USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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 22 GLN : amide:sc= -0.179 X(o=-0.15,f=0.03) USER MOD Set 1.2: A 32 TYR OH : rot -84:sc= 0.0299 USER MOD Single : A 1 ASN : amide:sc= -0.234 K(o=-0.23,f=-0.87) USER MOD Single : A 1 ASN N :NH3+ -161:sc= 1.26 (180deg=1.07) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.944 K(o=-0.94,f=-6.2!) USER MOD Single : A 9 MET CE :methyl -166:sc= -0.0056 (180deg=-0.216) USER MOD Single : A 12 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.93) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.44 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.563 K(o=-0.56,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.01 (180deg=-0.386) USER MOD Single : A 56 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 58 ASN : amide:sc= 0.922 K(o=0.92,f=-5.9!) USER MOD Single : A 61 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.6!) USER MOD Single : A 64 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.3!) USER MOD Single : A 65 MET CE :methyl 140:sc= -0.525 (180deg=-2.44) USER MOD Single : A 66 SER OG : rot 87:sc= 0.0928 USER MOD Single : A 67 ASN : amide:sc= -0.0895 K(o=-0.089,f=-2!) USER MOD Single : A 79 SER OG : rot 70:sc= 1.23 USER MOD Single : A 80 GLN : amide:sc= 0.454 K(o=0.45,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0597 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 3.14 (180deg=3.04) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.059 13.036 7.593 1.00 0.00 N ATOM 2 CA ASN A 1 3.823 12.789 8.366 1.00 0.00 C ATOM 3 C ASN A 1 3.234 11.433 8.003 1.00 0.00 C ATOM 4 O ASN A 1 3.038 11.131 6.831 1.00 0.00 O ATOM 5 CB ASN A 1 2.799 13.898 8.104 1.00 0.00 C ATOM 6 CG ASN A 1 1.473 13.634 8.787 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.524 13.157 8.168 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.396 13.943 10.072 1.00 0.00 N ATOM 0 H1 ASN A 1 5.617 13.780 8.058 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.620 12.161 7.546 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.811 13.340 6.630 1.00 0.00 H new ATOM 0 HA ASN A 1 4.073 12.789 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.201 14.849 8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.639 13.994 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.527 13.787 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.206 14.337 10.551 1.00 0.00 H new ATOM 17 N ILE A 2 2.955 10.616 9.007 1.00 0.00 N ATOM 18 CA ILE A 2 2.410 9.287 8.775 1.00 0.00 C ATOM 19 C ILE A 2 0.900 9.268 8.984 1.00 0.00 C ATOM 20 O ILE A 2 0.396 9.755 9.997 1.00 0.00 O ATOM 21 CB ILE A 2 3.060 8.246 9.712 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.585 8.385 9.700 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.653 6.841 9.299 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.273 7.552 10.762 1.00 0.00 C ATOM 0 H ILE A 2 3.097 10.850 9.990 1.00 0.00 H new ATOM 0 HA ILE A 2 2.633 9.027 7.740 1.00 0.00 H new ATOM 0 HB ILE A 2 2.708 8.429 10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.961 8.093 8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.848 9.433 9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.118 6.116 9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.569 6.745 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.980 6.653 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.351 7.698 10.697 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.924 7.859 11.748 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.039 6.499 10.606 1.00 0.00 H new ATOM 36 N ILE A 3 0.182 8.708 8.023 1.00 0.00 N ATOM 37 CA ILE A 3 -1.268 8.615 8.106 1.00 0.00 C ATOM 38 C ILE A 3 -1.723 7.164 7.953 1.00 0.00 C ATOM 39 O ILE A 3 -1.310 6.467 7.025 1.00 0.00 O ATOM 40 CB ILE A 3 -1.958 9.504 7.040 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.861 10.980 7.442 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.418 9.101 6.854 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.542 11.930 6.476 1.00 0.00 C ATOM 0 H ILE A 3 0.581 8.309 7.173 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.563 8.978 9.090 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.444 9.360 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.302 11.106 8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.809 11.255 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.879 9.740 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.470 8.062 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.950 9.213 7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.428 12.954 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.086 11.835 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.602 11.684 6.411 1.00 0.00 H new ATOM 55 N THR A 4 -2.552 6.711 8.886 1.00 0.00 N ATOM 56 CA THR A 4 -3.073 5.352 8.857 1.00 0.00 C ATOM 57 C THR A 4 -4.557 5.370 8.510 1.00 0.00 C ATOM 58 O THR A 4 -5.363 5.948 9.242 1.00 0.00 O ATOM 59 CB THR A 4 -2.882 4.653 10.214 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.665 5.097 10.824 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.846 3.143 10.049 1.00 0.00 C ATOM 0 H THR A 4 -2.878 7.269 9.675 1.00 0.00 H new ATOM 0 HA THR A 4 -2.520 4.799 8.098 1.00 0.00 H new ATOM 0 HB THR A 4 -3.728 4.912 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.550 4.650 11.688 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.710 2.674 11.023 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.784 2.803 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.018 2.868 9.395 1.00 0.00 H new ATOM 69 N VAL A 5 -4.910 4.749 7.393 1.00 0.00 N ATOM 70 CA VAL A 5 -6.298 4.711 6.951 1.00 0.00 C ATOM 71 C VAL A 5 -6.829 3.280 6.907 1.00 0.00 C ATOM 72 O VAL A 5 -6.098 2.347 6.582 1.00 0.00 O ATOM 73 CB VAL A 5 -6.468 5.357 5.553 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.917 6.772 5.543 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.794 4.521 4.476 1.00 0.00 C ATOM 0 H VAL A 5 -4.256 4.265 6.777 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.872 5.284 7.679 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.535 5.398 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.047 7.206 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.451 7.376 6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.856 6.751 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.930 4.999 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.729 4.438 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.239 3.526 4.456 1.00 0.00 H new ATOM 85 N THR A 6 -8.093 3.113 7.260 1.00 0.00 N ATOM 86 CA THR A 6 -8.726 1.807 7.229 1.00 0.00 C ATOM 87 C THR A 6 -9.743 1.781 6.087 1.00 0.00 C ATOM 88 O THR A 6 -10.736 2.512 6.101 1.00 0.00 O ATOM 89 CB THR A 6 -9.393 1.447 8.584 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.178 0.253 8.452 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.260 2.585 9.106 1.00 0.00 C ATOM 0 H THR A 6 -8.702 3.869 7.572 1.00 0.00 H new ATOM 0 HA THR A 6 -7.960 1.050 7.058 1.00 0.00 H new ATOM 0 HB THR A 6 -8.595 1.276 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.592 0.037 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.709 2.294 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.645 3.473 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.047 2.803 8.384 1.00 0.00 H new ATOM 99 N LEU A 7 -9.472 0.965 5.083 1.00 0.00 N ATOM 100 CA LEU A 7 -10.338 0.887 3.915 1.00 0.00 C ATOM 101 C LEU A 7 -11.365 -0.232 4.022 1.00 0.00 C ATOM 102 O LEU A 7 -11.059 -1.341 4.465 1.00 0.00 O ATOM 103 CB LEU A 7 -9.495 0.698 2.654 1.00 0.00 C ATOM 104 CG LEU A 7 -8.433 1.771 2.422 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.574 1.411 1.221 1.00 0.00 C ATOM 106 CD2 LEU A 7 -9.079 3.138 2.236 1.00 0.00 C ATOM 0 H LEU A 7 -8.661 0.347 5.051 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.888 1.826 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.003 -0.273 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.160 0.673 1.791 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.792 1.820 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.821 2.184 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.081 0.455 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.203 1.335 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.304 3.887 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.746 3.111 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.650 3.395 3.128 1.00 0.00 H new ATOM 118 N ASN A 8 -12.587 0.086 3.616 1.00 0.00 N ATOM 119 CA ASN A 8 -13.684 -0.868 3.621 1.00 0.00 C ATOM 120 C ASN A 8 -13.638 -1.703 2.347 1.00 0.00 C ATOM 121 O ASN A 8 -13.856 -1.191 1.245 1.00 0.00 O ATOM 122 CB ASN A 8 -15.030 -0.133 3.726 1.00 0.00 C ATOM 123 CG ASN A 8 -16.230 -1.043 3.504 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.631 -1.301 2.365 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.821 -1.525 4.588 1.00 0.00 N ATOM 0 H ASN A 8 -12.844 1.012 3.275 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.582 -1.525 4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.109 0.328 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.054 0.674 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.636 -2.131 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.461 -1.290 5.513 1.00 0.00 H new ATOM 132 N MET A 9 -13.346 -2.985 2.498 1.00 0.00 N ATOM 133 CA MET A 9 -13.262 -3.886 1.357 1.00 0.00 C ATOM 134 C MET A 9 -14.568 -4.649 1.171 1.00 0.00 C ATOM 135 O MET A 9 -14.608 -5.701 0.531 1.00 0.00 O ATOM 136 CB MET A 9 -12.092 -4.859 1.528 1.00 0.00 C ATOM 137 CG MET A 9 -10.729 -4.204 1.357 1.00 0.00 C ATOM 138 SD MET A 9 -10.474 -3.542 -0.305 1.00 0.00 S ATOM 139 CE MET A 9 -10.309 -5.057 -1.248 1.00 0.00 C ATOM 0 H MET A 9 -13.163 -3.426 3.399 1.00 0.00 H new ATOM 0 HA MET A 9 -13.088 -3.288 0.463 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.147 -5.311 2.518 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.192 -5.666 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.624 -3.399 2.084 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.950 -4.934 1.576 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.904 -4.829 -2.234 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.636 -5.738 -0.728 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.287 -5.526 -1.357 1.00 0.00 H new ATOM 149 N GLU A 10 -15.635 -4.113 1.743 1.00 0.00 N ATOM 150 CA GLU A 10 -16.950 -4.720 1.628 1.00 0.00 C ATOM 151 C GLU A 10 -17.612 -4.259 0.338 1.00 0.00 C ATOM 152 O GLU A 10 -18.106 -5.065 -0.450 1.00 0.00 O ATOM 153 CB GLU A 10 -17.818 -4.341 2.830 1.00 0.00 C ATOM 154 CG GLU A 10 -17.562 -5.194 4.056 1.00 0.00 C ATOM 155 CD GLU A 10 -17.859 -6.652 3.799 1.00 0.00 C ATOM 156 OE1 GLU A 10 -19.009 -6.971 3.429 1.00 0.00 O ATOM 157 OE2 GLU A 10 -16.945 -7.486 3.957 1.00 0.00 O ATOM 0 H GLU A 10 -15.614 -3.255 2.294 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.841 -5.804 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.639 -3.296 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.868 -4.427 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.522 -5.084 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.178 -4.838 4.881 1.00 0.00 H new ATOM 164 N ARG A 11 -17.607 -2.955 0.126 1.00 0.00 N ATOM 165 CA ARG A 11 -18.193 -2.380 -1.071 1.00 0.00 C ATOM 166 C ARG A 11 -17.159 -2.314 -2.189 1.00 0.00 C ATOM 167 O ARG A 11 -17.495 -2.407 -3.370 1.00 0.00 O ATOM 168 CB ARG A 11 -18.730 -0.980 -0.774 1.00 0.00 C ATOM 169 CG ARG A 11 -19.310 -0.279 -1.992 1.00 0.00 C ATOM 170 CD ARG A 11 -19.600 1.184 -1.707 1.00 0.00 C ATOM 171 NE ARG A 11 -19.960 1.920 -2.920 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.838 3.242 -3.059 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.389 3.982 -2.048 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.186 3.822 -4.202 1.00 0.00 N ATOM 0 H ARG A 11 -17.203 -2.274 0.768 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.018 -3.016 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.500 -1.051 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.925 -0.371 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.611 -0.357 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.228 -0.780 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.412 1.258 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.724 1.645 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.328 1.389 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.137 3.539 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.297 4.992 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.546 3.257 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.094 4.832 -4.310 1.00 0.00 H new ATOM 188 N HIS A 12 -15.901 -2.154 -1.803 1.00 0.00 N ATOM 189 CA HIS A 12 -14.815 -2.065 -2.769 1.00 0.00 C ATOM 190 C HIS A 12 -14.185 -3.433 -3.000 1.00 0.00 C ATOM 191 O HIS A 12 -14.172 -4.274 -2.106 1.00 0.00 O ATOM 192 CB HIS A 12 -13.757 -1.068 -2.296 1.00 0.00 C ATOM 193 CG HIS A 12 -14.205 0.357 -2.401 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.261 1.211 -1.321 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.623 1.078 -3.471 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.697 2.392 -1.720 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.924 2.338 -3.018 1.00 0.00 N ATOM 0 H HIS A 12 -15.607 -2.083 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.229 -1.712 -3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.498 -1.286 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.850 -1.202 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.704 0.726 -4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.843 3.257 -1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -15.268 3.108 -3.592 1.00 0.00 H new ATOM 206 N HIS A 13 -13.675 -3.651 -4.205 1.00 0.00 N ATOM 207 CA HIS A 13 -13.054 -4.925 -4.555 1.00 0.00 C ATOM 208 C HIS A 13 -11.556 -4.759 -4.787 1.00 0.00 C ATOM 209 O HIS A 13 -10.824 -5.742 -4.910 1.00 0.00 O ATOM 210 CB HIS A 13 -13.714 -5.513 -5.811 1.00 0.00 C ATOM 211 CG HIS A 13 -15.167 -5.835 -5.641 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.622 -6.850 -4.830 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.274 -5.268 -6.182 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.940 -6.897 -4.878 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.358 -5.945 -5.688 1.00 0.00 N ATOM 0 H HIS A 13 -13.678 -2.963 -4.958 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.200 -5.610 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.603 -4.805 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.182 -6.420 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.297 -4.438 -6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.568 -7.596 -4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.333 -5.744 -5.911 1.00 0.00 H new ATOM 224 N PHE A 14 -11.102 -3.515 -4.852 1.00 0.00 N ATOM 225 CA PHE A 14 -9.692 -3.229 -5.068 1.00 0.00 C ATOM 226 C PHE A 14 -9.309 -1.901 -4.425 1.00 0.00 C ATOM 227 O PHE A 14 -10.174 -1.074 -4.117 1.00 0.00 O ATOM 228 CB PHE A 14 -9.353 -3.228 -6.567 1.00 0.00 C ATOM 229 CG PHE A 14 -10.193 -2.299 -7.400 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.453 -2.684 -7.838 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.722 -1.044 -7.752 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.224 -1.834 -8.606 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.488 -0.191 -8.520 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.742 -0.586 -8.948 1.00 0.00 C ATOM 0 H PHE A 14 -11.691 -2.688 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.110 -4.019 -4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.305 -2.956 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.466 -4.242 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.835 -3.660 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.743 -0.730 -7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.203 -2.145 -8.939 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.108 0.784 -8.787 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.343 0.080 -9.549 1.00 0.00 H new ATOM 244 N LEU A 15 -8.017 -1.699 -4.226 1.00 0.00 N ATOM 245 CA LEU A 15 -7.527 -0.474 -3.608 1.00 0.00 C ATOM 246 C LEU A 15 -7.401 0.639 -4.638 1.00 0.00 C ATOM 247 O LEU A 15 -7.730 1.796 -4.363 1.00 0.00 O ATOM 248 CB LEU A 15 -6.171 -0.707 -2.938 1.00 0.00 C ATOM 249 CG LEU A 15 -6.109 -1.882 -1.959 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.714 -1.990 -1.362 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.153 -1.726 -0.860 1.00 0.00 C ATOM 0 H LEU A 15 -7.288 -2.365 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.250 -0.175 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.424 -0.866 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.888 0.201 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.329 -2.800 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.680 -2.829 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.988 -2.150 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.473 -1.069 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.091 -2.572 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.969 -0.802 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.147 -1.692 -1.305 1.00 0.00 H new ATOM 263 N GLY A 16 -6.945 0.274 -5.829 1.00 0.00 N ATOM 264 CA GLY A 16 -6.768 1.241 -6.893 1.00 0.00 C ATOM 265 C GLY A 16 -5.528 2.092 -6.701 1.00 0.00 C ATOM 266 O GLY A 16 -5.608 3.318 -6.719 1.00 0.00 O ATOM 0 H GLY A 16 -6.693 -0.683 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.703 0.719 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.645 1.887 -6.943 1.00 0.00 H new ATOM 270 N ILE A 17 -4.382 1.443 -6.519 1.00 0.00 N ATOM 271 CA ILE A 17 -3.107 2.149 -6.319 1.00 0.00 C ATOM 272 C ILE A 17 -1.938 1.274 -6.736 1.00 0.00 C ATOM 273 O ILE A 17 -1.600 0.323 -6.038 1.00 0.00 O ATOM 274 CB ILE A 17 -2.878 2.565 -4.846 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.468 1.532 -3.880 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.451 3.946 -4.573 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.897 1.621 -2.479 1.00 0.00 C ATOM 0 H ILE A 17 -4.303 0.426 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.165 3.046 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.802 2.606 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.549 1.666 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.288 0.532 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.276 4.213 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.966 4.676 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.523 3.941 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.359 0.861 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.820 1.457 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.101 2.609 -2.065 1.00 0.00 H new ATOM 289 N SER A 18 -1.321 1.585 -7.866 1.00 0.00 N ATOM 290 CA SER A 18 -0.204 0.788 -8.339 1.00 0.00 C ATOM 291 C SER A 18 1.039 1.061 -7.495 1.00 0.00 C ATOM 292 O SER A 18 1.521 2.191 -7.406 1.00 0.00 O ATOM 293 CB SER A 18 0.045 1.031 -9.834 1.00 0.00 C ATOM 294 OG SER A 18 0.508 2.352 -10.081 1.00 0.00 O ATOM 0 H SER A 18 -1.571 2.373 -8.464 1.00 0.00 H new ATOM 0 HA SER A 18 -0.450 -0.268 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.778 0.313 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.877 0.858 -10.389 1.00 0.00 H new ATOM 0 HG SER A 18 0.658 2.472 -11.042 1.00 0.00 H new ATOM 300 N ILE A 19 1.523 0.014 -6.843 1.00 0.00 N ATOM 301 CA ILE A 19 2.690 0.111 -5.979 1.00 0.00 C ATOM 302 C ILE A 19 3.973 0.211 -6.797 1.00 0.00 C ATOM 303 O ILE A 19 4.181 -0.557 -7.739 1.00 0.00 O ATOM 304 CB ILE A 19 2.796 -1.112 -5.038 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.419 -1.479 -4.459 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.791 -0.837 -3.917 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.742 -0.349 -3.706 1.00 0.00 C ATOM 0 H ILE A 19 1.120 -0.922 -6.897 1.00 0.00 H new ATOM 0 HA ILE A 19 2.567 1.015 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 19 3.156 -1.960 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.769 -1.800 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.534 -2.330 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.853 -1.708 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.773 -0.633 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.459 0.026 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.223 -0.689 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.370 -0.042 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.592 0.497 -4.377 1.00 0.00 H new ATOM 319 N VAL A 20 4.818 1.170 -6.441 1.00 0.00 N ATOM 320 CA VAL A 20 6.094 1.372 -7.113 1.00 0.00 C ATOM 321 C VAL A 20 7.244 1.076 -6.153 1.00 0.00 C ATOM 322 O VAL A 20 7.315 1.646 -5.066 1.00 0.00 O ATOM 323 CB VAL A 20 6.231 2.816 -7.646 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.552 3.001 -8.373 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.072 3.157 -8.569 1.00 0.00 C ATOM 0 H VAL A 20 4.639 1.827 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 20 6.133 0.688 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 20 6.210 3.494 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.626 4.025 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.376 2.801 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.604 2.310 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.186 4.178 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.065 2.468 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.133 3.070 -8.022 1.00 0.00 H new ATOM 335 N GLY A 21 8.127 0.174 -6.545 1.00 0.00 N ATOM 336 CA GLY A 21 9.253 -0.172 -5.702 1.00 0.00 C ATOM 337 C GLY A 21 10.486 0.630 -6.050 1.00 0.00 C ATOM 338 O GLY A 21 11.042 0.481 -7.137 1.00 0.00 O ATOM 0 H GLY A 21 8.086 -0.326 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.991 -0.000 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.470 -1.235 -5.805 1.00 0.00 H new ATOM 342 N GLN A 22 10.916 1.483 -5.133 1.00 0.00 N ATOM 343 CA GLN A 22 12.091 2.305 -5.366 1.00 0.00 C ATOM 344 C GLN A 22 13.356 1.476 -5.215 1.00 0.00 C ATOM 345 O GLN A 22 13.660 0.970 -4.134 1.00 0.00 O ATOM 346 CB GLN A 22 12.132 3.501 -4.411 1.00 0.00 C ATOM 347 CG GLN A 22 13.261 4.472 -4.726 1.00 0.00 C ATOM 348 CD GLN A 22 13.282 5.689 -3.818 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.660 6.782 -4.238 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.896 5.510 -2.566 1.00 0.00 N ATOM 0 H GLN A 22 10.471 1.623 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 22 12.033 2.686 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.180 4.030 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.245 3.140 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.214 3.949 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.168 4.802 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.589 4.589 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.905 6.293 -1.913 1.00 0.00 H new ATOM 359 N SER A 23 14.079 1.322 -6.306 1.00 0.00 N ATOM 360 CA SER A 23 15.311 0.562 -6.302 1.00 0.00 C ATOM 361 C SER A 23 16.485 1.494 -6.551 1.00 0.00 C ATOM 362 O SER A 23 16.379 2.447 -7.326 1.00 0.00 O ATOM 363 CB SER A 23 15.247 -0.536 -7.364 1.00 0.00 C ATOM 364 OG SER A 23 13.988 -1.185 -7.325 1.00 0.00 O ATOM 0 H SER A 23 13.831 1.717 -7.213 1.00 0.00 H new ATOM 0 HA SER A 23 15.447 0.088 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.412 -0.106 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.043 -1.261 -7.195 1.00 0.00 H new ATOM 0 HG SER A 23 13.959 -1.885 -8.011 1.00 0.00 H new ATOM 370 N ASN A 24 17.588 1.236 -5.873 1.00 0.00 N ATOM 371 CA ASN A 24 18.778 2.056 -6.020 1.00 0.00 C ATOM 372 C ASN A 24 20.027 1.187 -5.943 1.00 0.00 C ATOM 373 O ASN A 24 19.948 -0.026 -6.126 1.00 0.00 O ATOM 374 CB ASN A 24 18.808 3.142 -4.943 1.00 0.00 C ATOM 375 CG ASN A 24 19.372 4.452 -5.454 1.00 0.00 C ATOM 376 OD1 ASN A 24 19.312 4.748 -6.646 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.924 5.244 -4.553 1.00 0.00 N ATOM 0 H ASN A 24 17.685 0.464 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 24 18.755 2.541 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.797 3.307 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.407 2.797 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.321 6.140 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 24 19.953 4.960 -3.574 1.00 0.00 H new ATOM 384 N ASP A 25 21.170 1.803 -5.667 1.00 0.00 N ATOM 385 CA ASP A 25 22.434 1.078 -5.577 1.00 0.00 C ATOM 386 C ASP A 25 22.424 0.101 -4.409 1.00 0.00 C ATOM 387 O ASP A 25 22.837 -1.050 -4.557 1.00 0.00 O ATOM 388 CB ASP A 25 23.605 2.055 -5.432 1.00 0.00 C ATOM 389 CG ASP A 25 23.781 2.934 -6.650 1.00 0.00 C ATOM 390 OD1 ASP A 25 23.093 3.971 -6.738 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.603 2.596 -7.530 1.00 0.00 O ATOM 0 H ASP A 25 21.249 2.806 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 25 22.558 0.510 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.444 2.683 -4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.523 1.494 -5.258 1.00 0.00 H new ATOM 396 N ARG A 26 21.939 0.551 -3.253 1.00 0.00 N ATOM 397 CA ARG A 26 21.882 -0.308 -2.073 1.00 0.00 C ATOM 398 C ARG A 26 20.779 -1.350 -2.237 1.00 0.00 C ATOM 399 O ARG A 26 21.047 -2.545 -2.354 1.00 0.00 O ATOM 400 CB ARG A 26 21.644 0.521 -0.804 1.00 0.00 C ATOM 401 CG ARG A 26 22.690 1.600 -0.560 1.00 0.00 C ATOM 402 CD ARG A 26 23.910 1.058 0.167 1.00 0.00 C ATOM 403 NE ARG A 26 24.844 2.124 0.525 1.00 0.00 N ATOM 404 CZ ARG A 26 24.892 2.706 1.725 1.00 0.00 C ATOM 405 NH1 ARG A 26 24.058 2.329 2.689 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.773 3.672 1.957 1.00 0.00 N ATOM 0 H ARG A 26 21.583 1.496 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 26 22.840 -0.817 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.662 0.990 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.621 -0.149 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.997 2.029 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.249 2.407 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.593 0.534 1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 26 24.416 0.328 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 26 25.501 2.443 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 26 23.376 1.591 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.100 2.778 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.412 3.968 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.811 4.118 2.874 1.00 0.00 H new ATOM 420 N GLY A 27 19.540 -0.887 -2.274 1.00 0.00 N ATOM 421 CA GLY A 27 18.415 -1.786 -2.437 1.00 0.00 C ATOM 422 C GLY A 27 17.200 -1.340 -1.657 1.00 0.00 C ATOM 423 O GLY A 27 16.077 -1.383 -2.162 1.00 0.00 O ATOM 0 H GLY A 27 19.291 0.099 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.159 -1.854 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.703 -2.786 -2.114 1.00 0.00 H new ATOM 427 N ASP A 28 17.424 -0.905 -0.428 1.00 0.00 N ATOM 428 CA ASP A 28 16.347 -0.450 0.438 1.00 0.00 C ATOM 429 C ASP A 28 15.844 0.919 -0.006 1.00 0.00 C ATOM 430 O ASP A 28 16.391 1.954 0.370 1.00 0.00 O ATOM 431 CB ASP A 28 16.812 -0.411 1.901 1.00 0.00 C ATOM 432 CG ASP A 28 18.090 0.384 2.105 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.154 -0.042 1.603 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.044 1.435 2.780 1.00 0.00 O ATOM 0 H ASP A 28 18.350 -0.857 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 28 15.521 -1.157 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.022 0.021 2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.967 -1.431 2.253 1.00 0.00 H new ATOM 439 N GLY A 29 14.821 0.911 -0.846 1.00 0.00 N ATOM 440 CA GLY A 29 14.253 2.151 -1.331 1.00 0.00 C ATOM 441 C GLY A 29 12.840 2.353 -0.837 1.00 0.00 C ATOM 442 O GLY A 29 12.384 3.486 -0.675 1.00 0.00 O ATOM 0 H GLY A 29 14.373 0.066 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.874 2.986 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.260 2.152 -2.421 1.00 0.00 H new ATOM 446 N GLY A 30 12.140 1.248 -0.615 1.00 0.00 N ATOM 447 CA GLY A 30 10.782 1.318 -0.124 1.00 0.00 C ATOM 448 C GLY A 30 9.758 1.320 -1.241 1.00 0.00 C ATOM 449 O GLY A 30 10.086 1.593 -2.398 1.00 0.00 O ATOM 0 H GLY A 30 12.492 0.303 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.594 0.470 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.662 2.221 0.475 1.00 0.00 H new ATOM 453 N ILE A 31 8.515 1.016 -0.891 1.00 0.00 N ATOM 454 CA ILE A 31 7.426 0.991 -1.856 1.00 0.00 C ATOM 455 C ILE A 31 6.592 2.267 -1.751 1.00 0.00 C ATOM 456 O ILE A 31 6.167 2.664 -0.662 1.00 0.00 O ATOM 457 CB ILE A 31 6.520 -0.246 -1.664 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.198 -0.459 -0.181 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.196 -1.475 -2.248 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.106 -1.480 0.063 1.00 0.00 C ATOM 0 H ILE A 31 8.236 0.782 0.062 1.00 0.00 H new ATOM 0 HA ILE A 31 7.871 0.931 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 31 5.580 -0.077 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.103 -0.777 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.898 0.493 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.553 -2.344 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.374 -1.321 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.146 -1.643 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.932 -1.578 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.188 -1.154 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.411 -2.444 -0.345 1.00 0.00 H new ATOM 472 N TYR A 32 6.375 2.913 -2.884 1.00 0.00 N ATOM 473 CA TYR A 32 5.616 4.155 -2.932 1.00 0.00 C ATOM 474 C TYR A 32 4.359 4.000 -3.773 1.00 0.00 C ATOM 475 O TYR A 32 4.225 3.052 -4.547 1.00 0.00 O ATOM 476 CB TYR A 32 6.479 5.282 -3.511 1.00 0.00 C ATOM 477 CG TYR A 32 7.653 5.668 -2.641 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.776 4.855 -2.554 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.642 6.850 -1.914 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.850 5.207 -1.764 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.716 7.209 -1.123 1.00 0.00 C ATOM 482 CZ TYR A 32 9.816 6.385 -1.051 1.00 0.00 C ATOM 483 OH TYR A 32 10.883 6.740 -0.260 1.00 0.00 O ATOM 0 H TYR A 32 6.716 2.596 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 32 5.324 4.404 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.850 4.975 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.853 6.160 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.808 3.932 -3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.781 7.499 -1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.714 4.562 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.693 8.132 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 32 10.803 6.303 0.613 1.00 0.00 H new ATOM 493 N ILE A 33 3.434 4.928 -3.589 1.00 0.00 N ATOM 494 CA ILE A 33 2.186 4.937 -4.336 1.00 0.00 C ATOM 495 C ILE A 33 2.407 5.579 -5.699 1.00 0.00 C ATOM 496 O ILE A 33 2.845 6.728 -5.784 1.00 0.00 O ATOM 497 CB ILE A 33 1.075 5.708 -3.583 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.889 5.150 -2.167 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.239 5.656 -4.355 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.531 3.677 -2.125 1.00 0.00 C ATOM 0 H ILE A 33 3.526 5.693 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 33 1.863 3.903 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 33 1.383 6.750 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.809 5.306 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.106 5.718 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.005 6.204 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.102 6.108 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.551 4.618 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.417 3.360 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.405 3.515 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.324 3.096 -2.597 1.00 0.00 H new ATOM 512 N GLY A 34 2.130 4.829 -6.757 1.00 0.00 N ATOM 513 CA GLY A 34 2.311 5.345 -8.098 1.00 0.00 C ATOM 514 C GLY A 34 1.074 6.023 -8.641 1.00 0.00 C ATOM 515 O GLY A 34 0.904 7.232 -8.492 1.00 0.00 O ATOM 0 H GLY A 34 1.783 3.871 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.138 6.055 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.591 4.527 -8.762 1.00 0.00 H new ATOM 519 N SER A 35 0.204 5.254 -9.271 1.00 0.00 N ATOM 520 CA SER A 35 -1.007 5.810 -9.845 1.00 0.00 C ATOM 521 C SER A 35 -2.255 5.293 -9.135 1.00 0.00 C ATOM 522 O SER A 35 -2.409 4.089 -8.915 1.00 0.00 O ATOM 523 CB SER A 35 -1.067 5.489 -11.339 1.00 0.00 C ATOM 524 OG SER A 35 0.101 5.954 -12.001 1.00 0.00 O ATOM 0 H SER A 35 0.313 4.248 -9.398 1.00 0.00 H new ATOM 0 HA SER A 35 -0.981 6.891 -9.710 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.167 4.413 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.950 5.952 -11.780 1.00 0.00 H new ATOM 0 HG SER A 35 0.044 5.738 -12.955 1.00 0.00 H new ATOM 530 N ILE A 36 -3.132 6.222 -8.776 1.00 0.00 N ATOM 531 CA ILE A 36 -4.382 5.893 -8.102 1.00 0.00 C ATOM 532 C ILE A 36 -5.480 5.699 -9.136 1.00 0.00 C ATOM 533 O ILE A 36 -5.604 6.492 -10.069 1.00 0.00 O ATOM 534 CB ILE A 36 -4.805 6.997 -7.106 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.673 7.275 -6.118 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.076 6.592 -6.364 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.004 8.338 -5.098 1.00 0.00 C ATOM 0 H ILE A 36 -2.998 7.219 -8.943 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.226 4.973 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.013 7.909 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.422 6.351 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.786 7.580 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.358 7.382 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.882 6.436 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.897 5.669 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.153 8.480 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.226 9.275 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.872 8.027 -4.517 1.00 0.00 H new ATOM 549 N MET A 37 -6.268 4.650 -8.968 1.00 0.00 N ATOM 550 CA MET A 37 -7.346 4.344 -9.896 1.00 0.00 C ATOM 551 C MET A 37 -8.700 4.713 -9.300 1.00 0.00 C ATOM 552 O MET A 37 -9.008 4.350 -8.162 1.00 0.00 O ATOM 553 CB MET A 37 -7.334 2.856 -10.257 1.00 0.00 C ATOM 554 CG MET A 37 -5.973 2.336 -10.696 1.00 0.00 C ATOM 555 SD MET A 37 -5.369 3.146 -12.188 1.00 0.00 S ATOM 556 CE MET A 37 -3.689 2.534 -12.246 1.00 0.00 C ATOM 0 H MET A 37 -6.181 3.992 -8.193 1.00 0.00 H new ATOM 0 HA MET A 37 -7.188 4.935 -10.798 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.670 2.281 -9.394 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.054 2.681 -11.057 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.254 2.485 -9.890 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.038 1.262 -10.871 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.181 2.947 -13.118 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.161 2.835 -11.342 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.700 1.446 -12.314 1.00 0.00 H new ATOM 566 N LYS A 38 -9.507 5.421 -10.079 1.00 0.00 N ATOM 567 CA LYS A 38 -10.830 5.836 -9.639 1.00 0.00 C ATOM 568 C LYS A 38 -11.730 4.613 -9.494 1.00 0.00 C ATOM 569 O LYS A 38 -11.799 3.771 -10.392 1.00 0.00 O ATOM 570 CB LYS A 38 -11.424 6.830 -10.641 1.00 0.00 C ATOM 571 CG LYS A 38 -12.751 7.433 -10.211 1.00 0.00 C ATOM 572 CD LYS A 38 -12.567 8.479 -9.120 1.00 0.00 C ATOM 573 CE LYS A 38 -13.870 9.196 -8.802 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.886 8.273 -8.235 1.00 0.00 N ATOM 0 H LYS A 38 -9.266 5.721 -11.024 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.753 6.329 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.708 7.635 -10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.560 6.326 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.240 7.888 -11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.410 6.643 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.185 8.001 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.819 9.206 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.677 10.003 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.263 9.655 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.735 8.812 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.139 7.557 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.497 7.803 -7.393 1.00 0.00 H new ATOM 588 N GLY A 39 -12.409 4.515 -8.362 1.00 0.00 N ATOM 589 CA GLY A 39 -13.274 3.381 -8.109 1.00 0.00 C ATOM 590 C GLY A 39 -12.685 2.480 -7.052 1.00 0.00 C ATOM 591 O GLY A 39 -13.335 1.555 -6.564 1.00 0.00 O ATOM 0 H GLY A 39 -12.377 5.204 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.255 3.731 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.422 2.818 -9.031 1.00 0.00 H new ATOM 595 N GLY A 40 -11.437 2.754 -6.703 1.00 0.00 N ATOM 596 CA GLY A 40 -10.765 1.975 -5.692 1.00 0.00 C ATOM 597 C GLY A 40 -11.047 2.500 -4.302 1.00 0.00 C ATOM 598 O GLY A 40 -11.534 3.622 -4.138 1.00 0.00 O ATOM 0 H GLY A 40 -10.878 3.506 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.086 0.936 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.691 1.990 -5.876 1.00 0.00 H new ATOM 602 N ALA A 41 -10.741 1.693 -3.296 1.00 0.00 N ATOM 603 CA ALA A 41 -10.966 2.081 -1.911 1.00 0.00 C ATOM 604 C ALA A 41 -10.135 3.306 -1.533 1.00 0.00 C ATOM 605 O ALA A 41 -10.566 4.130 -0.727 1.00 0.00 O ATOM 606 CB ALA A 41 -10.655 0.916 -0.985 1.00 0.00 C ATOM 0 H ALA A 41 -10.336 0.764 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.017 2.350 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.827 1.217 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.302 0.074 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.613 0.621 -1.109 1.00 0.00 H new ATOM 612 N VAL A 42 -8.954 3.435 -2.134 1.00 0.00 N ATOM 613 CA VAL A 42 -8.074 4.564 -1.850 1.00 0.00 C ATOM 614 C VAL A 42 -8.606 5.845 -2.484 1.00 0.00 C ATOM 615 O VAL A 42 -8.549 6.918 -1.878 1.00 0.00 O ATOM 616 CB VAL A 42 -6.636 4.297 -2.341 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.736 5.484 -2.044 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.082 3.036 -1.698 1.00 0.00 C ATOM 0 H VAL A 42 -8.586 2.774 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.051 4.688 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.665 4.153 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.727 5.273 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.122 6.369 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.713 5.663 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.067 2.862 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.071 3.155 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.711 2.186 -1.963 1.00 0.00 H new ATOM 628 N ALA A 43 -9.139 5.725 -3.696 1.00 0.00 N ATOM 629 CA ALA A 43 -9.692 6.871 -4.407 1.00 0.00 C ATOM 630 C ALA A 43 -10.882 7.440 -3.645 1.00 0.00 C ATOM 631 O ALA A 43 -11.134 8.643 -3.664 1.00 0.00 O ATOM 632 CB ALA A 43 -10.100 6.476 -5.822 1.00 0.00 C ATOM 0 H ALA A 43 -9.199 4.844 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.924 7.642 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.511 7.344 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.227 6.111 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.854 5.690 -5.777 1.00 0.00 H new ATOM 638 N ALA A 44 -11.605 6.561 -2.960 1.00 0.00 N ATOM 639 CA ALA A 44 -12.763 6.965 -2.180 1.00 0.00 C ATOM 640 C ALA A 44 -12.332 7.598 -0.861 1.00 0.00 C ATOM 641 O ALA A 44 -13.118 8.275 -0.198 1.00 0.00 O ATOM 642 CB ALA A 44 -13.667 5.770 -1.934 1.00 0.00 C ATOM 0 H ALA A 44 -11.406 5.561 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.320 7.713 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.532 6.082 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.002 5.365 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.117 5.004 -1.388 1.00 0.00 H new ATOM 648 N ASP A 45 -11.080 7.372 -0.488 1.00 0.00 N ATOM 649 CA ASP A 45 -10.537 7.930 0.745 1.00 0.00 C ATOM 650 C ASP A 45 -10.093 9.366 0.496 1.00 0.00 C ATOM 651 O ASP A 45 -10.661 10.306 1.049 1.00 0.00 O ATOM 652 CB ASP A 45 -9.366 7.085 1.247 1.00 0.00 C ATOM 653 CG ASP A 45 -8.951 7.454 2.654 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.169 8.412 2.811 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.408 6.787 3.606 1.00 0.00 O ATOM 0 H ASP A 45 -10.420 6.806 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.310 7.922 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.643 6.031 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.517 7.211 0.576 1.00 0.00 H new ATOM 660 N GLY A 46 -9.079 9.525 -0.345 1.00 0.00 N ATOM 661 CA GLY A 46 -8.605 10.850 -0.685 1.00 0.00 C ATOM 662 C GLY A 46 -7.429 11.343 0.144 1.00 0.00 C ATOM 663 O GLY A 46 -6.869 12.397 -0.158 1.00 0.00 O ATOM 0 H GLY A 46 -8.578 8.760 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.318 10.858 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.429 11.554 -0.574 1.00 0.00 H new ATOM 667 N ARG A 47 -7.046 10.615 1.190 1.00 0.00 N ATOM 668 CA ARG A 47 -5.925 11.040 2.030 1.00 0.00 C ATOM 669 C ARG A 47 -4.589 10.566 1.463 1.00 0.00 C ATOM 670 O ARG A 47 -3.545 11.176 1.710 1.00 0.00 O ATOM 671 CB ARG A 47 -6.106 10.548 3.468 1.00 0.00 C ATOM 672 CG ARG A 47 -7.166 11.324 4.234 1.00 0.00 C ATOM 673 CD ARG A 47 -7.491 10.667 5.562 1.00 0.00 C ATOM 674 NE ARG A 47 -8.144 9.374 5.384 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.759 8.711 6.361 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.835 9.230 7.577 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.308 7.534 6.120 1.00 0.00 N ATOM 0 H ARG A 47 -7.487 9.740 1.475 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.914 12.130 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.377 9.492 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.155 10.626 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.818 12.342 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.072 11.395 3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.574 10.535 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.138 11.324 6.143 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.128 8.953 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.421 10.142 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.307 8.717 8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.261 7.131 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.779 7.028 6.870 1.00 0.00 H new ATOM 691 N ILE A 48 -4.620 9.479 0.706 1.00 0.00 N ATOM 692 CA ILE A 48 -3.409 8.947 0.095 1.00 0.00 C ATOM 693 C ILE A 48 -3.244 9.527 -1.305 1.00 0.00 C ATOM 694 O ILE A 48 -4.220 9.642 -2.052 1.00 0.00 O ATOM 695 CB ILE A 48 -3.432 7.403 0.014 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.710 6.799 1.395 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.114 6.880 -0.544 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.765 5.286 1.401 1.00 0.00 C ATOM 0 H ILE A 48 -5.467 8.949 0.500 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.567 9.236 0.724 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.234 7.103 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.935 7.128 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.657 7.189 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.147 5.792 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.956 7.285 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.296 7.189 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.965 4.933 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.559 4.948 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.810 4.886 1.060 1.00 0.00 H new ATOM 710 N GLU A 49 -2.022 9.904 -1.651 1.00 0.00 N ATOM 711 CA GLU A 49 -1.751 10.482 -2.959 1.00 0.00 C ATOM 712 C GLU A 49 -0.440 9.936 -3.528 1.00 0.00 C ATOM 713 O GLU A 49 0.371 9.368 -2.793 1.00 0.00 O ATOM 714 CB GLU A 49 -1.693 12.006 -2.843 1.00 0.00 C ATOM 715 CG GLU A 49 -0.573 12.506 -1.951 1.00 0.00 C ATOM 716 CD GLU A 49 -0.730 13.965 -1.598 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.351 14.826 -2.422 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.234 14.257 -0.495 1.00 0.00 O ATOM 0 H GLU A 49 -1.205 9.821 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.555 10.207 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.571 12.433 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.645 12.369 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.548 11.914 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.383 12.357 -2.453 1.00 0.00 H new ATOM 725 N PRO A 50 -0.217 10.084 -4.849 1.00 0.00 N ATOM 726 CA PRO A 50 1.010 9.607 -5.502 1.00 0.00 C ATOM 727 C PRO A 50 2.265 10.193 -4.864 1.00 0.00 C ATOM 728 O PRO A 50 2.362 11.408 -4.667 1.00 0.00 O ATOM 729 CB PRO A 50 0.866 10.104 -6.944 1.00 0.00 C ATOM 730 CG PRO A 50 -0.600 10.270 -7.140 1.00 0.00 C ATOM 731 CD PRO A 50 -1.141 10.714 -5.811 1.00 0.00 C ATOM 0 HA PRO A 50 1.121 8.526 -5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.395 11.045 -7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.282 9.389 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.810 11.008 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.061 9.335 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.142 11.800 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.168 10.381 -5.662 1.00 0.00 H new ATOM 739 N GLY A 51 3.215 9.330 -4.530 1.00 0.00 N ATOM 740 CA GLY A 51 4.449 9.787 -3.919 1.00 0.00 C ATOM 741 C GLY A 51 4.583 9.348 -2.478 1.00 0.00 C ATOM 742 O GLY A 51 5.685 9.320 -1.933 1.00 0.00 O ATOM 0 H GLY A 51 3.154 8.322 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.296 9.407 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.493 10.875 -3.969 1.00 0.00 H new ATOM 746 N ASP A 52 3.462 9.005 -1.854 1.00 0.00 N ATOM 747 CA ASP A 52 3.469 8.566 -0.462 1.00 0.00 C ATOM 748 C ASP A 52 4.061 7.163 -0.361 1.00 0.00 C ATOM 749 O ASP A 52 3.848 6.334 -1.244 1.00 0.00 O ATOM 750 CB ASP A 52 2.055 8.600 0.127 1.00 0.00 C ATOM 751 CG ASP A 52 1.516 10.011 0.269 1.00 0.00 C ATOM 752 OD1 ASP A 52 2.323 10.967 0.255 1.00 0.00 O ATOM 753 OD2 ASP A 52 0.280 10.178 0.388 1.00 0.00 O ATOM 0 H ASP A 52 2.539 9.022 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 52 4.089 9.251 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.386 8.022 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.061 8.117 1.104 1.00 0.00 H new ATOM 758 N MET A 53 4.810 6.904 0.704 1.00 0.00 N ATOM 759 CA MET A 53 5.446 5.603 0.894 1.00 0.00 C ATOM 760 C MET A 53 4.658 4.733 1.863 1.00 0.00 C ATOM 761 O MET A 53 4.158 5.215 2.874 1.00 0.00 O ATOM 762 CB MET A 53 6.878 5.783 1.411 1.00 0.00 C ATOM 763 CG MET A 53 7.569 4.475 1.776 1.00 0.00 C ATOM 764 SD MET A 53 9.307 4.692 2.203 1.00 0.00 S ATOM 765 CE MET A 53 9.663 3.113 2.979 1.00 0.00 C ATOM 0 H MET A 53 4.993 7.576 1.449 1.00 0.00 H new ATOM 0 HA MET A 53 5.468 5.102 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.467 6.294 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.859 6.430 2.288 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.048 4.018 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.490 3.783 0.938 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.742 2.973 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.236 3.096 3.982 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.227 2.309 2.386 1.00 0.00 H new ATOM 775 N LEU A 54 4.559 3.449 1.550 1.00 0.00 N ATOM 776 CA LEU A 54 3.855 2.507 2.403 1.00 0.00 C ATOM 777 C LEU A 54 4.814 1.939 3.441 1.00 0.00 C ATOM 778 O LEU A 54 5.874 1.419 3.095 1.00 0.00 O ATOM 779 CB LEU A 54 3.253 1.372 1.572 1.00 0.00 C ATOM 780 CG LEU A 54 1.837 1.622 1.054 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.474 0.604 -0.017 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.836 1.570 2.199 1.00 0.00 C ATOM 0 H LEU A 54 4.960 3.036 0.708 1.00 0.00 H new ATOM 0 HA LEU A 54 3.044 3.032 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.906 1.182 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.246 0.465 2.177 1.00 0.00 H new ATOM 0 HG LEU A 54 1.802 2.617 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.463 0.797 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.174 0.685 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.525 -0.400 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.168 1.750 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.873 0.588 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.085 2.335 2.935 1.00 0.00 H new ATOM 794 N LEU A 55 4.452 2.055 4.710 1.00 0.00 N ATOM 795 CA LEU A 55 5.297 1.557 5.787 1.00 0.00 C ATOM 796 C LEU A 55 4.754 0.247 6.347 1.00 0.00 C ATOM 797 O LEU A 55 5.368 -0.810 6.203 1.00 0.00 O ATOM 798 CB LEU A 55 5.389 2.589 6.913 1.00 0.00 C ATOM 799 CG LEU A 55 5.650 4.030 6.472 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.401 4.983 7.628 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.069 4.191 5.951 1.00 0.00 C ATOM 0 H LEU A 55 3.582 2.488 5.019 1.00 0.00 H new ATOM 0 HA LEU A 55 6.290 1.379 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.458 2.565 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.185 2.287 7.594 1.00 0.00 H new ATOM 0 HG LEU A 55 4.963 4.270 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.590 6.006 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.366 4.892 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.068 4.736 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.229 5.225 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.777 3.933 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.220 3.531 5.097 1.00 0.00 H new ATOM 813 N GLN A 56 3.590 0.326 6.973 1.00 0.00 N ATOM 814 CA GLN A 56 2.964 -0.836 7.581 1.00 0.00 C ATOM 815 C GLN A 56 1.583 -1.075 6.985 1.00 0.00 C ATOM 816 O GLN A 56 0.823 -0.128 6.763 1.00 0.00 O ATOM 817 CB GLN A 56 2.863 -0.623 9.095 1.00 0.00 C ATOM 818 CG GLN A 56 2.273 -1.802 9.848 1.00 0.00 C ATOM 819 CD GLN A 56 1.971 -1.472 11.294 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.998 -1.962 11.862 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.808 -0.649 11.906 1.00 0.00 N ATOM 0 H GLN A 56 3.057 1.190 7.073 1.00 0.00 H new ATOM 0 HA GLN A 56 3.574 -1.716 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.858 -0.415 9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.253 0.259 9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.357 -2.124 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.969 -2.640 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.605 -0.263 11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.656 -0.401 12.884 1.00 0.00 H new ATOM 830 N VAL A 57 1.271 -2.333 6.709 1.00 0.00 N ATOM 831 CA VAL A 57 -0.021 -2.705 6.142 1.00 0.00 C ATOM 832 C VAL A 57 -0.592 -3.905 6.885 1.00 0.00 C ATOM 833 O VAL A 57 -0.177 -5.035 6.652 1.00 0.00 O ATOM 834 CB VAL A 57 0.082 -3.044 4.637 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.276 -3.459 4.084 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.638 -1.864 3.854 1.00 0.00 C ATOM 0 H VAL A 57 1.899 -3.120 6.869 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.681 -1.845 6.253 1.00 0.00 H new ATOM 0 HB VAL A 57 0.769 -3.883 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.181 -3.693 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.633 -4.339 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.986 -2.642 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.702 -2.126 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.020 -1.004 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.632 -1.616 4.227 1.00 0.00 H new ATOM 846 N ASN A 58 -1.531 -3.642 7.784 1.00 0.00 N ATOM 847 CA ASN A 58 -2.175 -4.686 8.580 1.00 0.00 C ATOM 848 C ASN A 58 -1.168 -5.376 9.499 1.00 0.00 C ATOM 849 O ASN A 58 -0.948 -6.587 9.408 1.00 0.00 O ATOM 850 CB ASN A 58 -2.890 -5.712 7.687 1.00 0.00 C ATOM 851 CG ASN A 58 -4.342 -5.344 7.423 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.711 -4.171 7.429 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.178 -6.343 7.185 1.00 0.00 N ATOM 0 H ASN A 58 -1.870 -2.701 7.984 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.929 -4.204 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.361 -5.793 6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.848 -6.693 8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.162 -6.151 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.838 -7.305 7.188 1.00 0.00 H new ATOM 860 N ASP A 59 -0.547 -4.568 10.361 1.00 0.00 N ATOM 861 CA ASP A 59 0.433 -5.026 11.358 1.00 0.00 C ATOM 862 C ASP A 59 1.816 -5.301 10.768 1.00 0.00 C ATOM 863 O ASP A 59 2.822 -4.883 11.342 1.00 0.00 O ATOM 864 CB ASP A 59 -0.065 -6.258 12.126 1.00 0.00 C ATOM 865 CG ASP A 59 -1.089 -5.913 13.186 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.814 -5.035 14.034 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.183 -6.519 13.178 1.00 0.00 O ATOM 0 H ASP A 59 -0.711 -3.562 10.389 1.00 0.00 H new ATOM 0 HA ASP A 59 0.539 -4.195 12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.501 -6.967 11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.784 -6.756 12.595 1.00 0.00 H new ATOM 872 N VAL A 60 1.887 -5.998 9.641 1.00 0.00 N ATOM 873 CA VAL A 60 3.182 -6.300 9.037 1.00 0.00 C ATOM 874 C VAL A 60 3.848 -5.032 8.512 1.00 0.00 C ATOM 875 O VAL A 60 3.236 -4.229 7.800 1.00 0.00 O ATOM 876 CB VAL A 60 3.100 -7.361 7.915 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.944 -8.752 8.510 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.960 -7.065 6.959 1.00 0.00 C ATOM 0 H VAL A 60 1.080 -6.360 9.133 1.00 0.00 H new ATOM 0 HA VAL A 60 3.792 -6.727 9.833 1.00 0.00 H new ATOM 0 HB VAL A 60 4.031 -7.322 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.888 -9.487 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.801 -8.974 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.031 -8.793 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.929 -7.829 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.017 -7.065 7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.113 -6.088 6.501 1.00 0.00 H new ATOM 888 N ASN A 61 5.103 -4.860 8.890 1.00 0.00 N ATOM 889 CA ASN A 61 5.880 -3.695 8.500 1.00 0.00 C ATOM 890 C ASN A 61 6.770 -4.021 7.310 1.00 0.00 C ATOM 891 O ASN A 61 7.439 -5.055 7.296 1.00 0.00 O ATOM 892 CB ASN A 61 6.724 -3.226 9.690 1.00 0.00 C ATOM 893 CG ASN A 61 7.552 -1.992 9.386 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.195 -1.180 8.540 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.668 -1.846 10.084 1.00 0.00 N ATOM 0 H ASN A 61 5.612 -5.523 9.475 1.00 0.00 H new ATOM 0 HA ASN A 61 5.202 -2.895 8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.066 -3.015 10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.388 -4.034 9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.266 -1.035 9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.930 -2.545 10.779 1.00 0.00 H new ATOM 902 N PHE A 62 6.774 -3.139 6.318 1.00 0.00 N ATOM 903 CA PHE A 62 7.577 -3.331 5.114 1.00 0.00 C ATOM 904 C PHE A 62 8.773 -2.386 5.090 1.00 0.00 C ATOM 905 O PHE A 62 9.598 -2.444 4.176 1.00 0.00 O ATOM 906 CB PHE A 62 6.730 -3.096 3.862 1.00 0.00 C ATOM 907 CG PHE A 62 5.546 -4.013 3.738 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.668 -5.368 4.004 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.312 -3.520 3.350 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.582 -6.211 3.889 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.221 -4.359 3.231 1.00 0.00 C ATOM 912 CZ PHE A 62 3.355 -5.707 3.503 1.00 0.00 C ATOM 0 H PHE A 62 6.227 -2.278 6.323 1.00 0.00 H new ATOM 0 HA PHE A 62 7.940 -4.359 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.378 -2.064 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.362 -3.216 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.625 -5.769 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.201 -2.467 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.691 -7.264 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.264 -3.962 2.926 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.503 -6.365 3.414 1.00 0.00 H new ATOM 922 N GLU A 63 8.862 -1.526 6.099 1.00 0.00 N ATOM 923 CA GLU A 63 9.945 -0.552 6.199 1.00 0.00 C ATOM 924 C GLU A 63 11.319 -1.207 6.086 1.00 0.00 C ATOM 925 O GLU A 63 12.212 -0.680 5.427 1.00 0.00 O ATOM 926 CB GLU A 63 9.860 0.208 7.521 1.00 0.00 C ATOM 927 CG GLU A 63 9.200 1.569 7.402 1.00 0.00 C ATOM 928 CD GLU A 63 9.570 2.483 8.549 1.00 0.00 C ATOM 929 OE1 GLU A 63 10.773 2.777 8.712 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.668 2.916 9.294 1.00 0.00 O ATOM 0 H GLU A 63 8.191 -1.483 6.866 1.00 0.00 H new ATOM 0 HA GLU A 63 9.826 0.139 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.304 -0.394 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.866 0.336 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.494 2.033 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.117 1.445 7.372 1.00 0.00 H new ATOM 937 N ASN A 64 11.486 -2.357 6.722 1.00 0.00 N ATOM 938 CA ASN A 64 12.765 -3.055 6.697 1.00 0.00 C ATOM 939 C ASN A 64 12.696 -4.309 5.839 1.00 0.00 C ATOM 940 O ASN A 64 13.409 -5.283 6.080 1.00 0.00 O ATOM 941 CB ASN A 64 13.205 -3.405 8.119 1.00 0.00 C ATOM 942 CG ASN A 64 14.300 -2.486 8.626 1.00 0.00 C ATOM 943 OD1 ASN A 64 15.134 -2.007 7.856 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.302 -2.231 9.924 1.00 0.00 N ATOM 0 H ASN A 64 10.757 -2.826 7.259 1.00 0.00 H new ATOM 0 HA ASN A 64 13.503 -2.388 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.346 -3.346 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.558 -4.436 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.013 -1.617 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.593 -2.648 10.527 1.00 0.00 H new ATOM 951 N MET A 65 11.846 -4.276 4.828 1.00 0.00 N ATOM 952 CA MET A 65 11.693 -5.408 3.928 1.00 0.00 C ATOM 953 C MET A 65 12.076 -5.010 2.512 1.00 0.00 C ATOM 954 O MET A 65 12.169 -3.824 2.196 1.00 0.00 O ATOM 955 CB MET A 65 10.256 -5.931 3.946 1.00 0.00 C ATOM 956 CG MET A 65 9.919 -6.753 5.179 1.00 0.00 C ATOM 957 SD MET A 65 8.240 -7.405 5.141 1.00 0.00 S ATOM 958 CE MET A 65 8.318 -8.481 3.713 1.00 0.00 C ATOM 0 H MET A 65 11.250 -3.478 4.609 1.00 0.00 H new ATOM 0 HA MET A 65 12.356 -6.203 4.271 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.571 -5.086 3.886 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.090 -6.540 3.058 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.624 -7.580 5.263 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.045 -6.135 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.765 -9.398 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.878 -7.976 2.853 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.358 -8.725 3.498 1.00 0.00 H new ATOM 968 N SER A 66 12.321 -5.999 1.671 1.00 0.00 N ATOM 969 CA SER A 66 12.680 -5.748 0.286 1.00 0.00 C ATOM 970 C SER A 66 11.443 -5.330 -0.509 1.00 0.00 C ATOM 971 O SER A 66 10.337 -5.789 -0.218 1.00 0.00 O ATOM 972 CB SER A 66 13.299 -7.007 -0.314 1.00 0.00 C ATOM 973 OG SER A 66 13.486 -7.999 0.683 1.00 0.00 O ATOM 0 H SER A 66 12.278 -6.986 1.924 1.00 0.00 H new ATOM 0 HA SER A 66 13.408 -4.938 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.654 -7.394 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.256 -6.763 -0.775 1.00 0.00 H new ATOM 0 HG SER A 66 12.667 -8.529 0.775 1.00 0.00 H new ATOM 979 N ASN A 67 11.636 -4.466 -1.504 1.00 0.00 N ATOM 980 CA ASN A 67 10.538 -3.970 -2.342 1.00 0.00 C ATOM 981 C ASN A 67 9.706 -5.120 -2.894 1.00 0.00 C ATOM 982 O ASN A 67 8.475 -5.104 -2.825 1.00 0.00 O ATOM 983 CB ASN A 67 11.083 -3.150 -3.518 1.00 0.00 C ATOM 984 CG ASN A 67 12.092 -2.096 -3.108 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.946 -1.433 -2.079 1.00 0.00 O ATOM 986 ND2 ASN A 67 13.135 -1.948 -3.908 1.00 0.00 N ATOM 0 H ASN A 67 12.551 -4.090 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 67 9.910 -3.340 -1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.548 -3.825 -4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.251 -2.665 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.858 -1.264 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.217 -2.518 -4.750 1.00 0.00 H new ATOM 993 N ASP A 68 10.398 -6.119 -3.428 1.00 0.00 N ATOM 994 CA ASP A 68 9.758 -7.295 -4.009 1.00 0.00 C ATOM 995 C ASP A 68 8.882 -8.013 -2.987 1.00 0.00 C ATOM 996 O ASP A 68 7.708 -8.282 -3.237 1.00 0.00 O ATOM 997 CB ASP A 68 10.816 -8.267 -4.537 1.00 0.00 C ATOM 998 CG ASP A 68 11.452 -7.808 -5.834 1.00 0.00 C ATOM 999 OD1 ASP A 68 12.341 -6.931 -5.788 1.00 0.00 O ATOM 1000 OD2 ASP A 68 11.079 -8.334 -6.904 1.00 0.00 O ATOM 0 H ASP A 68 11.417 -6.138 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 68 9.127 -6.954 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.593 -8.393 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.359 -9.244 -4.690 1.00 0.00 H new ATOM 1005 N ASP A 69 9.461 -8.300 -1.828 1.00 0.00 N ATOM 1006 CA ASP A 69 8.751 -9.005 -0.764 1.00 0.00 C ATOM 1007 C ASP A 69 7.595 -8.181 -0.215 1.00 0.00 C ATOM 1008 O ASP A 69 6.535 -8.723 0.099 1.00 0.00 O ATOM 1009 CB ASP A 69 9.711 -9.388 0.360 1.00 0.00 C ATOM 1010 CG ASP A 69 10.223 -10.805 0.212 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.732 -11.536 -0.676 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.122 -11.196 0.977 1.00 0.00 O ATOM 0 H ASP A 69 10.424 -8.055 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 69 8.333 -9.914 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.554 -8.697 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.205 -9.284 1.320 1.00 0.00 H new ATOM 1017 N ALA A 70 7.801 -6.873 -0.107 1.00 0.00 N ATOM 1018 CA ALA A 70 6.769 -5.972 0.392 1.00 0.00 C ATOM 1019 C ALA A 70 5.516 -6.075 -0.469 1.00 0.00 C ATOM 1020 O ALA A 70 4.400 -6.184 0.045 1.00 0.00 O ATOM 1021 CB ALA A 70 7.286 -4.542 0.416 1.00 0.00 C ATOM 0 H ALA A 70 8.675 -6.412 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 70 6.511 -6.263 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.506 -3.879 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.158 -4.481 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.566 -4.239 -0.593 1.00 0.00 H new ATOM 1027 N VAL A 71 5.712 -6.062 -1.782 1.00 0.00 N ATOM 1028 CA VAL A 71 4.602 -6.169 -2.719 1.00 0.00 C ATOM 1029 C VAL A 71 3.940 -7.543 -2.604 1.00 0.00 C ATOM 1030 O VAL A 71 2.714 -7.654 -2.621 1.00 0.00 O ATOM 1031 CB VAL A 71 5.068 -5.941 -4.177 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.934 -6.191 -5.162 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.620 -4.532 -4.355 1.00 0.00 C ATOM 0 H VAL A 71 6.629 -5.978 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 71 3.880 -5.393 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 71 5.864 -6.655 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.291 -6.023 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.588 -7.220 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.111 -5.509 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.941 -4.395 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.844 -3.804 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.470 -4.387 -3.688 1.00 0.00 H new ATOM 1043 N ARG A 72 4.766 -8.581 -2.462 1.00 0.00 N ATOM 1044 CA ARG A 72 4.280 -9.956 -2.343 1.00 0.00 C ATOM 1045 C ARG A 72 3.326 -10.116 -1.168 1.00 0.00 C ATOM 1046 O ARG A 72 2.225 -10.645 -1.325 1.00 0.00 O ATOM 1047 CB ARG A 72 5.452 -10.925 -2.187 1.00 0.00 C ATOM 1048 CG ARG A 72 6.266 -11.100 -3.455 1.00 0.00 C ATOM 1049 CD ARG A 72 7.501 -11.944 -3.210 1.00 0.00 C ATOM 1050 NE ARG A 72 8.312 -12.071 -4.417 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.642 -12.019 -4.434 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.325 -11.864 -3.305 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.290 -12.120 -5.585 1.00 0.00 N ATOM 0 H ARG A 72 5.782 -8.494 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 72 3.735 -10.188 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.106 -10.567 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.070 -11.896 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.650 -11.569 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.562 -10.123 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.097 -11.495 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.203 -12.934 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 72 7.828 -12.208 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.830 -11.784 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.344 -11.825 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.770 -12.237 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.309 -12.081 -5.602 1.00 0.00 H new ATOM 1067 N VAL A 73 3.745 -9.655 0.007 1.00 0.00 N ATOM 1068 CA VAL A 73 2.912 -9.760 1.198 1.00 0.00 C ATOM 1069 C VAL A 73 1.618 -8.978 1.008 1.00 0.00 C ATOM 1070 O VAL A 73 0.539 -9.445 1.379 1.00 0.00 O ATOM 1071 CB VAL A 73 3.640 -9.248 2.461 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.782 -9.456 3.703 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.989 -9.932 2.620 1.00 0.00 C ATOM 0 H VAL A 73 4.650 -9.209 0.158 1.00 0.00 H new ATOM 0 HA VAL A 73 2.689 -10.817 1.342 1.00 0.00 H new ATOM 0 HB VAL A 73 3.812 -8.178 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.315 -9.088 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.845 -8.911 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.571 -10.518 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.484 -9.556 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.843 -11.008 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.608 -9.722 1.748 1.00 0.00 H new ATOM 1083 N LEU A 74 1.731 -7.797 0.411 1.00 0.00 N ATOM 1084 CA LEU A 74 0.571 -6.958 0.153 1.00 0.00 C ATOM 1085 C LEU A 74 -0.425 -7.697 -0.739 1.00 0.00 C ATOM 1086 O LEU A 74 -1.630 -7.624 -0.523 1.00 0.00 O ATOM 1087 CB LEU A 74 0.998 -5.645 -0.507 1.00 0.00 C ATOM 1088 CG LEU A 74 -0.138 -4.656 -0.785 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.695 -4.097 0.513 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.345 -3.532 -1.687 1.00 0.00 C ATOM 0 H LEU A 74 2.617 -7.400 0.097 1.00 0.00 H new ATOM 0 HA LEU A 74 0.089 -6.728 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.734 -5.158 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.496 -5.875 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.939 -5.190 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.501 -3.397 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.081 -4.913 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.096 -3.580 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.475 -2.838 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.165 -3.003 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.692 -3.948 -2.633 1.00 0.00 H new ATOM 1102 N ARG A 75 0.096 -8.429 -1.720 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.736 -9.194 -2.645 1.00 0.00 C ATOM 1104 C ARG A 75 -1.598 -10.199 -1.895 1.00 0.00 C ATOM 1105 O ARG A 75 -2.791 -10.334 -2.169 1.00 0.00 O ATOM 1106 CB ARG A 75 0.128 -9.938 -3.666 1.00 0.00 C ATOM 1107 CG ARG A 75 0.899 -9.031 -4.606 1.00 0.00 C ATOM 1108 CD ARG A 75 1.629 -9.828 -5.675 1.00 0.00 C ATOM 1109 NE ARG A 75 0.707 -10.352 -6.673 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.567 -9.848 -7.896 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.349 -8.854 -8.308 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.347 -10.349 -8.714 1.00 0.00 N ATOM 0 H ARG A 75 1.098 -8.509 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.381 -8.487 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.834 -10.574 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.511 -10.595 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.213 -8.328 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.617 -8.441 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.370 -9.193 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.170 -10.652 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 75 0.133 -11.156 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.061 -8.474 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.236 -8.472 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.941 -11.119 -8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.457 -9.965 -9.652 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.988 -10.891 -0.942 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.694 -11.887 -0.147 1.00 0.00 C ATOM 1128 C GLU A 76 -2.831 -11.240 0.641 1.00 0.00 C ATOM 1129 O GLU A 76 -3.951 -11.748 0.660 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.724 -12.596 0.803 1.00 0.00 C ATOM 1131 CG GLU A 76 0.461 -13.242 0.097 1.00 0.00 C ATOM 1132 CD GLU A 76 0.048 -14.260 -0.949 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.620 -15.253 -0.592 1.00 0.00 O ATOM 1134 OE2 GLU A 76 0.397 -14.079 -2.137 1.00 0.00 O ATOM 0 H GLU A 76 -0.003 -10.780 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.122 -12.626 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.353 -11.876 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.267 -13.361 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.061 -12.465 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.096 -13.728 0.837 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.545 -10.103 1.261 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.547 -9.389 2.045 1.00 0.00 C ATOM 1143 C ILE A 77 -4.638 -8.819 1.138 1.00 0.00 C ATOM 1144 O ILE A 77 -5.829 -8.939 1.424 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.918 -8.240 2.863 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.692 -8.742 3.634 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.944 -7.645 3.822 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.961 -7.654 4.391 1.00 0.00 C ATOM 0 H ILE A 77 -1.629 -9.655 1.237 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.984 -10.110 2.736 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.597 -7.459 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.007 -9.513 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.001 -9.212 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.484 -6.837 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.789 -7.255 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.293 -8.418 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.106 -8.085 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.614 -6.894 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.636 -7.199 5.116 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.217 -8.236 0.024 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.130 -7.630 -0.944 1.00 0.00 C ATOM 1162 C VAL A 78 -6.067 -8.671 -1.563 1.00 0.00 C ATOM 1163 O VAL A 78 -7.209 -8.365 -1.906 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.326 -6.893 -2.046 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.152 -6.654 -3.305 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.799 -5.579 -1.498 1.00 0.00 C ATOM 0 H VAL A 78 -3.233 -8.168 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.751 -6.907 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.492 -7.533 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.544 -6.135 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.481 -7.610 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.022 -6.045 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.234 -5.062 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.635 -4.955 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.149 -5.775 -0.645 1.00 0.00 H new ATOM 1176 N SER A 79 -5.596 -9.905 -1.675 1.00 0.00 N ATOM 1177 CA SER A 79 -6.404 -10.972 -2.254 1.00 0.00 C ATOM 1178 C SER A 79 -7.227 -11.676 -1.176 1.00 0.00 C ATOM 1179 O SER A 79 -8.006 -12.585 -1.468 1.00 0.00 O ATOM 1180 CB SER A 79 -5.515 -11.986 -2.973 1.00 0.00 C ATOM 1181 OG SER A 79 -4.585 -11.337 -3.826 1.00 0.00 O ATOM 0 H SER A 79 -4.664 -10.192 -1.375 1.00 0.00 H new ATOM 0 HA SER A 79 -7.086 -10.524 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.980 -12.590 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.134 -12.667 -3.557 1.00 0.00 H new ATOM 0 HG SER A 79 -3.920 -10.863 -3.284 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.059 -11.243 0.068 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.778 -11.837 1.187 1.00 0.00 C ATOM 1189 C GLN A 80 -8.956 -10.962 1.592 1.00 0.00 C ATOM 1190 O GLN A 80 -9.042 -9.797 1.196 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.836 -12.045 2.378 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.762 -13.489 2.846 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.359 -14.450 1.742 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.813 -15.592 1.702 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.500 -14.001 0.841 1.00 0.00 N ATOM 0 H GLN A 80 -6.431 -10.482 0.327 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.161 -12.808 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.836 -11.708 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.167 -11.419 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.046 -13.564 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.732 -13.787 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.144 -13.047 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.193 -14.609 0.081 1.00 0.00 H new ATOM 1204 N THR A 81 -9.863 -11.529 2.373 1.00 0.00 N ATOM 1205 CA THR A 81 -11.037 -10.811 2.832 1.00 0.00 C ATOM 1206 C THR A 81 -10.766 -10.121 4.165 1.00 0.00 C ATOM 1207 O THR A 81 -10.029 -10.643 5.007 1.00 0.00 O ATOM 1208 CB THR A 81 -12.237 -11.767 2.973 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.782 -13.130 2.964 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.232 -11.558 1.843 1.00 0.00 C ATOM 0 H THR A 81 -9.805 -12.492 2.703 1.00 0.00 H new ATOM 0 HA THR A 81 -11.276 -10.051 2.088 1.00 0.00 H new ATOM 0 HB THR A 81 -12.733 -11.553 3.920 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.550 -13.732 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.070 -12.244 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.597 -10.531 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.743 -11.748 0.888 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.347 -8.944 4.344 1.00 0.00 N ATOM 1219 CA GLY A 82 -11.159 -8.204 5.575 1.00 0.00 C ATOM 1220 C GLY A 82 -10.714 -6.777 5.323 1.00 0.00 C ATOM 1221 O GLY A 82 -10.241 -6.461 4.232 1.00 0.00 O ATOM 0 H GLY A 82 -11.947 -8.487 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.092 -8.198 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.417 -8.711 6.192 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.868 -5.887 6.310 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.465 -4.487 6.172 1.00 0.00 C ATOM 1227 C PRO A 83 -8.948 -4.332 6.117 1.00 0.00 C ATOM 1228 O PRO A 83 -8.213 -4.962 6.888 1.00 0.00 O ATOM 1229 CB PRO A 83 -11.042 -3.820 7.421 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.156 -4.919 8.419 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.451 -6.168 7.631 1.00 0.00 C ATOM 0 HA PRO A 83 -10.827 -4.043 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.390 -3.024 7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.013 -3.369 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.233 -5.026 8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.951 -4.714 9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.000 -7.048 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.522 -6.357 7.565 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.484 -3.503 5.197 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.059 -3.273 5.032 1.00 0.00 C ATOM 1241 C ILE A 84 -6.672 -1.886 5.538 1.00 0.00 C ATOM 1242 O ILE A 84 -7.201 -0.871 5.077 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.627 -3.428 3.556 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.082 -4.786 3.007 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.117 -3.282 3.422 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.889 -4.941 1.512 1.00 0.00 C ATOM 0 H ILE A 84 -9.074 -2.978 4.552 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.540 -4.027 5.623 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.102 -2.639 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.532 -5.576 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.137 -4.927 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.832 -3.394 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.814 -2.297 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.623 -4.050 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.234 -5.927 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.462 -4.174 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.832 -4.833 1.268 1.00 0.00 H new ATOM 1258 N SER A 85 -5.764 -1.857 6.498 1.00 0.00 N ATOM 1259 CA SER A 85 -5.289 -0.612 7.073 1.00 0.00 C ATOM 1260 C SER A 85 -3.940 -0.243 6.462 1.00 0.00 C ATOM 1261 O SER A 85 -2.972 -1.000 6.564 1.00 0.00 O ATOM 1262 CB SER A 85 -5.183 -0.750 8.594 1.00 0.00 C ATOM 1263 OG SER A 85 -6.281 -1.494 9.109 1.00 0.00 O ATOM 0 H SER A 85 -5.337 -2.692 6.899 1.00 0.00 H new ATOM 0 HA SER A 85 -5.997 0.187 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.248 -1.245 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.160 0.238 9.053 1.00 0.00 H new ATOM 0 HG SER A 85 -6.195 -1.573 10.082 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.888 0.910 5.810 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.667 1.368 5.161 1.00 0.00 C ATOM 1271 C LEU A 86 -2.006 2.496 5.940 1.00 0.00 C ATOM 1272 O LEU A 86 -2.657 3.477 6.309 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.965 1.852 3.737 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.639 0.831 2.821 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.957 1.452 1.472 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.757 -0.389 2.638 1.00 0.00 C ATOM 0 H LEU A 86 -4.679 1.547 5.716 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.983 0.520 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.601 2.735 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.029 2.165 3.275 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.572 0.519 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.436 0.710 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.628 2.299 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.035 1.793 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.255 -1.103 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.808 -0.089 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.572 -0.853 3.607 1.00 0.00 H new ATOM 1288 N THR A 87 -0.716 2.345 6.189 1.00 0.00 N ATOM 1289 CA THR A 87 0.060 3.353 6.892 1.00 0.00 C ATOM 1290 C THR A 87 1.061 3.967 5.921 1.00 0.00 C ATOM 1291 O THR A 87 2.073 3.344 5.591 1.00 0.00 O ATOM 1292 CB THR A 87 0.811 2.749 8.096 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.063 1.654 8.638 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.027 3.790 9.179 1.00 0.00 C ATOM 0 H THR A 87 -0.179 1.524 5.911 1.00 0.00 H new ATOM 0 HA THR A 87 -0.621 4.115 7.272 1.00 0.00 H new ATOM 0 HB THR A 87 1.782 2.398 7.747 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.211 0.854 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.559 3.339 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.615 4.615 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.062 4.165 9.521 1.00 0.00 H new ATOM 1302 N VAL A 88 0.772 5.172 5.445 1.00 0.00 N ATOM 1303 CA VAL A 88 1.647 5.832 4.485 1.00 0.00 C ATOM 1304 C VAL A 88 2.419 6.992 5.104 1.00 0.00 C ATOM 1305 O VAL A 88 1.963 7.629 6.059 1.00 0.00 O ATOM 1306 CB VAL A 88 0.866 6.355 3.256 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.181 5.212 2.528 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.147 7.417 3.665 1.00 0.00 C ATOM 0 H VAL A 88 -0.055 5.709 5.706 1.00 0.00 H new ATOM 0 HA VAL A 88 2.356 5.068 4.165 1.00 0.00 H new ATOM 0 HB VAL A 88 1.581 6.815 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.362 5.602 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.929 4.495 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.517 4.717 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.682 7.768 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.856 6.990 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.372 8.254 4.131 1.00 0.00 H new ATOM 1318 N ALA A 89 3.593 7.245 4.548 1.00 0.00 N ATOM 1319 CA ALA A 89 4.451 8.328 4.992 1.00 0.00 C ATOM 1320 C ALA A 89 4.420 9.452 3.968 1.00 0.00 C ATOM 1321 O ALA A 89 4.924 9.303 2.850 1.00 0.00 O ATOM 1322 CB ALA A 89 5.876 7.837 5.195 1.00 0.00 C ATOM 0 H ALA A 89 3.977 6.703 3.774 1.00 0.00 H new ATOM 0 HA ALA A 89 4.083 8.701 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.502 8.665 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.886 7.049 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.263 7.445 4.255 1.00 0.00 H new ATOM 1328 N LYS A 90 3.820 10.563 4.348 1.00 0.00 N ATOM 1329 CA LYS A 90 3.698 11.709 3.466 1.00 0.00 C ATOM 1330 C LYS A 90 4.809 12.713 3.731 1.00 0.00 C ATOM 1331 O LYS A 90 5.004 13.083 4.908 1.00 0.00 O ATOM 1332 CB LYS A 90 2.333 12.370 3.651 1.00 0.00 C ATOM 1333 CG LYS A 90 1.170 11.401 3.496 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.167 12.074 3.747 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.546 13.034 2.630 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.997 12.317 1.409 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.472 13.142 2.758 1.00 0.00 O ATOM 0 H LYS A 90 3.406 10.697 5.270 1.00 0.00 H new ATOM 0 HA LYS A 90 3.788 11.363 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.288 12.825 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.225 13.175 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.181 10.979 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.294 10.571 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.941 11.313 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.127 12.616 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.340 13.697 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.310 13.662 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.278 13.008 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.220 11.729 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.809 11.711 1.642 1.00 0.00 H new