 4.546 -0.187 1.00 0.00 C ATOM 147 CD2 LEU A 12 24.532 4.329 -2.648 1.00 0.00 C ATOM 0 H LEU A 12 21.706 7.221 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 12 22.028 5.766 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.734 4.862 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.083 3.808 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 12 23.932 6.103 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.214 4.709 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.594 5.096 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.926 3.482 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.596 4.495 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.323 3.260 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.254 4.726 -3.624 1.00 0.00 H new ATOM 159 N GLU A 13 19.281 6.326 -3.443 1.00 0.00 N ATOM 160 CA GLU A 13 17.864 6.072 -3.671 1.00 0.00 C ATOM 161 C GLU A 13 17.465 6.450 -5.095 1.00 0.00 C ATOM 162 O GLU A 13 17.215 7.617 -5.392 1.00 0.00 O ATOM 163 CB GLU A 13 17.015 6.856 -2.668 1.00 0.00 C ATOM 164 CG GLU A 13 17.338 6.538 -1.218 1.00 0.00 C ATOM 165 CD GLU A 13 16.470 7.310 -0.243 1.00 0.00 C ATOM 166 OE1 GLU A 13 15.282 6.955 -0.096 1.00 0.00 O ATOM 167 OE2 GLU A 13 16.980 8.270 0.372 1.00 0.00 O ATOM 0 H GLU A 13 19.594 7.254 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 13 17.686 5.006 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 13 17.159 7.923 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.962 6.644 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.208 5.469 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.386 6.766 -1.025 1.00 0.00 H new ATOM 174 N ASN A 14 17.409 5.452 -5.972 1.00 0.00 N ATOM 175 CA ASN A 14 17.042 5.679 -7.365 1.00 0.00 C ATOM 176 C ASN A 14 15.588 6.124 -7.479 1.00 0.00 C ATOM 177 O ASN A 14 15.238 6.918 -8.353 1.00 0.00 O ATOM 178 CB ASN A 14 17.264 4.406 -8.186 1.00 0.00 C ATOM 179 CG ASN A 14 18.717 3.973 -8.200 1.00 0.00 C ATOM 180 OD1 ASN A 14 19.592 4.713 -8.651 1.00 0.00 O ATOM 181 ND2 ASN A 14 18.981 2.769 -7.706 1.00 0.00 N ATOM 0 H ASN A 14 17.613 4.479 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 14 17.678 6.473 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.652 3.602 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.928 4.574 -9.209 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.941 2.424 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 14 18.224 2.190 -7.343 1.00 0.00 H new ATOM 188 N ILE A 15 14.745 5.608 -6.591 1.00 0.00 N ATOM 189 CA ILE A 15 13.329 5.954 -6.591 1.00 0.00 C ATOM 190 C ILE A 15 13.054 7.142 -5.675 1.00 0.00 C ATOM 191 O ILE A 15 13.578 7.216 -4.565 1.00 0.00 O ATOM 192 CB ILE A 15 12.459 4.764 -6.145 1.00 0.00 C ATOM 193 CG1 ILE A 15 12.629 3.589 -7.111 1.00 0.00 C ATOM 194 CG2 ILE A 15 10.998 5.179 -6.059 1.00 0.00 C ATOM 195 CD1 ILE A 15 13.847 2.740 -6.821 1.00 0.00 C ATOM 0 H ILE A 15 15.018 4.949 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 15 13.069 6.220 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 15 12.785 4.446 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.739 2.961 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.698 3.973 -8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.396 4.327 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.891 5.987 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.658 5.520 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.904 1.927 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.744 3.354 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.771 2.327 -5.815 1.00 0.00 H new ATOM 207 N GLN A 16 12.226 8.067 -6.149 1.00 0.00 N ATOM 208 CA GLN A 16 11.880 9.252 -5.373 1.00 0.00 C ATOM 209 C GLN A 16 10.598 9.026 -4.578 1.00 0.00 C ATOM 210 O GLN A 16 9.496 9.113 -5.120 1.00 0.00 O ATOM 211 CB GLN A 16 11.716 10.462 -6.294 1.00 0.00 C ATOM 212 CG GLN A 16 13.010 10.900 -6.959 1.00 0.00 C ATOM 213 CD GLN A 16 12.791 11.956 -8.024 1.00 0.00 C ATOM 214 OE1 GLN A 16 11.947 12.840 -7.874 1.00 0.00 O ATOM 215 NE2 GLN A 16 13.552 11.869 -9.109 1.00 0.00 N ATOM 0 H GLN A 16 11.782 8.019 -7.066 1.00 0.00 H new ATOM 0 HA GLN A 16 12.692 9.446 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.983 10.224 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.313 11.295 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.690 11.289 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.495 10.033 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.239 11.120 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.449 12.552 -9.860 1.00 0.00 H new ATOM 224 N ILE A 17 10.750 8.735 -3.290 1.00 0.00 N ATOM 225 CA ILE A 17 9.604 8.497 -2.421 1.00 0.00 C ATOM 226 C ILE A 17 9.393 9.660 -1.458 1.00 0.00 C ATOM 227 O ILE A 17 10.340 10.215 -0.899 1.00 0.00 O ATOM 228 CB ILE A 17 9.773 7.198 -1.610 1.00 0.00 C ATOM 229 CG1 ILE A 17 9.899 5.997 -2.549 1.00 0.00 C ATOM 230 CG2 ILE A 17 8.601 7.012 -0.658 1.00 0.00 C ATOM 231 CD1 ILE A 17 10.031 4.675 -1.826 1.00 0.00 C ATOM 0 H ILE A 17 11.655 8.658 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 17 8.732 8.402 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 17 10.687 7.272 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.024 5.961 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.768 6.138 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.735 6.090 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.553 7.856 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.674 6.956 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.116 3.869 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.921 4.691 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.151 4.511 -1.204 1.00 0.00 H new ATOM 243 N PRO A 18 8.123 10.040 -1.258 1.00 0.00 N ATOM 244 CA PRO A 18 7.757 11.140 -0.361 1.00 0.00 C ATOM 245 C PRO A 18 7.987 10.793 1.106 1.00 0.00 C ATOM 246 O PRO A 18 7.674 9.687 1.549 1.00 0.00 O ATOM 247 CB PRO A 18 6.265 11.340 -0.635 1.00 0.00 C ATOM 248 CG PRO A 18 5.790 10.019 -1.134 1.00 0.00 C ATOM 249 CD PRO A 18 6.945 9.424 -1.892 1.00 0.00 C ATOM 0 HA PRO A 18 8.360 12.030 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.733 11.636 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.100 12.125 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.492 9.374 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.919 10.135 -1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.965 8.338 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.892 9.659 -2.955 1.00 0.00 H new ATOM 257 N ASP A 19 8.537 11.742 1.855 1.00 0.00 N ATOM 258 CA ASP A 19 8.807 11.537 3.273 1.00 0.00 C ATOM 259 C ASP A 19 7.603 10.913 3.972 1.00 0.00 C ATOM 260 O ASP A 19 7.750 10.016 4.801 1.00 0.00 O ATOM 261 CB ASP A 19 9.170 12.863 3.942 1.00 0.00 C ATOM 262 CG ASP A 19 10.049 12.675 5.164 1.00 0.00 C ATOM 263 OD1 ASP A 19 10.964 11.827 5.110 1.00 0.00 O ATOM 264 OD2 ASP A 19 9.821 13.374 6.173 1.00 0.00 O ATOM 0 H ASP A 19 8.805 12.661 1.504 1.00 0.00 H new ATOM 0 HA ASP A 19 9.650 10.852 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.684 13.500 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.256 13.382 4.232 1.00 0.00 H new ATOM 269 N ALA A 20 6.412 11.396 3.631 1.00 0.00 N ATOM 270 CA ALA A 20 5.183 10.885 4.224 1.00 0.00 C ATOM 271 C ALA A 20 4.284 10.252 3.167 1.00 0.00 C ATOM 272 O ALA A 20 4.374 10.558 1.978 1.00 0.00 O ATOM 273 CB ALA A 20 4.444 12.000 4.949 1.00 0.00 C ATOM 0 H ALA A 20 6.273 12.140 2.947 1.00 0.00 H new ATOM 0 HA ALA A 20 5.451 10.112 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.528 11.604 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.078 12.404 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.196 12.792 4.242 1.00 0.00 H new ATOM 279 N PRO A 21 3.397 9.348 3.607 1.00 0.00 N ATOM 280 CA PRO A 21 2.465 8.653 2.714 1.00 0.00 C ATOM 281 C PRO A 21 1.391 9.583 2.161 1.00 0.00 C ATOM 282 O PRO A 21 0.828 10.414 2.873 1.00 0.00 O ATOM 283 CB PRO A 21 1.838 7.587 3.616 1.00 0.00 C ATOM 284 CG PRO A 21 1.960 8.138 4.995 1.00 0.00 C ATOM 285 CD PRO A 21 3.235 8.935 5.011 1.00 0.00 C ATOM 0 HA PRO A 21 2.967 8.246 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.796 7.408 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.358 6.634 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.104 8.766 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.991 7.337 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.163 9.795 5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.079 8.336 5.354 1.00 0.00 H new ATOM 293 N PRO A 22 1.097 9.441 0.860 1.00 0.00 N ATOM 294 CA PRO A 22 0.087 10.259 0.182 1.00 0.00 C ATOM 295 C PRO A 22 -1.330 9.927 0.639 1.00 0.00 C ATOM 296 O PRO A 22 -1.596 8.858 1.190 1.00 0.00 O ATOM 297 CB PRO A 22 0.270 9.899 -1.294 1.00 0.00 C ATOM 298 CG PRO A 22 0.865 8.533 -1.280 1.00 0.00 C ATOM 299 CD PRO A 22 1.728 8.470 -0.050 1.00 0.00 C ATOM 0 HA PRO A 22 0.213 11.321 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.682 9.911 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.925 10.611 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.088 7.769 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.454 8.355 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.743 7.468 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.761 8.738 -0.270 1.00 0.00 H new ATOM 307 N PRO A 23 -2.262 10.862 0.407 1.00 0.00 N ATOM 308 CA PRO A 23 -3.668 10.691 0.786 1.00 0.00 C ATOM 309 C PRO A 23 -4.373 9.638 -0.063 1.00 0.00 C ATOM 310 O PRO A 23 -4.692 9.877 -1.227 1.00 0.00 O ATOM 311 CB PRO A 23 -4.274 12.074 0.534 1.00 0.00 C ATOM 312 CG PRO A 23 -3.400 12.688 -0.504 1.00 0.00 C ATOM 313 CD PRO A 23 -2.016 12.160 -0.245 1.00 0.00 C ATOM 0 HA PRO A 23 -3.774 10.345 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.305 11.997 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.287 12.672 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.738 12.422 -1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.421 13.776 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.451 12.044 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.444 12.830 0.397 1.00 0.00 H new ATOM 321 N ILE A 24 -4.613 8.472 0.529 1.00 0.00 N ATOM 322 CA ILE A 24 -5.281 7.384 -0.173 1.00 0.00 C ATOM 323 C ILE A 24 -6.416 7.908 -1.046 1.00 0.00 C ATOM 324 O ILE A 24 -7.178 8.791 -0.653 1.00 0.00 O ATOM 325 CB ILE A 24 -5.845 6.342 0.811 1.00 0.00 C ATOM 326 CG1 ILE A 24 -4.716 5.733 1.645 1.00 0.00 C ATOM 327 CG2 ILE A 24 -6.599 5.256 0.058 1.00 0.00 C ATOM 328 CD1 ILE A 24 -5.194 5.077 2.922 1.00 0.00 C ATOM 0 H ILE A 24 -4.355 8.257 1.492 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.531 6.908 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.542 6.840 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.188 4.994 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.997 6.514 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.992 4.527 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.424 5.703 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.922 4.758 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.340 4.667 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.697 5.817 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.890 4.274 2.680 1.00 0.00 H new ATOM 340 N PRO A 25 -6.535 7.349 -2.260 1.00 0.00 N ATOM 341 CA PRO A 25 -7.576 7.743 -3.214 1.00 0.00 C ATOM 342 C PRO A 25 -8.966 7.304 -2.769 1.00 0.00 C ATOM 343 O PRO A 25 -9.125 6.678 -1.720 1.00 0.00 O ATOM 344 CB PRO A 25 -7.172 7.017 -4.500 1.00 0.00 C ATOM 345 CG PRO A 25 -6.379 5.843 -4.038 1.00 0.00 C ATOM 346 CD PRO A 25 -5.662 6.291 -2.795 1.00 0.00 C ATOM 0 HA PRO A 25 -7.641 8.826 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.047 6.704 -5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.582 7.662 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.027 4.992 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.671 5.524 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.540 5.473 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.665 6.669 -3.020 1.00 0.00 H new ATOM 354 N LYS A 26 -9.972 7.635 -3.572 1.00 0.00 N ATOM 355 CA LYS A 26 -11.350 7.273 -3.262 1.00 0.00 C ATOM 356 C LYS A 26 -11.648 5.842 -3.697 1.00 0.00 C ATOM 357 O LYS A 26 -11.674 5.540 -4.889 1.00 0.00 O ATOM 358 CB LYS A 26 -12.319 8.239 -3.949 1.00 0.00 C ATOM 359 CG LYS A 26 -13.762 8.071 -3.505 1.00 0.00 C ATOM 360 CD LYS A 26 -14.512 7.100 -4.401 1.00 0.00 C ATOM 361 CE LYS A 26 -15.189 7.819 -5.558 1.00 0.00 C ATOM 362 NZ LYS A 26 -16.057 6.903 -6.349 1.00 0.00 N ATOM 0 H LYS A 26 -9.858 8.154 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.483 7.340 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.002 9.262 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.260 8.094 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.788 7.712 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.262 9.039 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.820 6.353 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.260 6.566 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.788 8.644 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.431 8.253 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.500 7.431 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.481 6.129 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.797 6.508 -5.734 1.00 0.00 H new ATOM 376 N GLU A 27 -11.873 4.967 -2.722 1.00 0.00 N ATOM 377 CA GLU A 27 -12.170 3.568 -3.006 1.00 0.00 C ATOM 378 C GLU A 27 -13.033 3.438 -4.258 1.00 0.00 C ATOM 379 O GLU A 27 -13.958 4.217 -4.488 1.00 0.00 O ATOM 380 CB GLU A 27 -12.880 2.922 -1.815 1.00 0.00 C ATOM 381 CG GLU A 27 -11.933 2.446 -0.727 1.00 0.00 C ATOM 382 CD GLU A 27 -12.568 2.465 0.650 1.00 0.00 C ATOM 383 OE1 GLU A 27 -13.598 1.783 0.838 1.00 0.00 O ATOM 384 OE2 GLU A 27 -12.036 3.162 1.539 1.00 0.00 O ATOM 0 H GLU A 27 -11.855 5.202 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.226 3.052 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.580 3.640 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.468 2.075 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.602 1.433 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.045 3.078 -0.722 1.00 0.00 H new ATOM 391 N PRO A 28 -12.724 2.430 -5.087 1.00 0.00 N ATOM 392 CA PRO A 28 -13.459 2.174 -6.330 1.00 0.00 C ATOM 393 C PRO A 28 -14.871 1.659 -6.073 1.00 0.00 C ATOM 394 O PRO A 28 -15.149 1.080 -5.023 1.00 0.00 O ATOM 395 CB PRO A 28 -12.617 1.101 -7.025 1.00 0.00 C ATOM 396 CG PRO A 28 -11.894 0.412 -5.920 1.00 0.00 C ATOM 397 CD PRO A 28 -11.634 1.463 -4.876 1.00 0.00 C ATOM 0 HA PRO A 28 -13.590 3.081 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.244 0.405 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.921 1.544 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.491 -0.404 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.960 -0.023 -6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.657 1.044 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.656 1.925 -5.006 1.00 0.00 H new ATOM 405 N SER A 29 -15.760 1.875 -7.038 1.00 0.00 N ATOM 406 CA SER A 29 -17.144 1.435 -6.914 1.00 0.00 C ATOM 407 C SER A 29 -17.598 0.705 -8.175 1.00 0.00 C ATOM 408 O SER A 29 -16.868 0.638 -9.162 1.00 0.00 O ATOM 409 CB SER A 29 -18.059 2.632 -6.647 1.00 0.00 C ATOM 410 OG SER A 29 -18.068 3.523 -7.748 1.00 0.00 O ATOM 0 H SER A 29 -15.546 2.352 -7.914 1.00 0.00 H new ATOM 0 HA SER A 29 -17.206 0.744 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 29 -19.072 2.282 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 29 -17.724 3.157 -5.753 1.00 0.00 H new ATOM 0 HG SER A 29 -18.661 4.278 -7.553 1.00 0.00 H new ATOM 416 N ASN A 30 -18.809 0.160 -8.132 1.00 0.00 N ATOM 417 CA ASN A 30 -19.361 -0.566 -9.270 1.00 0.00 C ATOM 418 C ASN A 30 -18.322 -1.509 -9.869 1.00 0.00 C ATOM 419 O ASN A 30 -18.220 -1.642 -11.089 1.00 0.00 O ATOM 420 CB ASN A 30 -19.852 0.414 -10.337 1.00 0.00 C ATOM 421 CG ASN A 30 -21.181 1.047 -9.972 1.00 0.00 C ATOM 422 OD1 ASN A 30 -22.020 0.424 -9.321 1.00 0.00 O ATOM 423 ND2 ASN A 30 -21.378 2.292 -10.391 1.00 0.00 N ATOM 0 H ASN A 30 -19.427 0.207 -7.322 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.204 -1.160 -8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.107 1.197 -10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.950 -0.108 -11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.253 2.770 -10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -20.654 2.770 -10.928 1.00 0.00 H new ATOM 430 N TYR A 31 -17.553 -2.161 -9.004 1.00 0.00 N ATOM 431 CA TYR A 31 -16.521 -3.090 -9.447 1.00 0.00 C ATOM 432 C TYR A 31 -16.976 -3.861 -10.683 1.00 0.00 C ATOM 433 O TYR A 31 -18.123 -4.299 -10.768 1.00 0.00 O ATOM 434 CB TYR A 31 -16.168 -4.067 -8.325 1.00 0.00 C ATOM 435 CG TYR A 31 -15.725 -3.388 -7.048 1.00 0.00 C ATOM 436 CD1 TYR A 31 -16.654 -2.924 -6.126 1.00 0.00 C ATOM 437 CD2 TYR A 31 -14.376 -3.213 -6.765 1.00 0.00 C ATOM 438 CE1 TYR A 31 -16.253 -2.302 -4.959 1.00 0.00 C ATOM 439 CE2 TYR A 31 -13.965 -2.594 -5.600 1.00 0.00 C ATOM 440 CZ TYR A 31 -14.908 -2.140 -4.700 1.00 0.00 C ATOM 441 OH TYR A 31 -14.504 -1.523 -3.539 1.00 0.00 O ATOM 0 H TYR A 31 -17.625 -2.063 -7.991 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.635 -2.511 -9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.035 -4.692 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.374 -4.730 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -17.708 -3.051 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.636 -3.567 -7.468 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.989 -1.945 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.912 -2.466 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.578 -0.551 -3.642 1.00 0.00 H new ATOM 451 N ASP A 32 -16.067 -4.023 -11.639 1.00 0.00 N ATOM 452 CA ASP A 32 -16.372 -4.742 -12.870 1.00 0.00 C ATOM 453 C ASP A 32 -16.688 -6.206 -12.580 1.00 0.00 C ATOM 454 O ASP A 32 -17.750 -6.708 -12.949 1.00 0.00 O ATOM 455 CB ASP A 32 -15.200 -4.644 -13.847 1.00 0.00 C ATOM 456 CG ASP A 32 -15.499 -5.304 -15.179 1.00 0.00 C ATOM 457 OD1 ASP A 32 -16.368 -4.790 -15.914 1.00 0.00 O ATOM 458 OD2 ASP A 32 -14.864 -6.334 -15.485 1.00 0.00 O ATOM 0 H ASP A 32 -15.113 -3.666 -11.585 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.251 -4.282 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.955 -3.595 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.321 -5.111 -13.403 1.00 0.00 H new ATOM 463 N PHE A 33 -15.758 -6.887 -11.918 1.00 0.00 N ATOM 464 CA PHE A 33 -15.936 -8.294 -11.581 1.00 0.00 C ATOM 465 C PHE A 33 -17.035 -8.468 -10.537 1.00 0.00 C ATOM 466 O PHE A 33 -17.395 -7.523 -9.835 1.00 0.00 O ATOM 467 CB PHE A 33 -14.624 -8.885 -11.060 1.00 0.00 C ATOM 468 CG PHE A 33 -13.871 -7.961 -10.147 1.00 0.00 C ATOM 469 CD1 PHE A 33 -14.315 -7.730 -8.855 1.00 0.00 C ATOM 470 CD2 PHE A 33 -12.719 -7.325 -10.579 1.00 0.00 C ATOM 471 CE1 PHE A 33 -13.625 -6.879 -8.012 1.00 0.00 C ATOM 472 CE2 PHE A 33 -12.024 -6.474 -9.741 1.00 0.00 C ATOM 473 CZ PHE A 33 -12.477 -6.252 -8.455 1.00 0.00 C ATOM 0 H PHE A 33 -14.874 -6.487 -11.605 1.00 0.00 H new ATOM 0 HA PHE A 33 -16.232 -8.824 -12.486 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -14.838 -9.812 -10.529 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.989 -9.142 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.210 -8.220 -8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.360 -7.496 -11.583 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.983 -6.705 -7.008 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.128 -5.983 -10.091 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.934 -5.589 -7.797 1.00 0.00 H new ATOM 483 N SER A 34 -17.565 -9.684 -10.441 1.00 0.00 N ATOM 484 CA SER A 34 -18.626 -9.982 -9.487 1.00 0.00 C ATOM 485 C SER A 34 -18.136 -10.950 -8.414 1.00 0.00 C ATOM 486 O SER A 34 -18.372 -12.154 -8.493 1.00 0.00 O ATOM 487 CB SER A 34 -19.838 -10.575 -10.208 1.00 0.00 C ATOM 488 OG SER A 34 -20.275 -9.725 -11.254 1.00 0.00 O ATOM 0 H SER A 34 -17.276 -10.478 -11.012 1.00 0.00 H new ATOM 0 HA SER A 34 -18.919 -9.049 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.581 -11.553 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 34 -20.649 -10.728 -9.496 1.00 0.00 H new ATOM 0 HG SER A 34 -21.049 -10.127 -11.700 1.00 0.00 H new ATOM 494 N GLY A 35 -17.450 -10.412 -7.409 1.00 0.00 N ATOM 495 CA GLY A 35 -16.936 -11.240 -6.334 1.00 0.00 C ATOM 496 C GLY A 35 -18.040 -11.921 -5.549 1.00 0.00 C ATOM 497 O GLY A 35 -19.226 -11.750 -5.829 1.00 0.00 O ATOM 0 H GLY A 35 -17.241 -9.417 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.269 -11.996 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.340 -10.626 -5.659 1.00 0.00 H new ATOM 501 N PRO A 36 -17.650 -12.714 -4.540 1.00 0.00 N ATOM 502 CA PRO A 36 -18.600 -13.440 -3.692 1.00 0.00 C ATOM 503 C PRO A 36 -19.394 -12.508 -2.782 1.00 0.00 C ATOM 504 O PRO A 36 -20.620 -12.597 -2.705 1.00 0.00 O ATOM 505 CB PRO A 36 -17.703 -14.361 -2.861 1.00 0.00 C ATOM 506 CG PRO A 36 -16.381 -13.674 -2.831 1.00 0.00 C ATOM 507 CD PRO A 36 -16.253 -12.964 -4.149 1.00 0.00 C ATOM 0 HA PRO A 36 -19.349 -13.970 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -18.100 -14.499 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.625 -15.350 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.326 -12.969 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.572 -14.391 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.691 -12.035 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.733 -13.576 -4.886 1.00 0.00 H new ATOM 515 N SER A 37 -18.688 -11.616 -2.096 1.00 0.00 N ATOM 516 CA SER A 37 -19.328 -10.670 -1.189 1.00 0.00 C ATOM 517 C SER A 37 -18.940 -9.236 -1.538 1.00 0.00 C ATOM 518 O SER A 37 -17.877 -8.755 -1.144 1.00 0.00 O ATOM 519 CB SER A 37 -18.940 -10.977 0.259 1.00 0.00 C ATOM 520 OG SER A 37 -19.963 -10.583 1.156 1.00 0.00 O ATOM 0 H SER A 37 -17.673 -11.528 -2.151 1.00 0.00 H new ATOM 0 HA SER A 37 -20.408 -10.773 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.747 -12.044 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.014 -10.459 0.508 1.00 0.00 H new ATOM 0 HG SER A 37 -19.691 -10.792 2.074 1.00 0.00 H new ATOM 526 N SER A 38 -19.810 -8.558 -2.279 1.00 0.00 N ATOM 527 CA SER A 38 -19.559 -7.180 -2.686 1.00 0.00 C ATOM 528 C SER A 38 -19.240 -6.307 -1.476 1.00 0.00 C ATOM 529 O SER A 38 -18.324 -5.487 -1.512 1.00 0.00 O ATOM 530 CB SER A 38 -20.770 -6.617 -3.431 1.00 0.00 C ATOM 531 OG SER A 38 -20.655 -5.215 -3.605 1.00 0.00 O ATOM 0 H SER A 38 -20.696 -8.940 -2.610 1.00 0.00 H new ATOM 0 HA SER A 38 -18.697 -7.175 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.860 -7.101 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 38 -21.680 -6.844 -2.876 1.00 0.00 H new ATOM 0 HG SER A 38 -21.441 -4.879 -4.085 1.00 0.00 H new ATOM 537 N GLY A 39 -20.005 -6.490 -0.404 1.00 0.00 N ATOM 538 CA GLY A 39 -19.790 -5.712 0.802 1.00 0.00 C ATOM 539 C GLY A 39 -20.657 -6.178 1.955 1.00 0.00 C ATOM 540 O GLY A 39 -20.877 -7.377 2.130 1.00 0.00 O ATOM 0 H GLY A 39 -20.770 -7.163 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.741 -5.778 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.999 -4.662 0.596 1.00 0.00 H new ATOM 544 N ILE A 40 -21.150 -5.229 2.744 1.00 0.00 N ATOM 545 CA ILE A 40 -21.997 -5.550 3.886 1.00 0.00 C ATOM 546 C ILE A 40 -22.882 -6.756 3.592 1.00 0.00 C ATOM 547 O ILE A 40 -23.546 -6.813 2.558 1.00 0.00 O ATOM 548 CB ILE A 40 -22.888 -4.356 4.278 1.00 0.00 C ATOM 549 CG1 ILE A 40 -23.936 -4.097 3.194 1.00 0.00 C ATOM 550 CG2 ILE A 40 -22.039 -3.115 4.511 1.00 0.00 C ATOM 551 CD1 ILE A 40 -23.340 -3.808 1.834 1.00 0.00 C ATOM 0 H ILE A 40 -20.977 -4.232 2.613 1.00 0.00 H new ATOM 0 HA ILE A 40 -21.332 -5.785 4.717 1.00 0.00 H new ATOM 0 HB ILE A 40 -23.406 -4.597 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -24.590 -4.965 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -24.558 -3.254 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -22.683 -2.280 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -21.328 -3.306 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -21.497 -2.868 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -24.141 -3.634 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -22.708 -2.922 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -22.741 -4.659 1.511 1.00 0.00 H new ATOM 563 N GLU A 41 -22.887 -7.717 4.511 1.00 0.00 N ATOM 564 CA GLU A 41 -23.692 -8.922 4.350 1.00 0.00 C ATOM 565 C GLU A 41 -24.268 -9.374 5.689 1.00 0.00 C ATOM 566 O GLU A 41 -23.553 -9.464 6.687 1.00 0.00 O ATOM 567 CB GLU A 41 -22.853 -10.045 3.739 1.00 0.00 C ATOM 568 CG GLU A 41 -23.664 -11.272 3.354 1.00 0.00 C ATOM 569 CD GLU A 41 -24.810 -10.943 2.418 1.00 0.00 C ATOM 570 OE1 GLU A 41 -24.652 -10.028 1.584 1.00 0.00 O ATOM 571 OE2 GLU A 41 -25.867 -11.601 2.521 1.00 0.00 O ATOM 0 H GLU A 41 -22.343 -7.684 5.373 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.518 -8.689 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.343 -9.665 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -22.081 -10.339 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.009 -12.001 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.059 -11.740 4.256 1.00 0.00 H new ATOM 578 N GLY A 42 -25.567 -9.658 5.703 1.00 0.00 N ATOM 579 CA GLY A 42 -26.218 -10.096 6.924 1.00 0.00 C ATOM 580 C GLY A 42 -27.572 -10.725 6.665 1.00 0.00 C ATOM 581 O GLY A 42 -27.741 -11.935 6.816 1.00 0.00 O ATOM 0 H GLY A 42 -26.180 -9.593 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -25.578 -10.815 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -26.338 -9.244 7.594 1.00 0.00 H new ATOM 585 N ARG A 43 -28.541 -9.902 6.275 1.00 0.00 N ATOM 586 CA ARG A 43 -29.888 -10.385 5.998 1.00 0.00 C ATOM 587 C ARG A 43 -30.153 -10.425 4.496 1.00 0.00 C ATOM 588 O ARG A 43 -30.694 -9.480 3.925 1.00 0.00 O ATOM 589 CB ARG A 43 -30.924 -9.493 6.685 1.00 0.00 C ATOM 590 CG ARG A 43 -32.197 -10.227 7.074 1.00 0.00 C ATOM 591 CD ARG A 43 -32.851 -9.600 8.295 1.00 0.00 C ATOM 592 NE ARG A 43 -33.578 -8.379 7.961 1.00 0.00 N ATOM 593 CZ ARG A 43 -34.039 -7.525 8.869 1.00 0.00 C ATOM 594 NH1 ARG A 43 -33.848 -7.759 10.160 1.00 0.00 N ATOM 595 NH2 ARG A 43 -34.692 -6.436 8.486 1.00 0.00 N ATOM 0 H ARG A 43 -28.418 -8.898 6.144 1.00 0.00 H new ATOM 0 HA ARG A 43 -29.972 -11.398 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -30.479 -9.056 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -31.179 -8.668 6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -32.896 -10.213 6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -31.967 -11.272 7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -33.536 -10.317 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -32.087 -9.375 9.040 1.00 0.00 H new ATOM 0 HE ARG A 43 -33.741 -8.170 6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -33.346 -8.596 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -34.203 -7.102 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -34.841 -6.253 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -35.045 -5.781 9.184 1.00 0.00 H new ATOM 609 N GLY A 44 -29.766 -11.528 3.861 1.00 0.00 N ATOM 610 CA GLY A 44 -29.969 -11.670 2.431 1.00 0.00 C ATOM 611 C GLY A 44 -30.934 -12.789 2.091 1.00 0.00 C ATOM 612 O GLY A 44 -31.458 -13.457 2.982 1.00 0.00 O ATOM 0 H GLY A 44 -29.316 -12.325 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -30.348 -10.732 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -29.011 -11.861 1.948 1.00 0.00 H new ATOM 616 N SER A 45 -31.170 -12.992 0.799 1.00 0.00 N ATOM 617 CA SER A 45 -32.083 -14.034 0.344 1.00 0.00 C ATOM 618 C SER A 45 -31.433 -15.410 0.450 1.00 0.00 C ATOM 619 O SER A 45 -31.942 -16.298 1.135 1.00 0.00 O ATOM 620 CB SER A 45 -32.513 -13.770 -1.100 1.00 0.00 C ATOM 621 OG SER A 45 -33.122 -12.497 -1.226 1.00 0.00 O ATOM 0 H SER A 45 -30.742 -12.449 0.049 1.00 0.00 H new ATOM 0 HA SER A 45 -32.963 -14.017 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 45 -31.646 -13.828 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.210 -14.544 -1.422 1.00 0.00 H new ATOM 0 HG SER A 45 -33.386 -12.352 -2.158 1.00 0.00 H new ATOM 627 N SER A 46 -30.306 -15.579 -0.234 1.00 0.00 N ATOM 628 CA SER A 46 -29.587 -16.848 -0.221 1.00 0.00 C ATOM 629 C SER A 46 -28.142 -16.649 0.227 1.00 0.00 C ATOM 630 O SER A 46 -27.717 -17.189 1.247 1.00 0.00 O ATOM 631 CB SER A 46 -29.619 -17.491 -1.609 1.00 0.00 C ATOM 632 OG SER A 46 -29.055 -18.790 -1.582 1.00 0.00 O ATOM 0 H SER A 46 -29.871 -14.854 -0.804 1.00 0.00 H new ATOM 0 HA SER A 46 -30.081 -17.510 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 -30.648 -17.545 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 46 -29.070 -16.867 -2.315 1.00 0.00 H new ATOM 0 HG SER A 46 -29.089 -19.180 -2.480 1.00 0.00 H new ATOM 638 N GLY A 47 -27.392 -15.870 -0.546 1.00 0.00 N ATOM 639 CA GLY A 47 -26.003 -15.613 -0.214 1.00 0.00 C ATOM 640 C GLY A 47 -25.122 -16.829 -0.422 1.00 0.00 C ATOM 641 O GLY A 47 -25.115 -17.746 0.398 1.00 0.00 O ATOM 0 H GLY A 47 -27.721 -15.412 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.633 -14.791 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.935 -15.292 0.825 1.00 0.00 H new ATOM 645 N SER A 48 -24.379 -16.837 -1.524 1.00 0.00 N ATOM 646 CA SER A 48 -23.495 -17.952 -1.841 1.00 0.00 C ATOM 647 C SER A 48 -22.101 -17.453 -2.211 1.00 0.00 C ATOM 648 O SER A 48 -21.945 -16.354 -2.744 1.00 0.00 O ATOM 649 CB SER A 48 -24.074 -18.780 -2.990 1.00 0.00 C ATOM 650 OG SER A 48 -23.661 -20.133 -2.903 1.00 0.00 O ATOM 0 H SER A 48 -24.372 -16.084 -2.212 1.00 0.00 H new ATOM 0 HA SER A 48 -23.413 -18.581 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.162 -18.727 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 48 -23.753 -18.359 -3.943 1.00 0.00 H new ATOM 0 HG SER A 48 -24.046 -20.641 -3.648 1.00 0.00 H new ATOM 656 N SER A 49 -21.092 -18.269 -1.925 1.00 0.00 N ATOM 657 CA SER A 49 -19.710 -17.910 -2.224 1.00 0.00 C ATOM 658 C SER A 49 -19.048 -18.974 -3.093 1.00 0.00 C ATOM 659 O SER A 49 -19.507 -20.114 -3.156 1.00 0.00 O ATOM 660 CB SER A 49 -18.917 -17.726 -0.928 1.00 0.00 C ATOM 661 OG SER A 49 -18.792 -18.953 -0.229 1.00 0.00 O ATOM 0 H SER A 49 -21.205 -19.183 -1.487 1.00 0.00 H new ATOM 0 HA SER A 49 -19.716 -16.969 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 49 -17.927 -17.331 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 49 -19.415 -16.992 -0.294 1.00 0.00 H new ATOM 0 HG SER A 49 -18.280 -18.810 0.594 1.00 0.00 H new ATOM 667 N GLY A 50 -17.964 -18.593 -3.762 1.00 0.00 N ATOM 668 CA GLY A 50 -17.255 -19.525 -4.619 1.00 0.00 C ATOM 669 C GLY A 50 -15.752 -19.341 -4.557 1.00 0.00 C ATOM 670 O GLY A 50 -15.177 -18.599 -5.353 1.00 0.00 O ATOM 0 H GLY A 50 -17.564 -17.655 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.505 -20.545 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.592 -19.396 -5.648 1.00 0.00 H new ATOM 674 N SER A 51 -15.113 -20.017 -3.608 1.00 0.00 N ATOM 675 CA SER A 51 -13.667 -19.920 -3.441 1.00 0.00 C ATOM 676 C SER A 51 -12.949 -20.930 -4.331 1.00 0.00 C ATOM 677 O SER A 51 -11.992 -21.577 -3.907 1.00 0.00 O ATOM 678 CB SER A 51 -13.285 -20.150 -1.978 1.00 0.00 C ATOM 679 OG SER A 51 -13.584 -19.012 -1.188 1.00 0.00 O ATOM 0 H SER A 51 -15.573 -20.638 -2.943 1.00 0.00 H new ATOM 0 HA SER A 51 -13.358 -18.917 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.821 -21.016 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.221 -20.376 -1.908 1.00 0.00 H new ATOM 0 HG SER A 51 -13.332 -19.185 -0.257 1.00 0.00 H new ATOM 685 N SER A 52 -13.419 -21.060 -5.568 1.00 0.00 N ATOM 686 CA SER A 52 -12.826 -21.994 -6.517 1.00 0.00 C ATOM 687 C SER A 52 -12.655 -21.341 -7.886 1.00 0.00 C ATOM 688 O SER A 52 -13.478 -20.529 -8.306 1.00 0.00 O ATOM 689 CB SER A 52 -13.693 -23.247 -6.642 1.00 0.00 C ATOM 690 OG SER A 52 -13.331 -24.217 -5.675 1.00 0.00 O ATOM 0 H SER A 52 -14.209 -20.530 -5.936 1.00 0.00 H new ATOM 0 HA SER A 52 -11.842 -22.278 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.743 -22.980 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.586 -23.668 -7.642 1.00 0.00 H new ATOM 0 HG SER A 52 -13.901 -25.008 -5.775 1.00 0.00 H new ATOM 696 N GLY A 53 -11.578 -21.703 -8.577 1.00 0.00 N ATOM 697 CA GLY A 53 -11.317 -21.144 -9.890 1.00 0.00 C ATOM 698 C GLY A 53 -10.206 -20.113 -9.871 1.00 0.00 C ATOM 699 O GLY A 53 -10.465 -18.913 -9.772 1.00 0.00 O ATOM 0 H GLY A 53 -10.882 -22.373 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.051 -21.947 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.228 -20.685 -10.274 1.00 0.00 H new ATOM 703 N SER A 54 -8.965 -20.580 -9.965 1.00 0.00 N ATOM 704 CA SER A 54 -7.811 -19.689 -9.953 1.00 0.00 C ATOM 705 C SER A 54 -7.049 -19.769 -11.272 1.00 0.00 C ATOM 706 O SER A 54 -7.056 -20.800 -11.945 1.00 0.00 O ATOM 707 CB SER A 54 -6.880 -20.042 -8.791 1.00 0.00 C ATOM 708 OG SER A 54 -6.566 -21.424 -8.791 1.00 0.00 O ATOM 0 H SER A 54 -8.733 -21.570 -10.050 1.00 0.00 H new ATOM 0 HA SER A 54 -8.172 -18.669 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.963 -19.457 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.354 -19.773 -7.847 1.00 0.00 H new ATOM 0 HG SER A 54 -5.969 -21.624 -8.040 1.00 0.00 H new ATOM 714 N SER A 55 -6.391 -18.673 -11.636 1.00 0.00 N ATOM 715 CA SER A 55 -5.626 -18.616 -12.876 1.00 0.00 C ATOM 716 C SER A 55 -4.733 -17.380 -12.907 1.00 0.00 C ATOM 717 O SER A 55 -4.860 -16.486 -12.071 1.00 0.00 O ATOM 718 CB SER A 55 -6.569 -18.608 -14.081 1.00 0.00 C ATOM 719 OG SER A 55 -7.509 -17.552 -13.986 1.00 0.00 O ATOM 0 H SER A 55 -6.372 -17.812 -11.089 1.00 0.00 H new ATOM 0 HA SER A 55 -4.993 -19.502 -12.925 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.990 -18.503 -14.999 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.094 -19.562 -14.143 1.00 0.00 H new ATOM 0 HG SER A 55 -8.099 -17.568 -14.769 1.00 0.00 H new ATOM 725 N GLY A 56 -3.827 -17.336 -13.880 1.00 0.00 N ATOM 726 CA GLY A 56 -2.924 -16.207 -14.003 1.00 0.00 C ATOM 727 C GLY A 56 -1.881 -16.413 -15.083 1.00 0.00 C ATOM 728 O GLY A 56 -1.806 -17.483 -15.687 1.00 0.00 O ATOM 0 H GLY A 56 -3.703 -18.063 -14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.499 -15.308 -14.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.426 -16.039 -13.048 1.00 0.00 H new ATOM 732 N ASP A 57 -1.074 -15.386 -15.328 1.00 0.00 N ATOM 733 CA ASP A 57 -0.030 -15.460 -16.344 1.00 0.00 C ATOM 734 C ASP A 57 0.857 -14.220 -16.301 1.00 0.00 C ATOM 735 O ASP A 57 0.395 -13.103 -16.534 1.00 0.00 O ATOM 736 CB ASP A 57 -0.651 -15.610 -17.733 1.00 0.00 C ATOM 737 CG ASP A 57 -1.424 -14.378 -18.159 1.00 0.00 C ATOM 738 OD1 ASP A 57 -2.261 -13.899 -17.364 1.00 0.00 O ATOM 739 OD2 ASP A 57 -1.193 -13.892 -19.285 1.00 0.00 O ATOM 0 H ASP A 57 -1.123 -14.493 -14.837 1.00 0.00 H new ATOM 0 HA ASP A 57 0.587 -16.334 -16.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.136 -15.810 -18.460 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.317 -16.473 -17.738 1.00 0.00 H new ATOM 744 N LYS A 58 2.136 -14.424 -16.000 1.00 0.00 N ATOM 745 CA LYS A 58 3.090 -13.324 -15.926 1.00 0.00 C ATOM 746 C LYS A 58 2.679 -12.318 -14.856 1.00 0.00 C ATOM 747 O LYS A 58 2.786 -11.108 -15.055 1.00 0.00 O ATOM 748 CB LYS A 58 3.199 -12.625 -17.283 1.00 0.00 C ATOM 749 CG LYS A 58 4.370 -11.662 -17.378 1.00 0.00 C ATOM 750 CD LYS A 58 4.585 -11.185 -18.805 1.00 0.00 C ATOM 751 CE LYS A 58 3.506 -10.202 -19.233 1.00 0.00 C ATOM 752 NZ LYS A 58 3.854 -8.801 -18.865 1.00 0.00 N ATOM 0 H LYS A 58 2.535 -15.342 -15.803 1.00 0.00 H new ATOM 0 HA LYS A 58 4.062 -13.737 -15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.295 -13.379 -18.064 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.275 -12.081 -17.477 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.190 -10.804 -16.730 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.275 -12.151 -17.017 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.563 -10.712 -18.888 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.587 -12.041 -19.480 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.361 -10.269 -20.311 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.560 -10.476 -18.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.094 -8.162 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.968 -8.731 -17.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.744 -8.531 -19.330 1.00 0.00 H new ATOM 766 N GLU A 59 2.210 -12.827 -13.721 1.00 0.00 N ATOM 767 CA GLU A 59 1.784 -11.971 -12.619 1.00 0.00 C ATOM 768 C GLU A 59 2.876 -10.971 -12.253 1.00 0.00 C ATOM 769 O GLU A 59 4.057 -11.204 -12.513 1.00 0.00 O ATOM 770 CB GLU A 59 1.421 -12.818 -11.397 1.00 0.00 C ATOM 771 CG GLU A 59 0.098 -13.553 -11.537 1.00 0.00 C ATOM 772 CD GLU A 59 0.037 -14.810 -10.691 1.00 0.00 C ATOM 773 OE1 GLU A 59 1.052 -15.535 -10.631 1.00 0.00 O ATOM 774 OE2 GLU A 59 -1.026 -15.067 -10.088 1.00 0.00 O ATOM 0 H GLU A 59 2.115 -13.826 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 59 0.903 -11.417 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.214 -13.545 -11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.378 -12.174 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.716 -12.887 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.059 -13.816 -12.583 1.00 0.00 H new ATOM 781 N ARG A 60 2.473 -9.858 -11.649 1.00 0.00 N ATOM 782 CA ARG A 60 3.417 -8.822 -11.248 1.00 0.00 C ATOM 783 C ARG A 60 3.861 -9.020 -9.802 1.00 0.00 C ATOM 784 O ARG A 60 3.191 -9.701 -9.024 1.00 0.00 O ATOM 785 CB ARG A 60 2.788 -7.437 -11.415 1.00 0.00 C ATOM 786 CG ARG A 60 3.059 -6.805 -12.770 1.00 0.00 C ATOM 787 CD ARG A 60 2.142 -5.619 -13.025 1.00 0.00 C ATOM 788 NE ARG A 60 0.882 -6.024 -13.642 1.00 0.00 N ATOM 789 CZ ARG A 60 0.027 -5.171 -14.195 1.00 0.00 C ATOM 790 NH1 ARG A 60 0.295 -3.873 -14.208 1.00 0.00 N ATOM 791 NH2 ARG A 60 -1.100 -5.617 -14.737 1.00 0.00 N ATOM 0 H ARG A 60 1.499 -9.651 -11.427 1.00 0.00 H new ATOM 0 HA ARG A 60 4.294 -8.896 -11.892 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.711 -7.517 -11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.167 -6.778 -10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.098 -6.480 -12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.920 -7.549 -13.554 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.937 -5.110 -12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.648 -4.902 -13.671 1.00 0.00 H new ATOM 0 HE ARG A 60 0.645 -7.016 -13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.160 -3.527 -13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.364 -3.221 -14.633 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.310 -6.615 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.756 -4.961 -15.161 1.00 0.00 H new ATOM 805 N HIS A 61 4.993 -8.421 -9.448 1.00 0.00 N ATOM 806 CA HIS A 61 5.526 -8.531 -8.095 1.00 0.00 C ATOM 807 C HIS A 61 5.664 -7.155 -7.451 1.00 0.00 C ATOM 808 O HIS A 61 6.413 -6.306 -7.932 1.00 0.00 O ATOM 809 CB HIS A 61 6.883 -9.236 -8.114 1.00 0.00 C ATOM 810 CG HIS A 61 7.143 -10.069 -6.897 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.376 -10.144 -6.285 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.318 -10.866 -6.177 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.300 -10.951 -5.242 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.061 -11.402 -5.155 1.00 0.00 N ATOM 0 H HIS A 61 5.559 -7.854 -10.079 1.00 0.00 H new ATOM 0 HA HIS A 61 4.826 -9.121 -7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.941 -9.871 -8.998 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.670 -8.488 -8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.271 -11.046 -6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.112 -11.200 -4.574 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.713 -12.045 -4.443 1.00 0.00 H new ATOM 823 N GLY A 62 4.935 -6.941 -6.360 1.00 0.00 N ATOM 824 CA GLY A 62 4.989 -5.666 -5.669 1.00 0.00 C ATOM 825 C GLY A 62 5.403 -5.810 -4.218 1.00 0.00 C ATOM 826 O GLY A 62 5.487 -6.922 -3.696 1.00 0.00 O ATOM 0 H GLY A 62 4.308 -7.628 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.692 -5.008 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.011 -5.188 -5.719 1.00 0.00 H new ATOM 830 N VAL A 63 5.665 -4.683 -3.564 1.00 0.00 N ATOM 831 CA VAL A 63 6.073 -4.688 -2.165 1.00 0.00 C ATOM 832 C VAL A 63 5.487 -3.496 -1.417 1.00 0.00 C ATOM 833 O VAL A 63 5.564 -2.359 -1.882 1.00 0.00 O ATOM 834 CB VAL A 63 7.607 -4.662 -2.028 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.012 -4.139 -0.658 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.187 -6.047 -2.272 1.00 0.00 C ATOM 0 H VAL A 63 5.602 -3.754 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 63 5.692 -5.611 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 63 8.010 -3.986 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.099 -4.128 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.628 -3.127 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.599 -4.787 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.272 -6.010 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.778 -6.746 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.927 -6.378 -3.277 1.00 0.00 H new ATOM 846 N ALA A 64 4.901 -3.764 -0.255 1.00 0.00 N ATOM 847 CA ALA A 64 4.303 -2.713 0.560 1.00 0.00 C ATOM 848 C ALA A 64 5.365 -1.752 1.082 1.00 0.00 C ATOM 849 O ALA A 64 6.326 -2.167 1.731 1.00 0.00 O ATOM 850 CB ALA A 64 3.524 -3.321 1.717 1.00 0.00 C ATOM 0 H ALA A 64 4.827 -4.700 0.144 1.00 0.00 H new ATOM 0 HA ALA A 64 3.616 -2.147 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.083 -2.525 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.733 -3.962 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.197 -3.913 2.338 1.00 0.00 H new ATOM 856 N ILE A 65 5.187 -0.467 0.794 1.00 0.00 N ATOM 857 CA ILE A 65 6.130 0.552 1.235 1.00 0.00 C ATOM 858 C ILE A 65 5.552 1.379 2.378 1.00 0.00 C ATOM 859 O ILE A 65 6.282 2.067 3.092 1.00 0.00 O ATOM 860 CB ILE A 65 6.520 1.495 0.081 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.267 2.060 -0.591 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.387 0.762 -0.932 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.567 3.009 -1.729 1.00 0.00 C ATOM 0 H ILE A 65 4.398 -0.107 0.257 1.00 0.00 H new ATOM 0 HA ILE A 65 7.020 0.028 1.583 1.00 0.00 H new ATOM 0 HB ILE A 65 7.096 2.326 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.663 1.234 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.667 2.580 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.654 1.441 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.294 0.404 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.835 -0.086 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.632 3.370 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.145 3.854 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.141 2.488 -2.496 1.00 0.00 H new ATOM 875 N TYR A 66 4.237 1.304 2.548 1.00 0.00 N ATOM 876 CA TYR A 66 3.559 2.046 3.605 1.00 0.00 C ATOM 877 C TYR A 66 2.536 1.167 4.318 1.00 0.00 C ATOM 878 O TYR A 66 1.763 0.454 3.680 1.00 0.00 O ATOM 879 CB TYR A 66 2.871 3.284 3.028 1.00 0.00 C ATOM 880 CG TYR A 66 3.835 4.318 2.492 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.871 4.804 3.279 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.709 4.809 1.198 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.754 5.750 2.794 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.587 5.754 0.704 1.00 0.00 C ATOM 885 CZ TYR A 66 5.608 6.221 1.506 1.00 0.00 C ATOM 886 OH TYR A 66 6.485 7.162 1.018 1.00 0.00 O ATOM 0 H TYR A 66 3.619 0.737 1.968 1.00 0.00 H new ATOM 0 HA TYR A 66 4.309 2.361 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.199 2.976 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.255 3.741 3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.989 4.436 4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.911 4.445 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.554 6.118 3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.475 6.125 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 66 6.541 7.913 1.645 1.00 0.00 H new ATOM 896 N ASN A 67 2.539 1.225 5.646 1.00 0.00 N ATOM 897 CA ASN A 67 1.612 0.434 6.447 1.00 0.00 C ATOM 898 C ASN A 67 0.166 0.794 6.119 1.00 0.00 C ATOM 899 O ASN A 67 -0.327 1.852 6.512 1.00 0.00 O ATOM 900 CB ASN A 67 1.878 0.654 7.938 1.00 0.00 C ATOM 901 CG ASN A 67 3.148 -0.029 8.405 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.292 -1.306 8.068 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 3.991 0.584 9.060 1.00 0.00 N flip ATOM 0 H ASN A 67 3.173 1.811 6.190 1.00 0.00 H new ATOM 0 HA ASN A 67 1.770 -0.618 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.949 1.723 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.033 0.277 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.839 1.565 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.841 0.111 9.366 1.00 0.00 H new ATOM 910 N PHE A 68 -0.510 -0.093 5.396 1.00 0.00 N ATOM 911 CA PHE A 68 -1.899 0.131 5.014 1.00 0.00 C ATOM 912 C PHE A 68 -2.850 -0.510 6.021 1.00 0.00 C ATOM 913 O PHE A 68 -2.596 -1.607 6.518 1.00 0.00 O ATOM 914 CB PHE A 68 -2.163 -0.432 3.616 1.00 0.00 C ATOM 915 CG PHE A 68 -3.578 -0.242 3.151 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.071 1.026 2.888 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.416 -1.332 2.976 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.373 1.203 2.461 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.719 -1.160 2.548 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.198 0.109 2.289 1.00 0.00 C ATOM 0 H PHE A 68 -0.118 -0.974 5.063 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.078 1.206 5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.488 0.047 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.927 -1.496 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.430 1.886 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.047 -2.327 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.746 2.197 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.362 -2.018 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.215 0.246 1.953 1.00 0.00 H new ATOM 930 N GLN A 69 -3.945 0.183 6.316 1.00 0.00 N ATOM 931 CA GLN A 69 -4.933 -0.317 7.265 1.00 0.00 C ATOM 932 C GLN A 69 -6.349 -0.018 6.784 1.00 0.00 C ATOM 933 O GLN A 69 -6.805 1.123 6.838 1.00 0.00 O ATOM 934 CB GLN A 69 -4.707 0.304 8.644 1.00 0.00 C ATOM 935 CG GLN A 69 -4.906 1.811 8.672 1.00 0.00 C ATOM 936 CD GLN A 69 -4.238 2.465 9.866 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.874 2.711 10.891 1.00 0.00 O ATOM 938 NE2 GLN A 69 -2.947 2.751 9.739 1.00 0.00 N ATOM 0 H GLN A 69 -4.170 1.092 5.912 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.815 -1.398 7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.389 -0.158 9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.695 0.073 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.507 2.244 7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.973 2.033 8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.459 2.530 8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.444 3.192 10.509 1.00 0.00 H new ATOM 947 N GLY A 70 -7.040 -1.052 6.313 1.00 0.00 N ATOM 948 CA GLY A 70 -8.397 -0.878 5.830 1.00 0.00 C ATOM 949 C GLY A 70 -9.435 -1.236 6.874 1.00 0.00 C ATOM 950 O GLY A 70 -9.205 -1.066 8.072 1.00 0.00 O ATOM 0 H GLY A 70 -6.684 -2.006 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.539 0.158 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.547 -1.498 4.946 1.00 0.00 H new ATOM 954 N SER A 71 -10.582 -1.732 6.421 1.00 0.00 N ATOM 955 CA SER A 71 -11.662 -2.109 7.325 1.00 0.00 C ATOM 956 C SER A 71 -12.102 -3.549 7.075 1.00 0.00 C ATOM 957 O SER A 71 -12.266 -4.331 8.010 1.00 0.00 O ATOM 958 CB SER A 71 -12.853 -1.164 7.155 1.00 0.00 C ATOM 959 OG SER A 71 -13.931 -1.546 7.992 1.00 0.00 O ATOM 0 H SER A 71 -10.787 -1.882 5.433 1.00 0.00 H new ATOM 0 HA SER A 71 -11.290 -2.032 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.549 -0.144 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.178 -1.167 6.115 1.00 0.00 H new ATOM 0 HG SER A 71 -14.679 -0.926 7.866 1.00 0.00 H new ATOM 965 N GLY A 72 -12.291 -3.891 5.804 1.00 0.00 N ATOM 966 CA GLY A 72 -12.709 -5.235 5.452 1.00 0.00 C ATOM 967 C GLY A 72 -12.899 -5.411 3.959 1.00 0.00 C ATOM 968 O GLY A 72 -13.107 -4.439 3.234 1.00 0.00 O ATOM 0 H GLY A 72 -12.162 -3.261 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.965 -5.948 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.643 -5.467 5.964 1.00 0.00 H new ATOM 972 N ALA A 73 -12.825 -6.655 3.497 1.00 0.00 N ATOM 973 CA ALA A 73 -12.991 -6.955 2.080 1.00 0.00 C ATOM 974 C ALA A 73 -14.064 -6.071 1.454 1.00 0.00 C ATOM 975 O ALA A 73 -14.982 -5.598 2.124 1.00 0.00 O ATOM 976 CB ALA A 73 -13.337 -8.425 1.889 1.00 0.00 C ATOM 0 H ALA A 73 -12.651 -7.471 4.083 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.047 -6.747 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.458 -8.635 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.535 -9.043 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.266 -8.651 2.412 1.00 0.00 H new ATOM 982 N PRO A 74 -13.947 -5.841 0.137 1.00 0.00 N ATOM 983 CA PRO A 74 -12.858 -6.398 -0.670 1.00 0.00 C ATOM 984 C PRO A 74 -11.510 -5.766 -0.341 1.00 0.00 C ATOM 985 O PRO A 74 -10.481 -6.158 -0.889 1.00 0.00 O ATOM 986 CB PRO A 74 -13.271 -6.059 -2.105 1.00 0.00 C ATOM 987 CG PRO A 74 -14.148 -4.862 -1.974 1.00 0.00 C ATOM 988 CD PRO A 74 -14.869 -5.018 -0.663 1.00 0.00 C ATOM 0 HA PRO A 74 -12.723 -7.465 -0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.402 -5.847 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.802 -6.889 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.560 -3.944 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.854 -4.803 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.059 -4.054 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.835 -5.506 -0.791 1.00 0.00 H new ATOM 996 N GLN A 75 -11.525 -4.787 0.558 1.00 0.00 N ATOM 997 CA GLN A 75 -10.302 -4.101 0.959 1.00 0.00 C ATOM 998 C GLN A 75 -9.425 -5.008 1.816 1.00 0.00 C ATOM 999 O GLN A 75 -9.890 -5.592 2.796 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.639 -2.822 1.728 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.557 -1.879 0.968 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.416 -1.033 1.887 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -13.613 -0.862 1.655 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -11.808 -0.498 2.940 1.00 0.00 N ATOM 0 H GLN A 75 -12.369 -4.451 1.022 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.749 -3.839 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.110 -3.090 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.714 -2.299 1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.957 -1.226 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.201 -2.459 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.814 -0.666 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.335 0.080 3.594 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.156 -5.122 1.441 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.214 -5.959 2.176 1.00 0.00 C ATOM 1015 C LEU A 76 -6.089 -5.118 2.771 1.00 0.00 C ATOM 1016 O LEU A 76 -5.579 -4.201 2.128 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.631 -7.033 1.256 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.356 -7.719 1.748 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.695 -8.870 2.682 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.527 -8.211 0.571 1.00 0.00 C ATOM 0 H LEU A 76 -7.756 -4.646 0.633 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.753 -6.441 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.392 -7.797 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.425 -6.579 0.287 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.765 -6.990 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.775 -9.346 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.246 -8.490 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.307 -9.600 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.624 -8.696 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.110 -8.924 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.253 -7.365 -0.060 1.00 0.00 H new ATOM 1032 N SER A 77 -5.705 -5.440 4.002 1.00 0.00 N ATOM 1033 CA SER A 77 -4.641 -4.713 4.685 1.00 0.00 C ATOM 1034 C SER A 77 -3.270 -5.155 4.180 1.00 0.00 C ATOM 1035 O SER A 77 -3.136 -6.207 3.553 1.00 0.00 O ATOM 1036 CB SER A 77 -4.734 -4.932 6.197 1.00 0.00 C ATOM 1037 OG SER A 77 -4.789 -6.313 6.510 1.00 0.00 O ATOM 0 H SER A 77 -6.114 -6.199 4.547 1.00 0.00 H new ATOM 0 HA SER A 77 -4.764 -3.652 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.872 -4.479 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.621 -4.432 6.586 1.00 0.00 H new ATOM 0 HG SER A 77 -4.846 -6.426 7.482 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.255 -4.344 4.457 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.894 -4.649 4.031 1.00 0.00 C ATOM 1045 C LEU A 78 0.121 -4.149 5.054 1.00 0.00 C ATOM 1046 O LEU A 78 -0.163 -3.235 5.828 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.612 -4.019 2.666 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.028 -4.845 1.448 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.890 -4.024 0.175 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.198 -6.117 1.357 1.00 0.00 C ATOM 0 H LEU A 78 -2.349 -3.470 4.975 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.799 -5.732 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.122 -3.057 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.457 -3.816 2.595 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.075 -5.126 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.190 -4.628 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.528 -3.143 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.147 -3.713 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.508 -6.692 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.857 -5.857 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.347 -6.714 2.257 1.00 0.00 H new ATOM 1062 N GLN A 79 1.305 -4.753 5.049 1.00 0.00 N ATOM 1063 CA GLN A 79 2.363 -4.367 5.975 1.00 0.00 C ATOM 1064 C GLN A 79 3.666 -4.093 5.231 1.00 0.00 C ATOM 1065 O GLN A 79 4.046 -4.842 4.330 1.00 0.00 O ATOM 1066 CB GLN A 79 2.580 -5.463 7.020 1.00 0.00 C ATOM 1067 CG GLN A 79 1.678 -5.330 8.237 1.00 0.00 C ATOM 1068 CD GLN A 79 1.528 -6.633 8.998 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.434 -7.052 9.718 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.380 -7.281 8.841 1.00 0.00 N ATOM 0 H GLN A 79 1.556 -5.511 4.414 1.00 0.00 H new ATOM 0 HA GLN A 79 2.054 -3.451 6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.410 -6.435 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.620 -5.443 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.084 -4.569 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.694 -4.984 7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.344 -6.896 8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.222 -8.163 9.328 1.00 0.00 H new ATOM 1079 N ILE A 80 4.345 -3.017 5.612 1.00 0.00 N ATOM 1080 CA ILE A 80 5.605 -2.646 4.981 1.00 0.00 C ATOM 1081 C ILE A 80 6.573 -3.823 4.952 1.00 0.00 C ATOM 1082 O ILE A 80 6.775 -4.499 5.960 1.00 0.00 O ATOM 1083 CB ILE A 80 6.272 -1.464 5.709 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.334 -0.256 5.733 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.590 -1.105 5.038 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.850 0.893 6.571 1.00 0.00 C ATOM 0 H ILE A 80 4.044 -2.386 6.355 1.00 0.00 H new ATOM 0 HA ILE A 80 5.371 -2.347 3.959 1.00 0.00 H new ATOM 0 HB ILE A 80 6.479 -1.760 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.176 0.092 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.363 -0.568 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.050 -0.268 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.260 -1.964 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.406 -0.825 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.134 1.715 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.981 0.562 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.807 1.232 6.174 1.00 0.00 H new ATOM 1098 N GLY A 81 7.172 -4.062 3.790 1.00 0.00 N ATOM 1099 CA GLY A 81 8.114 -5.157 3.651 1.00 0.00 C ATOM 1100 C GLY A 81 7.435 -6.465 3.296 1.00 0.00 C ATOM 1101 O GLY A 81 8.052 -7.528 3.353 1.00 0.00 O ATOM 0 H GLY A 81 7.022 -3.516 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.843 -4.909 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.665 -5.279 4.584 1.00 0.00 H new ATOM 1105 N ASP A 82 6.160 -6.387 2.930 1.00 0.00 N ATOM 1106 CA ASP A 82 5.396 -7.574 2.564 1.00 0.00 C ATOM 1107 C ASP A 82 5.103 -7.592 1.067 1.00 0.00 C ATOM 1108 O ASP A 82 4.684 -6.586 0.494 1.00 0.00 O ATOM 1109 CB ASP A 82 4.087 -7.626 3.354 1.00 0.00 C ATOM 1110 CG ASP A 82 4.314 -7.632 4.852 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.311 -7.030 5.303 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.495 -8.238 5.575 1.00 0.00 O ATOM 0 H ASP A 82 5.634 -5.515 2.879 1.00 0.00 H new ATOM 0 HA ASP A 82 5.994 -8.452 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.470 -6.768 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.530 -8.519 3.070 1.00 0.00 H new ATOM 1117 N VAL A 83 5.328 -8.741 0.439 1.00 0.00 N ATOM 1118 CA VAL A 83 5.088 -8.891 -0.991 1.00 0.00 C ATOM 1119 C VAL A 83 3.742 -9.556 -1.256 1.00 0.00 C ATOM 1120 O VAL A 83 3.299 -10.412 -0.491 1.00 0.00 O ATOM 1121 CB VAL A 83 6.199 -9.720 -1.663 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.950 -9.834 -3.159 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.563 -9.105 -1.387 1.00 0.00 C ATOM 0 H VAL A 83 5.676 -9.582 0.898 1.00 0.00 H new ATOM 0 HA VAL A 83 5.085 -7.888 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 83 6.186 -10.724 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.745 -10.423 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.991 -10.323 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.935 -8.838 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.336 -9.703 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.591 -8.090 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.740 -9.081 -0.312 1.00 0.00 H new ATOM 1133 N VAL A 84 3.095 -9.156 -2.346 1.00 0.00 N ATOM 1134 CA VAL A 84 1.800 -9.714 -2.715 1.00 0.00 C ATOM 1135 C VAL A 84 1.752 -10.060 -4.198 1.00 0.00 C ATOM 1136 O VAL A 84 2.315 -9.349 -5.031 1.00 0.00 O ATOM 1137 CB VAL A 84 0.655 -8.736 -2.390 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.557 -8.507 -0.890 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.854 -7.420 -3.127 1.00 0.00 C ATOM 0 H VAL A 84 3.447 -8.447 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 84 1.669 -10.624 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.283 -9.177 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.257 -7.814 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.364 -9.456 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.494 -8.088 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.036 -6.741 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.800 -6.972 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.869 -7.603 -4.201 1.00 0.00 H new ATOM 1149 N ARG A 85 1.076 -11.158 -4.523 1.00 0.00 N ATOM 1150 CA ARG A 85 0.955 -11.599 -5.907 1.00 0.00 C ATOM 1151 C ARG A 85 -0.175 -10.859 -6.617 1.00 0.00 C ATOM 1152 O ARG A 85 -1.351 -11.164 -6.419 1.00 0.00 O ATOM 1153 CB ARG A 85 0.705 -13.108 -5.963 1.00 0.00 C ATOM 1154 CG ARG A 85 1.032 -13.729 -7.311 1.00 0.00 C ATOM 1155 CD ARG A 85 2.531 -13.914 -7.490 1.00 0.00 C ATOM 1156 NE ARG A 85 2.867 -14.399 -8.826 1.00 0.00 N ATOM 1157 CZ ARG A 85 4.088 -14.337 -9.345 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.084 -13.814 -8.643 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.315 -14.800 -10.568 1.00 0.00 N ATOM 0 H ARG A 85 0.604 -11.758 -3.846 1.00 0.00 H new ATOM 0 HA ARG A 85 1.891 -11.373 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.303 -13.596 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.341 -13.304 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.532 -14.694 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.645 -13.095 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.037 -12.965 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.901 -14.618 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 85 2.123 -14.808 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.913 -13.458 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.021 -13.767 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.551 -15.204 -11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.253 -14.752 -10.966 1.00 0.00 H new ATOM 1173 N ILE A 86 0.191 -9.885 -7.444 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.791 -9.103 -8.184 1.00 0.00 C ATOM 1175 C ILE A 86 -1.445 -9.936 -9.280 1.00 0.00 C ATOM 1176 O ILE A 86 -0.763 -10.611 -10.050 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.153 -7.852 -8.817 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.439 -6.950 -7.732 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.181 -7.093 -9.642 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.510 -6.012 -8.243 1.00 0.00 C ATOM 0 H ILE A 86 1.160 -9.619 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.550 -8.791 -7.467 1.00 0.00 H new ATOM 0 HB ILE A 86 0.653 -8.169 -9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.362 -6.363 -7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.860 -7.573 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.715 -6.212 -10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.559 -7.738 -10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.006 -6.784 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.884 -5.404 -7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.330 -6.592 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.089 -5.363 -9.011 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.771 -9.882 -9.346 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.518 -10.631 -10.349 1.00 0.00 C ATOM 1194 C GLN A 87 -4.271 -9.689 -11.283 1.00 0.00 C ATOM 1195 O GLN A 87 -4.432 -9.975 -12.469 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.499 -11.591 -9.674 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.823 -12.643 -8.810 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.636 -13.918 -8.699 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.822 -13.942 -9.031 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.002 -14.986 -8.230 1.00 0.00 N ATOM 0 H GLN A 87 -3.350 -9.327 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.806 -11.207 -10.940 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.191 -11.017 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.093 -12.089 -10.441 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.844 -12.876 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.655 -12.236 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.019 -14.921 -7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.498 -15.872 -8.133 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.729 -8.566 -10.740 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.467 -7.584 -11.526 1.00 0.00 C ATOM 1211 C GLU A 88 -5.226 -6.173 -10.996 1.00 0.00 C ATOM 1212 O GLU A 88 -4.757 -5.990 -9.872 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.963 -7.900 -11.505 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.711 -7.386 -12.723 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.191 -7.717 -12.683 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.793 -7.603 -11.595 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -9.745 -8.090 -13.737 1.00 0.00 O ATOM 0 H GLU A 88 -4.602 -8.313 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.108 -7.635 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.097 -8.980 -11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.405 -7.466 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.586 -6.305 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.271 -7.816 -13.623 1.00 0.00 H new ATOM 1224 N THR A 89 -5.551 -5.177 -11.815 1.00 0.00 N ATOM 1225 CA THR A 89 -5.369 -3.782 -11.431 1.00 0.00 C ATOM 1226 C THR A 89 -6.533 -2.923 -11.914 1.00 0.00 C ATOM 1227 O THR A 89 -6.826 -2.874 -13.109 1.00 0.00 O ATOM 1228 CB THR A 89 -4.055 -3.211 -11.996 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.979 -4.123 -11.752 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.737 -1.863 -11.367 1.00 0.00 C ATOM 0 H THR A 89 -5.941 -5.310 -12.748 1.00 0.00 H new ATOM 0 HA THR A 89 -5.329 -3.756 -10.342 1.00 0.00 H new ATOM 0 HB THR A 89 -4.177 -3.073 -13.070 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.393 -3.759 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.805 -1.479 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.544 -1.163 -11.580 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.634 -1.980 -10.288 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.192 -2.249 -10.978 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.324 -1.391 -11.309 1.00 0.00 C ATOM 1240 C CYS A 90 -8.011 0.068 -10.994 1.00 0.00 C ATOM 1241 O CYS A 90 -7.544 0.392 -9.903 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.569 -1.835 -10.540 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.978 -0.714 -10.704 1.00 0.00 S ATOM 0 H CYS A 90 -6.962 -2.280 -9.985 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.515 -1.480 -12.378 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.864 -2.825 -10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.316 -1.931 -9.484 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.982 -1.176 -10.020 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.270 0.946 -11.959 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.008 2.360 -11.766 1.00 0.00 C ATOM 1251 C GLY A 91 -6.777 2.611 -10.918 1.00 0.00 C ATOM 1252 O GLY A 91 -5.652 2.561 -11.415 1.00 0.00 O ATOM 0 H GLY A 91 -8.657 0.703 -12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.880 2.839 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.873 2.825 -11.293 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.990 2.883 -9.635 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.889 3.144 -8.716 1.00 0.00 C ATOM 1258 C ASP A 92 -5.927 2.179 -7.535 1.00 0.00 C ATOM 1259 O ASP A 92 -5.880 2.596 -6.378 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.947 4.587 -8.213 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.235 5.576 -9.325 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.543 5.521 -10.363 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.154 6.405 -9.158 1.00 0.00 O ATOM 0 H ASP A 92 -7.915 2.928 -9.208 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.954 2.993 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.718 4.671 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.999 4.842 -7.740 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.012 0.888 -7.835 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.058 -0.137 -6.798 1.00 0.00 C ATOM 1270 C TRP A 93 -5.587 -1.482 -7.340 1.00 0.00 C ATOM 1271 O TRP A 93 -6.010 -1.911 -8.414 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.477 -0.266 -6.242 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.915 0.929 -5.449 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.363 2.120 -5.943 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.944 1.047 -4.023 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.669 2.972 -4.910 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.422 2.337 -3.721 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.616 0.187 -2.971 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.577 2.786 -2.413 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.770 0.635 -1.672 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.248 1.924 -1.402 1.00 0.00 C ATOM 0 H TRP A 93 -6.050 0.526 -8.788 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.386 0.165 -5.994 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.171 -0.419 -7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.533 -1.153 -5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.462 2.357 -6.992 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -9.023 3.923 -5.011 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.249 -0.809 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.944 3.780 -2.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.517 -0.020 -0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.359 2.244 -0.376 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.709 -2.142 -6.593 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.180 -3.437 -7.000 1.00 0.00 C ATOM 1294 C TYR A 94 -4.988 -4.575 -6.384 1.00 0.00 C ATOM 1295 O TYR A 94 -5.418 -4.493 -5.233 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.710 -3.562 -6.593 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.763 -2.825 -7.513 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.846 -2.972 -8.892 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.784 -1.981 -7.002 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.982 -2.301 -9.735 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.083 -1.305 -7.838 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.019 -1.469 -9.204 1.00 0.00 C ATOM 1303 OH TYR A 94 0.843 -0.798 -10.041 1.00 0.00 O ATOM 0 H TYR A 94 -4.349 -1.801 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.257 -3.507 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.589 -3.181 -5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.436 -4.617 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.599 -3.622 -9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.700 -1.852 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.060 -2.427 -10.805 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.837 -0.651 -7.425 1.00 0.00 H new ATOM 0 HH TYR A 94 1.459 -0.253 -9.508 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.191 -5.636 -7.159 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.948 -6.790 -6.691 1.00 0.00 C ATOM 1315 C ARG A 95 -5.044 -8.012 -6.551 1.00 0.00 C ATOM 1316 O ARG A 95 -4.195 -8.270 -7.403 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.095 -7.099 -7.654 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.305 -7.725 -6.979 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.056 -8.648 -7.926 1.00 0.00 C ATOM 1320 NE ARG A 95 -10.462 -8.784 -7.557 1.00 0.00 N ATOM 1321 CZ ARG A 95 -11.349 -9.460 -8.279 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -10.977 -10.059 -9.401 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -12.612 -9.538 -7.877 1.00 0.00 N ATOM 0 H ARG A 95 -4.842 -5.720 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.360 -6.550 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.402 -6.177 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.734 -7.773 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.984 -8.286 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.974 -6.939 -6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.984 -8.261 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.584 -9.631 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.781 -8.336 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.007 -10.002 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.660 -10.577 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.902 -9.079 -7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.293 -10.057 -8.432 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.233 -8.761 -5.468 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.428 -9.946 -5.236 1.00 0.00 C ATOM 1339 C GLY A 96 -4.557 -10.465 -3.818 1.00 0.00 C ATOM 1340 O GLY A 96 -5.613 -10.340 -3.197 1.00 0.00 O ATOM 0 H GLY A 96 -5.929 -8.568 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.727 -10.727 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.382 -9.717 -5.442 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.481 -11.051 -3.304 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.480 -11.596 -1.951 1.00 0.00 C ATOM 1346 C TYR A 97 -2.060 -11.683 -1.401 1.00 0.00 C ATOM 1347 O TYR A 97 -1.085 -11.627 -2.152 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.131 -12.980 -1.936 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.429 -13.989 -2.816 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.137 -14.412 -2.527 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.057 -14.519 -3.936 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.491 -15.334 -3.329 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.419 -15.442 -4.743 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.137 -15.846 -4.435 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.498 -16.764 -5.237 1.00 0.00 O ATOM 0 H TYR A 97 -2.599 -11.161 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.056 -10.924 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.148 -13.353 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.168 -12.888 -2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.629 -14.014 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.061 -14.204 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.487 -15.652 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.922 -15.845 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.091 -17.025 -5.972 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.951 -11.821 -0.084 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.650 -11.917 0.570 1.00 0.00 C ATOM 1367 C LEU A 98 -0.014 -13.280 0.319 1.00 0.00 C ATOM 1368 O LEU A 98 -0.512 -14.304 0.787 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.795 -11.678 2.074 1.00 0.00 C ATOM 1370 CG LEU A 98 0.418 -11.067 2.776 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.863 -9.798 2.066 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.100 -10.779 4.236 1.00 0.00 C ATOM 0 H LEU A 98 -2.747 -11.869 0.552 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.000 -11.150 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.652 -11.024 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.025 -12.630 2.552 1.00 0.00 H new ATOM 0 HG LEU A 98 1.236 -11.786 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.727 -9.377 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.132 -10.033 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.049 -9.073 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.975 -10.344 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.733 -10.079 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.170 -11.707 4.740 1.00 0.00 H new ATOM 1384 N ILE A 99 1.090 -13.285 -0.421 1.00 0.00 N ATOM 1385 CA ILE A 99 1.796 -14.521 -0.731 1.00 0.00 C ATOM 1386 C ILE A 99 2.126 -15.299 0.538 1.00 0.00 C ATOM 1387 O ILE A 99 1.769 -16.470 0.673 1.00 0.00 O ATOM 1388 CB ILE A 99 3.099 -14.247 -1.505 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.805 -13.446 -2.775 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.798 -15.554 -1.847 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.049 -12.958 -3.484 1.00 0.00 C ATOM 0 H ILE A 99 1.514 -12.446 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 99 1.130 -15.116 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 99 3.762 -13.658 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.226 -14.066 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.183 -12.588 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.717 -15.343 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.037 -16.090 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.141 -16.167 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.764 -12.398 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.619 -12.312 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.662 -13.812 -3.772 1.00 0.00 H new ATOM 1403 N LYS A 100 2.809 -14.640 1.468 1.00 0.00 N ATOM 1404 CA LYS A 100 3.185 -15.268 2.730 1.00 0.00 C ATOM 1405 C LYS A 100 1.971 -15.889 3.412 1.00 0.00 C ATOM 1406 O LYS A 100 2.093 -16.869 4.148 1.00 0.00 O ATOM 1407 CB LYS A 100 3.837 -14.241 3.659 1.00 0.00 C ATOM 1408 CG LYS A 100 3.042 -12.954 3.796 1.00 0.00 C ATOM 1409 CD LYS A 100 3.513 -12.130 4.983 1.00 0.00 C ATOM 1410 CE LYS A 100 4.687 -11.238 4.611 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.556 -10.948 5.786 1.00 0.00 N ATOM 0 H LYS A 100 3.114 -13.671 1.372 1.00 0.00 H new ATOM 0 HA LYS A 100 3.902 -16.060 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.965 -14.686 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.833 -14.005 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.139 -12.367 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.984 -13.190 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.691 -11.516 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.803 -12.795 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.278 -11.721 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.315 -10.302 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.345 -10.337 5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.999 -10.465 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.932 -11.839 6.168 1.00 0.00 H new ATOM 1425 N HIS A 101 0.799 -15.313 3.163 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.439 -15.812 3.753 1.00 0.00 C ATOM 1427 C HIS A 101 -1.608 -15.640 2.788 1.00 0.00 C ATOM 1428 O HIS A 101 -2.108 -14.531 2.593 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.733 -15.084 5.065 1.00 0.00 C ATOM 1430 CG HIS A 101 0.403 -15.126 6.041 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.802 -16.280 6.681 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.226 -14.148 6.483 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.821 -16.009 7.477 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.099 -14.722 7.375 1.00 0.00 N ATOM 0 H HIS A 101 0.680 -14.501 2.557 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.313 -16.875 3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.976 -14.044 4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.615 -15.527 5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.201 -13.109 6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.339 -16.719 8.105 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.841 -14.234 7.877 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.040 -16.743 2.186 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.151 -16.715 1.242 1.00 0.00 C ATOM 1445 C LYS A 102 -4.488 -16.790 1.972 1.00 0.00 C ATOM 1446 O LYS A 102 -5.481 -17.264 1.421 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.033 -17.875 0.250 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.216 -17.538 -0.985 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.650 -18.366 -2.183 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.883 -19.677 -2.262 1.00 0.00 C ATOM 1451 NZ LYS A 102 -0.632 -19.540 -3.058 1.00 0.00 N ATOM 0 H LYS A 102 -1.637 -17.668 2.335 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.108 -15.772 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.579 -18.728 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.033 -18.182 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.324 -16.478 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.160 -17.714 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.718 -18.572 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.492 -17.795 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.638 -20.016 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.517 -20.442 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.138 -20.455 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.867 -19.241 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.016 -18.828 -2.616 1.00 0.00 H new ATOM 1465 N MET A 103 -4.505 -16.318 3.215 1.00 0.00 N ATOM 1466 CA MET A 103 -5.722 -16.330 4.019 1.00 0.00 C ATOM 1467 C MET A 103 -6.388 -14.958 4.017 1.00 0.00 C ATOM 1468 O MET A 103 -7.498 -14.795 4.526 1.00 0.00 O ATOM 1469 CB MET A 103 -5.405 -16.754 5.455 1.00 0.00 C ATOM 1470 CG MET A 103 -4.912 -18.186 5.571 1.00 0.00 C ATOM 1471 SD MET A 103 -3.283 -18.422 4.834 1.00 0.00 S ATOM 1472 CE MET A 103 -2.245 -18.402 6.293 1.00 0.00 C ATOM 0 H MET A 103 -3.691 -15.923 3.686 1.00 0.00 H new ATOM 0 HA MET A 103 -6.412 -17.050 3.579 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.649 -16.084 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.300 -16.636 6.066 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.875 -18.469 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 103 -5.626 -18.852 5.086 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.204 -18.537 6.001 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.357 -17.447 6.806 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.542 -19.210 6.962 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.705 -13.974 3.441 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.232 -12.616 3.373 1.00 0.00 C ATOM 1484 C LEU A 104 -6.217 -12.098 1.938 1.00 0.00 C ATOM 1485 O LEU A 104 -5.162 -11.762 1.401 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.414 -11.685 4.271 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.934 -12.281 5.595 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.659 -13.084 5.387 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.714 -11.184 6.625 1.00 0.00 C ATOM 0 H LEU A 104 -4.786 -14.092 3.015 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.264 -12.635 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.542 -11.346 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.016 -10.803 4.490 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.705 -12.953 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.332 -13.501 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.850 -13.894 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.880 -12.434 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.373 -11.627 7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.962 -10.486 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.650 -10.652 6.795 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.395 -12.035 1.325 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.517 -11.556 -0.046 1.00 0.00 C ATOM 1503 C GLN A 105 -8.337 -10.271 -0.104 1.00 0.00 C ATOM 1504 O GLN A 105 -9.213 -10.044 0.730 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.163 -12.627 -0.927 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.596 -14.020 -0.706 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.602 -15.114 -1.004 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.453 -14.968 -1.882 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -8.510 -16.219 -0.273 1.00 0.00 N ATOM 0 H GLN A 105 -8.278 -12.310 1.756 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.515 -11.343 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.236 -12.646 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.032 -12.352 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.719 -14.156 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.261 -14.112 0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.789 -16.297 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.160 -16.989 -0.429 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.046 -9.433 -1.094 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.765 -8.181 -1.241 1.00 0.00 C ATOM 1520 C GLY A 106 -8.075 -7.224 -2.193 1.00 0.00 C ATOM 1521 O GLY A 106 -7.456 -7.649 -3.169 1.00 0.00 O ATOM 0 H GLY A 106 -7.325 -9.599 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.773 -8.385 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.867 -7.707 -0.265 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.182 -5.930 -1.910 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.563 -4.912 -2.749 1.00 0.00 C ATOM 1527 C ILE A 107 -6.765 -3.919 -1.911 1.00 0.00 C ATOM 1528 O ILE A 107 -6.887 -3.885 -0.686 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.615 -4.144 -3.570 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.676 -3.542 -2.646 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.260 -5.062 -4.598 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.629 -2.603 -3.351 1.00 0.00 C ATOM 0 H ILE A 107 -8.691 -5.562 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.890 -5.432 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.117 -3.331 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.247 -4.349 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.180 -3.004 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.001 -4.504 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.495 -5.447 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.746 -5.894 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.353 -2.214 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.069 -1.775 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.153 -3.142 -4.141 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.949 -3.110 -2.579 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.131 -2.115 -1.895 1.00 0.00 C ATOM 1546 C PHE A 108 -4.712 -1.004 -2.854 1.00 0.00 C ATOM 1547 O PHE A 108 -4.733 -1.163 -4.075 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.892 -2.773 -1.286 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.414 -3.974 -2.052 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.493 -3.836 -3.079 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.885 -5.240 -1.745 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -2.051 -4.939 -3.785 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.446 -6.347 -2.448 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.529 -6.195 -3.470 1.00 0.00 C ATOM 0 H PHE A 108 -5.837 -3.124 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.729 -1.676 -1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.087 -2.039 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.115 -3.070 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.117 -2.855 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.603 -5.364 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.332 -4.818 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.820 -7.329 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.187 -7.058 -4.022 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.323 0.148 -2.289 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.892 1.309 -3.074 1.00 0.00 C ATOM 1566 C PRO A 109 -2.549 1.078 -3.760 1.00 0.00 C ATOM 1567 O PRO A 109 -1.575 0.677 -3.123 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.774 2.421 -2.029 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.525 1.708 -0.745 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.274 0.408 -0.840 1.00 0.00 C ATOM 0 HA PRO A 109 -4.589 1.537 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.958 3.104 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.685 3.017 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.459 1.534 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.874 2.298 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.761 -0.391 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.273 0.488 -0.412 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.504 1.333 -5.063 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.281 1.155 -5.837 1.00 0.00 C ATOM 1580 C LYS A 110 -0.159 2.031 -5.289 1.00 0.00 C ATOM 1581 O LYS A 110 1.016 1.668 -5.360 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.531 1.490 -7.309 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.920 1.112 -7.791 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.923 0.768 -9.271 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.522 1.964 -10.122 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.887 1.774 -11.553 1.00 0.00 N ATOM 0 H LYS A 110 -3.301 1.664 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.977 0.111 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.382 2.559 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.790 0.975 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.285 0.260 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.607 1.938 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.236 -0.058 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.916 0.428 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.008 2.861 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.447 2.124 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.286 2.379 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.746 0.778 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.885 2.032 -11.694 1.00 0.00 H new ATOM 1600 N SER A 111 -0.528 3.184 -4.741 1.00 0.00 N ATOM 1601 CA SER A 111 0.449 4.113 -4.183 1.00 0.00 C ATOM 1602 C SER A 111 1.165 3.493 -2.987 1.00 0.00 C ATOM 1603 O SER A 111 2.136 4.050 -2.473 1.00 0.00 O ATOM 1604 CB SER A 111 -0.236 5.414 -3.763 1.00 0.00 C ATOM 1605 OG SER A 111 -0.923 5.256 -2.533 1.00 0.00 O ATOM 0 H SER A 111 -1.496 3.498 -4.671 1.00 0.00 H new ATOM 0 HA SER A 111 1.188 4.332 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.507 6.206 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.937 5.726 -4.537 1.00 0.00 H new ATOM 0 HG SER A 111 -1.351 6.102 -2.286 1.00 0.00 H new ATOM 1611 N PHE A 112 0.680 2.336 -2.548 1.00 0.00 N ATOM 1612 CA PHE A 112 1.272 1.640 -1.412 1.00 0.00 C ATOM 1613 C PHE A 112 2.079 0.430 -1.876 1.00 0.00 C ATOM 1614 O PHE A 112 2.917 -0.090 -1.139 1.00 0.00 O ATOM 1615 CB PHE A 112 0.183 1.196 -0.434 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.342 2.311 0.425 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.984 3.399 -0.144 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.193 2.271 1.802 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.467 4.426 0.644 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.674 3.295 2.595 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.313 4.374 2.016 1.00 0.00 C ATOM 0 H PHE A 112 -0.122 1.861 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 112 1.945 2.331 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.643 0.761 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.581 0.410 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.108 3.445 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.305 1.430 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.965 5.269 0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.550 3.252 3.667 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.691 5.175 2.634 1.00 0.00 H new ATOM 1631 N ILE A 113 1.818 -0.012 -3.102 1.00 0.00 N ATOM 1632 CA ILE A 113 2.519 -1.159 -3.664 1.00 0.00 C ATOM 1633 C ILE A 113 3.687 -0.716 -4.539 1.00 0.00 C ATOM 1634 O ILE A 113 3.559 0.212 -5.339 1.00 0.00 O ATOM 1635 CB ILE A 113 1.574 -2.043 -4.499 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.391 -2.508 -3.647 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.327 -3.238 -5.065 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.802 -3.185 -2.359 1.00 0.00 C ATOM 0 H ILE A 113 1.127 0.407 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 113 2.898 -1.739 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 113 1.190 -1.453 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.237 -1.648 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.218 -3.197 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.645 -3.853 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.140 -2.888 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.736 -3.831 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.088 -3.488 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.405 -4.064 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.386 -2.492 -1.754 1.00 0.00 H new ATOM 1650 N HIS A 114 4.824 -1.385 -4.384 1.00 0.00 N ATOM 1651 CA HIS A 114 6.015 -1.062 -5.162 1.00 0.00 C ATOM 1652 C HIS A 114 6.264 -2.115 -6.237 1.00 0.00 C ATOM 1653 O HIS A 114 6.846 -3.165 -5.967 1.00 0.00 O ATOM 1654 CB HIS A 114 7.234 -0.953 -4.246 1.00 0.00 C ATOM 1655 CG HIS A 114 8.435 -0.357 -4.915 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.439 0.907 -5.466 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.675 -0.860 -5.119 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.630 1.156 -5.981 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.399 0.100 -5.784 1.00 0.00 N ATOM 0 H HIS A 114 4.946 -2.155 -3.726 1.00 0.00 H new ATOM 0 HA HIS A 114 5.850 -0.102 -5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.973 -0.347 -3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.490 -1.946 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.029 -1.834 -4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.925 2.068 -6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.372 0.012 -6.078 1.00 0.00 H new ATOM 1668 N ILE A 115 5.818 -1.826 -7.455 1.00 0.00 N ATOM 1669 CA ILE A 115 5.993 -2.748 -8.571 1.00 0.00 C ATOM 1670 C ILE A 115 7.460 -2.851 -8.974 1.00 0.00 C ATOM 1671 O ILE A 115 8.005 -1.950 -9.612 1.00 0.00 O ATOM 1672 CB ILE A 115 5.165 -2.315 -9.795 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.681 -2.233 -9.431 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.380 -3.282 -10.949 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.080 -3.565 -9.041 1.00 0.00 C ATOM 0 H ILE A 115 5.333 -0.961 -7.694 1.00 0.00 H new ATOM 0 HA ILE A 115 5.642 -3.723 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 115 5.498 -1.326 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.556 -1.532 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.129 -1.829 -10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.788 -2.962 -11.807 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.435 -3.295 -11.221 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.071 -4.283 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.026 -3.431 -8.796 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.173 -4.264 -9.872 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.607 -3.962 -8.173 1.00 0.00 H new ATOM 1687 N LYS A 116 8.095 -3.957 -8.599 1.00 0.00 N ATOM 1688 CA LYS A 116 9.498 -4.181 -8.923 1.00 0.00 C ATOM 1689 C LYS A 116 9.647 -4.763 -10.325 1.00 0.00 C ATOM 1690 O LYS A 116 9.569 -5.977 -10.514 1.00 0.00 O ATOM 1691 CB LYS A 116 10.136 -5.122 -7.899 1.00 0.00 C ATOM 1692 CG LYS A 116 9.939 -4.678 -6.459 1.00 0.00 C ATOM 1693 CD LYS A 116 9.931 -5.861 -5.507 1.00 0.00 C ATOM 1694 CE LYS A 116 8.645 -6.664 -5.625 1.00 0.00 C ATOM 1695 NZ LYS A 116 8.664 -7.875 -4.759 1.00 0.00 N ATOM 0 H LYS A 116 7.659 -4.712 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 116 10.009 -3.219 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.715 -6.120 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.204 -5.198 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.735 -3.989 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.999 -4.133 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.784 -6.505 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.047 -5.506 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.798 -6.035 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.498 -6.962 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.724 -8.015 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.914 -8.707 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.367 -7.750 -4.003 1.00 0.00 H new ATOM 1709 N GLU A 117 9.862 -3.890 -11.304 1.00 0.00 N ATOM 1710 CA GLU A 117 10.021 -4.319 -12.689 1.00 0.00 C ATOM 1711 C GLU A 117 11.470 -4.705 -12.975 1.00 0.00 C ATOM 1712 O GLU A 117 12.191 -3.984 -13.663 1.00 0.00 O ATOM 1713 CB GLU A 117 9.579 -3.209 -13.644 1.00 0.00 C ATOM 1714 CG GLU A 117 9.885 -1.811 -13.136 1.00 0.00 C ATOM 1715 CD GLU A 117 10.025 -0.800 -14.258 1.00 0.00 C ATOM 1716 OE1 GLU A 117 8.988 -0.389 -14.819 1.00 0.00 O ATOM 1717 OE2 GLU A 117 11.172 -0.420 -14.574 1.00 0.00 O ATOM 0 H GLU A 117 9.930 -2.882 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 117 9.392 -5.195 -12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.070 -3.352 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 117 8.506 -3.297 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.091 -1.492 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.807 -1.833 -12.555 1.00 0.00 H new ATOM 1724 N VAL A 118 11.888 -5.848 -12.441 1.00 0.00 N ATOM 1725 CA VAL A 118 13.249 -6.331 -12.639 1.00 0.00 C ATOM 1726 C VAL A 118 13.436 -6.887 -14.046 1.00 0.00 C ATOM 1727 O VAL A 118 14.545 -6.891 -14.582 1.00 0.00 O ATOM 1728 CB VAL A 118 13.612 -7.424 -11.615 1.00 0.00 C ATOM 1729 CG1 VAL A 118 13.833 -6.814 -10.239 1.00 0.00 C ATOM 1730 CG2 VAL A 118 12.527 -8.489 -11.567 1.00 0.00 C ATOM 0 H VAL A 118 11.304 -6.457 -11.868 1.00 0.00 H new ATOM 0 HA VAL A 118 13.911 -5.477 -12.498 1.00 0.00 H new ATOM 0 HB VAL A 118 14.542 -7.898 -11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.088 -7.601 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 118 14.647 -6.091 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 118 12.922 -6.313 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.799 -9.253 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.581 -8.032 -11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 118 12.422 -8.946 -12.551 1.00 0.00 H new ATOM 1740 N THR A 119 12.344 -7.355 -14.642 1.00 0.00 N ATOM 1741 CA THR A 119 12.387 -7.914 -15.987 1.00 0.00 C ATOM 1742 C THR A 119 11.669 -7.008 -16.982 1.00 0.00 C ATOM 1743 O THR A 119 12.301 -6.375 -17.828 1.00 0.00 O ATOM 1744 CB THR A 119 11.749 -9.315 -16.034 1.00 0.00 C ATOM 1745 OG1 THR A 119 11.992 -9.921 -17.308 1.00 0.00 O ATOM 1746 CG2 THR A 119 10.251 -9.237 -15.781 1.00 0.00 C ATOM 0 H THR A 119 11.418 -7.358 -14.214 1.00 0.00 H new ATOM 0 HA THR A 119 13.439 -7.992 -16.263 1.00 0.00 H new ATOM 0 HB THR A 119 12.202 -9.923 -15.251 1.00 0.00 H new ATOM 0 HG1 THR A 119 11.585 -10.812 -17.329 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.823 -10.239 -15.819 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.070 -8.802 -14.798 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.785 -8.614 -16.544 1.00 0.00 H new TER 1754 THR A 119