USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 73 THR OG1 : rot -140:sc= 0.671 USER MOD Set 1.2: A 98 SER OG : rot 81:sc= 1.55 USER MOD Set 2.1: A 87 ASN :FLIP amide:sc= -1.09 F(o=-5.9!,f=-4.6) USER MOD Set 2.2: A 108 MET CE :methyl -127:sc= -3.55 (180deg=-10.8!) USER MOD Set 3.1: A 78 GLN : amide:sc= -0.0747 K(o=-0.1,f=-1.2!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ -161:sc= -0.0266 (180deg=-0.174) USER MOD Set 4.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 70 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.2!) USER MOD Set 5.1: A 38 THR OG1 : rot 72:sc= 1.1 USER MOD Set 5.2: A 40 GLN :FLIP amide:sc= -2.09 F(o=-5.4!,f=-0.99) USER MOD Set 6.1: A 24 THR OG1 : rot 134:sc= 0.762 USER MOD Set 6.2: A 34 ASN :FLIP amide:sc= -0.328 F(o=0.19,f=1.6) USER MOD Set 6.3: A 37 THR OG1 : rot -30:sc= 1.18 USER MOD Set 7.1: A 2 ASN : amide:sc= -4.65! C(o=-6.4!,f=-6.4!) USER MOD Set 7.2: A 58 THR OG1 : rot -159:sc= -1.57 USER MOD Set 7.3: A 62 HIS : no HD1:sc= -0.217 X(o=-6.4,f=-6.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0702 (180deg=-0.221) USER MOD Single : A 4 SER OG : rot 178:sc= 0.22 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -4.13 X(o=-4.1,f=-4.1!) USER MOD Single : A 11 GLN :FLIP amide:sc= -6.08! C(o=-7.3!,f=-6.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.031) USER MOD Single : A 18 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.53) USER MOD Single : A 20 SER OG : rot 180:sc= -3.76! USER MOD Single : A 23 CYS SG : rot 110:sc= -3.11 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -0.262 (180deg=-1.57!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.96! C(o=-4.3!,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc=-0.00732 (180deg=-0.397) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -1.61 (180deg=-2.76!) USER MOD Single : A 57 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.06) USER MOD Single : A 61 SER OG : rot 103:sc= 1.17 USER MOD Single : A 65 ASN : amide:sc= -5.58! C(o=-5.6!,f=-10!) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.517 (180deg=0.491) USER MOD Single : A 79 SER OG : rot -51:sc= -2.21! USER MOD Single : A 80 THR OG1 : rot 87:sc= -0.731 USER MOD Single : A 83 HIS : no HD1:sc= -0.806 X(o=-0.81,f=-0.39) USER MOD Single : A 84 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.9!) USER MOD Single : A 86 ASN : amide:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2 K(o=-2,f=-2.9) USER MOD Single : A 97 ASN :FLIP amide:sc= -6.16! C(o=-7.9!,f=-6.2!) USER MOD Single : A 102 SER OG : rot 171:sc= -1.9! USER MOD Single : A 105 SER OG : rot 85:sc= 0.982 USER MOD Single : A 107 GLN :FLIP amide:sc= -24.3! C(o=-26!,f=-24!) USER MOD Single : A 109 THR OG1 : rot 81:sc= 0.838 USER MOD Single : A 111 GLN : amide:sc= -11.5! C(o=-11!,f=-21!) USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= -9.92! (180deg=-10.6!) USER MOD Single : A 123 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.4) USER MOD Single : A 125 SER OG : rot -128:sc= 1.06 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.819 8.878 -12.141 1.00 0.00 N ATOM 2 CA MET A 1 -3.291 8.779 -11.959 1.00 0.00 C ATOM 3 C MET A 1 -3.670 8.791 -10.480 1.00 0.00 C ATOM 4 O MET A 1 -4.791 9.153 -10.122 1.00 0.00 O ATOM 5 CB MET A 1 -3.778 7.488 -12.621 1.00 0.00 C ATOM 6 CG MET A 1 -4.767 7.721 -13.752 1.00 0.00 C ATOM 7 SD MET A 1 -3.987 7.676 -15.377 1.00 0.00 S ATOM 8 CE MET A 1 -5.062 8.771 -16.300 1.00 0.00 C ATOM 0 H1 MET A 1 -1.604 9.055 -13.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.450 9.661 -11.565 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.372 7.988 -11.843 1.00 0.00 H new ATOM 0 HA MET A 1 -3.767 9.643 -12.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.918 6.941 -13.008 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.245 6.856 -11.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.549 6.963 -13.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.252 8.687 -13.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.709 8.846 -17.328 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.077 8.375 -16.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.055 9.760 -15.841 1.00 0.00 H new ATOM 20 N ASN A 2 -2.733 8.394 -9.624 1.00 0.00 N ATOM 21 CA ASN A 2 -2.980 8.364 -8.187 1.00 0.00 C ATOM 22 C ASN A 2 -2.341 9.565 -7.495 1.00 0.00 C ATOM 23 O ASN A 2 -3.032 10.486 -7.061 1.00 0.00 O ATOM 24 CB ASN A 2 -2.459 7.056 -7.575 1.00 0.00 C ATOM 25 CG ASN A 2 -1.006 6.773 -7.908 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.115 6.996 -7.088 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.758 6.280 -9.116 1.00 0.00 N ATOM 0 H ASN A 2 -1.799 8.090 -9.900 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.058 8.416 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.574 7.099 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.073 6.228 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.201 6.071 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.526 6.110 -9.765 1.00 0.00 H new ATOM 34 N LEU A 3 -1.019 9.545 -7.399 1.00 0.00 N ATOM 35 CA LEU A 3 -0.272 10.620 -6.767 1.00 0.00 C ATOM 36 C LEU A 3 1.203 10.530 -7.142 1.00 0.00 C ATOM 37 O LEU A 3 1.702 11.306 -7.957 1.00 0.00 O ATOM 38 CB LEU A 3 -0.414 10.541 -5.248 1.00 0.00 C ATOM 39 CG LEU A 3 -1.733 11.070 -4.681 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.690 9.921 -4.396 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.478 11.879 -3.419 1.00 0.00 C ATOM 0 H LEU A 3 -0.438 8.786 -7.756 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.675 11.570 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.299 9.501 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.406 11.098 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.193 11.722 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.623 10.316 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.894 9.380 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.239 9.244 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.425 12.249 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.998 11.247 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.828 12.722 -3.652 1.00 0.00 H new ATOM 53 N SER A 4 1.891 9.571 -6.529 1.00 0.00 N ATOM 54 CA SER A 4 3.311 9.350 -6.770 1.00 0.00 C ATOM 55 C SER A 4 3.852 8.338 -5.766 1.00 0.00 C ATOM 56 O SER A 4 3.084 7.712 -5.038 1.00 0.00 O ATOM 57 CB SER A 4 4.085 10.667 -6.660 1.00 0.00 C ATOM 58 OG SER A 4 3.366 11.621 -5.897 1.00 0.00 O ATOM 0 H SER A 4 1.480 8.927 -5.853 1.00 0.00 H new ATOM 0 HA SER A 4 3.440 8.958 -7.779 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.055 10.484 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.276 11.064 -7.657 1.00 0.00 H new ATOM 0 HG SER A 4 3.894 12.443 -5.819 1.00 0.00 H new ATOM 64 N LEU A 5 5.168 8.174 -5.723 1.00 0.00 N ATOM 65 CA LEU A 5 5.775 7.233 -4.791 1.00 0.00 C ATOM 66 C LEU A 5 6.222 7.917 -3.527 1.00 0.00 C ATOM 67 O LEU A 5 5.752 7.609 -2.434 1.00 0.00 O ATOM 68 CB LEU A 5 6.962 6.536 -5.417 1.00 0.00 C ATOM 69 CG LEU A 5 6.597 5.688 -6.597 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.706 5.663 -7.636 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.229 4.280 -6.151 1.00 0.00 C ATOM 0 H LEU A 5 5.830 8.675 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 5 5.009 6.497 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.691 7.284 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.446 5.912 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 5 5.724 6.136 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.404 5.038 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.897 6.677 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.614 5.257 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.967 3.679 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.078 3.827 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.378 4.324 -5.471 1.00 0.00 H new ATOM 83 N SER A 6 7.163 8.822 -3.683 1.00 0.00 N ATOM 84 CA SER A 6 7.714 9.527 -2.557 1.00 0.00 C ATOM 85 C SER A 6 6.646 10.310 -1.790 1.00 0.00 C ATOM 86 O SER A 6 6.574 10.237 -0.562 1.00 0.00 O ATOM 87 CB SER A 6 8.835 10.454 -3.030 1.00 0.00 C ATOM 88 OG SER A 6 8.604 11.798 -2.642 1.00 0.00 O ATOM 0 H SER A 6 7.561 9.085 -4.585 1.00 0.00 H new ATOM 0 HA SER A 6 8.122 8.791 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.786 10.115 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.920 10.398 -4.115 1.00 0.00 H new ATOM 0 HG SER A 6 9.340 12.361 -2.959 1.00 0.00 H new ATOM 94 N ASP A 7 5.812 11.051 -2.514 1.00 0.00 N ATOM 95 CA ASP A 7 4.758 11.838 -1.883 1.00 0.00 C ATOM 96 C ASP A 7 3.746 10.919 -1.227 1.00 0.00 C ATOM 97 O ASP A 7 3.471 11.019 -0.029 1.00 0.00 O ATOM 98 CB ASP A 7 4.064 12.728 -2.913 1.00 0.00 C ATOM 99 CG ASP A 7 5.049 13.471 -3.794 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.854 14.257 -3.253 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.015 13.267 -5.026 1.00 0.00 O ATOM 0 H ASP A 7 5.845 11.123 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 7 5.209 12.474 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.413 12.116 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.428 13.447 -2.397 1.00 0.00 H new ATOM 106 N LEU A 8 3.211 10.007 -2.023 1.00 0.00 N ATOM 107 CA LEU A 8 2.243 9.041 -1.540 1.00 0.00 C ATOM 108 C LEU A 8 2.814 8.276 -0.356 1.00 0.00 C ATOM 109 O LEU A 8 2.152 8.103 0.666 1.00 0.00 O ATOM 110 CB LEU A 8 1.885 8.079 -2.664 1.00 0.00 C ATOM 111 CG LEU A 8 0.621 7.259 -2.443 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.614 8.061 -2.829 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.708 5.975 -3.244 1.00 0.00 C ATOM 0 H LEU A 8 3.435 9.917 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 8 1.344 9.563 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.771 8.650 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.720 7.395 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 8 0.534 7.010 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.506 7.457 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.668 8.963 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.553 8.338 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.196 5.386 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.807 6.213 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.576 5.401 -2.918 1.00 0.00 H new ATOM 125 N HIS A 9 4.062 7.837 -0.502 1.00 0.00 N ATOM 126 CA HIS A 9 4.748 7.105 0.553 1.00 0.00 C ATOM 127 C HIS A 9 4.724 7.901 1.845 1.00 0.00 C ATOM 128 O HIS A 9 4.439 7.367 2.912 1.00 0.00 O ATOM 129 CB HIS A 9 6.195 6.827 0.157 1.00 0.00 C ATOM 130 CG HIS A 9 6.953 6.048 1.186 1.00 0.00 C ATOM 131 ND1 HIS A 9 6.566 4.797 1.619 1.00 0.00 N ATOM 132 CD2 HIS A 9 8.075 6.353 1.880 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.415 4.368 2.536 1.00 0.00 C ATOM 134 NE2 HIS A 9 8.340 5.293 2.712 1.00 0.00 N ATOM 0 H HIS A 9 4.618 7.978 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 9 4.231 6.157 0.702 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.207 6.279 -0.785 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.704 7.774 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.654 7.261 1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.361 3.422 3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.125 5.231 3.361 1.00 0.00 H new ATOM 143 N ARG A 10 5.026 9.185 1.734 1.00 0.00 N ATOM 144 CA ARG A 10 5.034 10.062 2.896 1.00 0.00 C ATOM 145 C ARG A 10 3.658 10.087 3.560 1.00 0.00 C ATOM 146 O ARG A 10 3.534 9.846 4.761 1.00 0.00 O ATOM 147 CB ARG A 10 5.452 11.476 2.495 1.00 0.00 C ATOM 148 CG ARG A 10 6.880 11.567 1.984 1.00 0.00 C ATOM 149 CD ARG A 10 7.062 12.740 1.034 1.00 0.00 C ATOM 150 NE ARG A 10 8.429 13.255 1.057 1.00 0.00 N ATOM 151 CZ ARG A 10 8.952 14.014 0.097 1.00 0.00 C ATOM 152 NH1 ARG A 10 8.226 14.351 -0.962 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.204 14.438 0.197 1.00 0.00 N ATOM 0 H ARG A 10 5.268 9.642 0.855 1.00 0.00 H new ATOM 0 HA ARG A 10 5.758 9.674 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.775 11.841 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.340 12.136 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.563 11.672 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.144 10.641 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.809 12.429 0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.370 13.537 1.305 1.00 0.00 H new ATOM 0 HE ARG A 10 9.017 13.019 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.262 14.028 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.632 14.933 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.766 14.182 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.606 15.020 -0.538 1.00 0.00 H new ATOM 167 N GLN A 11 2.626 10.371 2.767 1.00 0.00 N ATOM 168 CA GLN A 11 1.257 10.415 3.276 1.00 0.00 C ATOM 169 C GLN A 11 0.877 9.082 3.921 1.00 0.00 C ATOM 170 O GLN A 11 0.503 9.025 5.094 1.00 0.00 O ATOM 171 CB GLN A 11 0.281 10.742 2.141 1.00 0.00 C ATOM 172 CG GLN A 11 -1.170 10.846 2.589 1.00 0.00 C ATOM 173 CD GLN A 11 -1.517 12.205 3.161 1.00 0.00 C ATOM 174 OE1 GLN A 11 -1.809 13.158 2.284 1.00 0.00 O flip ATOM 175 NE2 GLN A 11 -1.522 12.396 4.377 1.00 0.00 N flip ATOM 0 H GLN A 11 2.712 10.574 1.771 1.00 0.00 H new ATOM 0 HA GLN A 11 1.199 11.197 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.577 11.684 1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.360 9.972 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.822 10.638 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.369 10.081 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.291 11.634 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.757 13.317 4.748 1.00 0.00 H new ATOM 184 N VAL A 12 0.979 8.016 3.135 1.00 0.00 N ATOM 185 CA VAL A 12 0.650 6.671 3.597 1.00 0.00 C ATOM 186 C VAL A 12 1.503 6.261 4.804 1.00 0.00 C ATOM 187 O VAL A 12 0.989 5.731 5.795 1.00 0.00 O ATOM 188 CB VAL A 12 0.835 5.650 2.447 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.305 5.478 2.100 1.00 0.00 C ATOM 190 CG2 VAL A 12 0.207 4.312 2.796 1.00 0.00 C ATOM 0 H VAL A 12 1.290 8.058 2.165 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.393 6.677 3.912 1.00 0.00 H new ATOM 0 HB VAL A 12 0.323 6.045 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.406 4.756 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.719 6.436 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.846 5.119 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.352 3.615 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.677 3.913 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.860 4.446 2.974 1.00 0.00 H new ATOM 200 N SER A 13 2.808 6.512 4.708 1.00 0.00 N ATOM 201 CA SER A 13 3.752 6.175 5.773 1.00 0.00 C ATOM 202 C SER A 13 3.352 6.792 7.106 1.00 0.00 C ATOM 203 O SER A 13 3.057 6.083 8.073 1.00 0.00 O ATOM 204 CB SER A 13 5.158 6.645 5.398 1.00 0.00 C ATOM 205 OG SER A 13 6.073 6.416 6.456 1.00 0.00 O ATOM 0 H SER A 13 3.239 6.952 3.895 1.00 0.00 H new ATOM 0 HA SER A 13 3.739 5.091 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.493 6.120 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.137 7.707 5.155 1.00 0.00 H new ATOM 0 HG SER A 13 6.965 6.724 6.190 1.00 0.00 H new ATOM 211 N ARG A 14 3.356 8.115 7.156 1.00 0.00 N ATOM 212 CA ARG A 14 3.013 8.827 8.373 1.00 0.00 C ATOM 213 C ARG A 14 1.600 8.497 8.818 1.00 0.00 C ATOM 214 O ARG A 14 1.306 8.472 10.009 1.00 0.00 O ATOM 215 CB ARG A 14 3.160 10.335 8.168 1.00 0.00 C ATOM 216 CG ARG A 14 3.236 11.123 9.467 1.00 0.00 C ATOM 217 CD ARG A 14 4.365 12.142 9.441 1.00 0.00 C ATOM 218 NE ARG A 14 3.866 13.504 9.266 1.00 0.00 N ATOM 219 CZ ARG A 14 4.542 14.471 8.648 1.00 0.00 C ATOM 220 NH1 ARG A 14 5.752 14.239 8.152 1.00 0.00 N ATOM 221 NH2 ARG A 14 4.006 15.678 8.529 1.00 0.00 N ATOM 0 H ARG A 14 3.593 8.716 6.367 1.00 0.00 H new ATOM 0 HA ARG A 14 3.702 8.507 9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.059 10.527 7.583 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.315 10.697 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.289 11.634 9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.384 10.437 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.932 12.080 10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.053 11.901 8.631 1.00 0.00 H new ATOM 0 HE ARG A 14 2.944 13.728 9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.172 13.314 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.262 14.986 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.078 15.864 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.521 16.421 8.056 1.00 0.00 H new ATOM 235 N LEU A 15 0.723 8.251 7.857 1.00 0.00 N ATOM 236 CA LEU A 15 -0.659 7.938 8.165 1.00 0.00 C ATOM 237 C LEU A 15 -0.780 6.694 9.032 1.00 0.00 C ATOM 238 O LEU A 15 -1.223 6.766 10.179 1.00 0.00 O ATOM 239 CB LEU A 15 -1.439 7.741 6.878 1.00 0.00 C ATOM 240 CG LEU A 15 -2.137 8.993 6.386 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.714 8.766 5.002 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.223 9.417 7.362 1.00 0.00 C ATOM 0 H LEU A 15 0.945 8.262 6.861 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.071 8.776 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.759 7.387 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.182 6.959 7.031 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.405 9.798 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.212 9.674 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.911 8.512 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.434 7.949 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.713 10.318 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.958 8.618 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.778 9.620 8.336 1.00 0.00 H new ATOM 254 N VAL A 16 -0.392 5.554 8.477 1.00 0.00 N ATOM 255 CA VAL A 16 -0.470 4.295 9.204 1.00 0.00 C ATOM 256 C VAL A 16 0.475 4.290 10.395 1.00 0.00 C ATOM 257 O VAL A 16 0.268 3.553 11.359 1.00 0.00 O ATOM 258 CB VAL A 16 -0.150 3.098 8.279 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.171 2.430 8.648 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.276 2.081 8.300 1.00 0.00 C ATOM 0 H VAL A 16 -0.022 5.475 7.530 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.492 4.194 9.568 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.052 3.493 7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.357 1.594 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.981 3.154 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.120 2.064 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.027 1.249 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.413 1.711 9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.198 2.551 7.957 1.00 0.00 H new ATOM 270 N GLN A 17 1.524 5.095 10.316 1.00 0.00 N ATOM 271 CA GLN A 17 2.501 5.146 11.388 1.00 0.00 C ATOM 272 C GLN A 17 2.210 6.266 12.389 1.00 0.00 C ATOM 273 O GLN A 17 2.893 6.375 13.407 1.00 0.00 O ATOM 274 CB GLN A 17 3.908 5.292 10.808 1.00 0.00 C ATOM 275 CG GLN A 17 4.367 4.077 10.005 1.00 0.00 C ATOM 276 CD GLN A 17 5.526 3.353 10.661 1.00 0.00 C ATOM 277 OE1 GLN A 17 5.479 2.140 10.866 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.575 4.095 10.996 1.00 0.00 N ATOM 0 H GLN A 17 1.718 5.715 9.529 1.00 0.00 H new ATOM 0 HA GLN A 17 2.434 4.207 11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.938 6.173 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.611 5.466 11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.532 3.387 9.887 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.661 4.396 9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.572 5.097 10.808 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.384 3.663 11.442 1.00 0.00 H new ATOM 287 N GLN A 18 1.198 7.095 12.118 1.00 0.00 N ATOM 288 CA GLN A 18 0.863 8.180 13.040 1.00 0.00 C ATOM 289 C GLN A 18 -0.647 8.374 13.187 1.00 0.00 C ATOM 290 O GLN A 18 -1.100 9.460 13.550 1.00 0.00 O ATOM 291 CB GLN A 18 1.541 9.486 12.610 1.00 0.00 C ATOM 292 CG GLN A 18 0.693 10.381 11.720 1.00 0.00 C ATOM 293 CD GLN A 18 0.424 11.739 12.338 1.00 0.00 C ATOM 294 OE1 GLN A 18 0.486 12.766 11.661 1.00 0.00 O ATOM 295 NE2 GLN A 18 0.124 11.752 13.632 1.00 0.00 N ATOM 0 H GLN A 18 0.609 7.038 11.287 1.00 0.00 H new ATOM 0 HA GLN A 18 1.243 7.895 14.021 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.820 10.045 13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.464 9.244 12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.197 10.516 10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.256 9.886 11.514 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.084 10.877 14.155 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.066 12.637 14.103 1.00 0.00 H new ATOM 304 N GLU A 19 -1.428 7.330 12.916 1.00 0.00 N ATOM 305 CA GLU A 19 -2.880 7.438 13.038 1.00 0.00 C ATOM 306 C GLU A 19 -3.589 6.118 12.738 1.00 0.00 C ATOM 307 O GLU A 19 -4.158 5.494 13.634 1.00 0.00 O ATOM 308 CB GLU A 19 -3.408 8.534 12.109 1.00 0.00 C ATOM 309 CG GLU A 19 -3.937 9.752 12.849 1.00 0.00 C ATOM 310 CD GLU A 19 -4.937 10.544 12.031 1.00 0.00 C ATOM 311 OE1 GLU A 19 -6.145 10.234 12.108 1.00 0.00 O ATOM 312 OE2 GLU A 19 -4.513 11.475 11.314 1.00 0.00 O ATOM 0 H GLU A 19 -1.088 6.416 12.616 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.096 7.697 14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.609 8.846 11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.204 8.122 11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.407 9.431 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.102 10.398 13.120 1.00 0.00 H new ATOM 319 N SER A 20 -3.573 5.707 11.472 1.00 0.00 N ATOM 320 CA SER A 20 -4.240 4.472 11.056 1.00 0.00 C ATOM 321 C SER A 20 -3.921 3.312 11.999 1.00 0.00 C ATOM 322 O SER A 20 -4.826 2.649 12.505 1.00 0.00 O ATOM 323 CB SER A 20 -3.846 4.103 9.623 1.00 0.00 C ATOM 324 OG SER A 20 -4.980 3.746 8.850 1.00 0.00 O ATOM 0 H SER A 20 -3.107 6.209 10.716 1.00 0.00 H new ATOM 0 HA SER A 20 -5.314 4.654 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.336 4.946 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.140 3.273 9.641 1.00 0.00 H new ATOM 0 HG SER A 20 -4.697 3.517 7.940 1.00 0.00 H new ATOM 330 N GLY A 21 -2.636 3.067 12.226 1.00 0.00 N ATOM 331 CA GLY A 21 -2.235 1.980 13.102 1.00 0.00 C ATOM 332 C GLY A 21 -2.264 0.640 12.395 1.00 0.00 C ATOM 333 O GLY A 21 -2.642 -0.375 12.980 1.00 0.00 O ATOM 0 H GLY A 21 -1.866 3.599 11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.230 2.170 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.898 1.948 13.967 1.00 0.00 H new ATOM 337 N ASP A 22 -1.870 0.650 11.126 1.00 0.00 N ATOM 338 CA ASP A 22 -1.848 -0.558 10.298 1.00 0.00 C ATOM 339 C ASP A 22 -3.259 -0.908 9.812 1.00 0.00 C ATOM 340 O ASP A 22 -3.538 -2.053 9.458 1.00 0.00 O ATOM 341 CB ASP A 22 -1.257 -1.739 11.076 1.00 0.00 C ATOM 342 CG ASP A 22 -0.771 -2.847 10.163 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.616 -3.620 9.665 1.00 0.00 O ATOM 344 OD2 ASP A 22 0.456 -2.942 9.946 1.00 0.00 O ATOM 0 H ASP A 22 -1.557 1.491 10.641 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.218 -0.358 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.428 -1.388 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.011 -2.136 11.756 1.00 0.00 H new ATOM 349 N CYS A 23 -4.143 0.092 9.800 1.00 0.00 N ATOM 350 CA CYS A 23 -5.527 -0.092 9.361 1.00 0.00 C ATOM 351 C CYS A 23 -5.604 -0.175 7.837 1.00 0.00 C ATOM 352 O CYS A 23 -4.647 -0.597 7.193 1.00 0.00 O ATOM 353 CB CYS A 23 -6.386 1.059 9.899 1.00 0.00 C ATOM 354 SG CYS A 23 -7.755 0.522 10.951 1.00 0.00 S ATOM 0 H CYS A 23 -3.922 1.044 10.092 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.910 -1.032 9.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.750 1.739 10.466 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.787 1.624 9.058 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.518 0.867 12.182 1.00 0.00 H new ATOM 360 N THR A 24 -6.735 0.224 7.257 1.00 0.00 N ATOM 361 CA THR A 24 -6.893 0.178 5.809 1.00 0.00 C ATOM 362 C THR A 24 -6.754 1.573 5.225 1.00 0.00 C ATOM 363 O THR A 24 -6.783 2.563 5.955 1.00 0.00 O ATOM 364 CB THR A 24 -8.249 -0.418 5.428 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.971 -0.814 6.581 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.136 -1.621 4.521 1.00 0.00 C ATOM 0 H THR A 24 -7.546 0.579 7.763 1.00 0.00 H new ATOM 0 HA THR A 24 -6.111 -0.461 5.399 1.00 0.00 H new ATOM 0 HB THR A 24 -8.771 0.375 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.895 -0.493 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.133 -1.996 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.631 -1.335 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.562 -2.401 5.021 1.00 0.00 H new ATOM 374 N GLY A 25 -6.575 1.651 3.912 1.00 0.00 N ATOM 375 CA GLY A 25 -6.406 2.940 3.280 1.00 0.00 C ATOM 376 C GLY A 25 -7.341 3.180 2.122 1.00 0.00 C ATOM 377 O GLY A 25 -7.833 2.243 1.492 1.00 0.00 O ATOM 0 H GLY A 25 -6.544 0.851 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.558 3.721 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.378 3.030 2.929 1.00 0.00 H new ATOM 381 N LYS A 26 -7.572 4.454 1.844 1.00 0.00 N ATOM 382 CA LYS A 26 -8.439 4.866 0.754 1.00 0.00 C ATOM 383 C LYS A 26 -7.695 5.824 -0.169 1.00 0.00 C ATOM 384 O LYS A 26 -7.181 6.850 0.281 1.00 0.00 O ATOM 385 CB LYS A 26 -9.695 5.538 1.311 1.00 0.00 C ATOM 386 CG LYS A 26 -9.425 6.880 1.959 1.00 0.00 C ATOM 387 CD LYS A 26 -9.644 8.019 0.975 1.00 0.00 C ATOM 388 CE LYS A 26 -10.591 9.071 1.532 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.799 8.462 2.155 1.00 0.00 N ATOM 0 H LYS A 26 -7.164 5.229 2.367 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.735 3.986 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.415 5.672 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.157 4.876 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.080 7.009 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.401 6.908 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.687 8.482 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.048 7.622 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.067 9.675 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.897 9.744 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.623 9.074 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.972 7.526 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.647 8.360 3.179 1.00 0.00 H new ATOM 403 N LEU A 27 -7.626 5.485 -1.455 1.00 0.00 N ATOM 404 CA LEU A 27 -6.926 6.324 -2.421 1.00 0.00 C ATOM 405 C LEU A 27 -7.882 6.945 -3.434 1.00 0.00 C ATOM 406 O LEU A 27 -8.863 6.330 -3.851 1.00 0.00 O ATOM 407 CB LEU A 27 -5.850 5.524 -3.153 1.00 0.00 C ATOM 408 CG LEU A 27 -4.849 6.371 -3.947 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.424 5.910 -3.680 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.162 6.317 -5.436 1.00 0.00 C ATOM 0 H LEU A 27 -8.043 4.642 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.456 7.131 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.302 4.927 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.336 4.827 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.940 7.406 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.729 6.524 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.203 6.008 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.317 4.867 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.440 6.925 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.104 5.285 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.166 6.702 -5.611 1.00 0.00 H new ATOM 422 N ARG A 28 -7.566 8.173 -3.822 1.00 0.00 N ATOM 423 CA ARG A 28 -8.352 8.931 -4.789 1.00 0.00 C ATOM 424 C ARG A 28 -7.854 10.368 -4.804 1.00 0.00 C ATOM 425 O ARG A 28 -8.612 11.313 -4.585 1.00 0.00 O ATOM 426 CB ARG A 28 -9.846 8.881 -4.452 1.00 0.00 C ATOM 427 CG ARG A 28 -10.153 9.099 -2.977 1.00 0.00 C ATOM 428 CD ARG A 28 -10.720 7.847 -2.319 1.00 0.00 C ATOM 429 NE ARG A 28 -11.652 7.128 -3.187 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.945 7.425 -3.296 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.463 8.437 -2.610 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.724 6.710 -4.097 1.00 0.00 N ATOM 0 H ARG A 28 -6.751 8.676 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.229 8.487 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.366 9.639 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.245 7.914 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.243 9.400 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.865 9.917 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.901 7.183 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.229 8.125 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.290 6.353 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.869 8.993 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.455 8.659 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.332 5.933 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.715 6.937 -4.181 1.00 0.00 H new ATOM 446 N GLY A 29 -6.551 10.506 -5.020 1.00 0.00 N ATOM 447 CA GLY A 29 -5.916 11.809 -5.014 1.00 0.00 C ATOM 448 C GLY A 29 -5.041 11.967 -3.785 1.00 0.00 C ATOM 449 O GLY A 29 -4.148 12.812 -3.742 1.00 0.00 O ATOM 0 H GLY A 29 -5.917 9.728 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.314 11.931 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.676 12.591 -5.030 1.00 0.00 H new ATOM 453 N ASN A 30 -5.315 11.126 -2.788 1.00 0.00 N ATOM 454 CA ASN A 30 -4.584 11.110 -1.532 1.00 0.00 C ATOM 455 C ASN A 30 -4.924 9.827 -0.783 1.00 0.00 C ATOM 456 O ASN A 30 -5.904 9.159 -1.114 1.00 0.00 O ATOM 457 CB ASN A 30 -4.930 12.356 -0.696 1.00 0.00 C ATOM 458 CG ASN A 30 -5.654 12.041 0.607 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.736 11.272 0.522 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.242 12.486 1.679 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.060 10.431 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.511 11.134 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.011 12.896 -0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.552 13.022 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.408 13.072 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.735 12.268 2.545 1.00 0.00 H new ATOM 467 N VAL A 31 -4.146 9.487 0.232 1.00 0.00 N ATOM 468 CA VAL A 31 -4.429 8.287 1.005 1.00 0.00 C ATOM 469 C VAL A 31 -4.992 8.645 2.375 1.00 0.00 C ATOM 470 O VAL A 31 -4.471 9.512 3.074 1.00 0.00 O ATOM 471 CB VAL A 31 -3.192 7.378 1.161 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.967 8.184 1.547 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.452 6.276 2.179 1.00 0.00 C ATOM 0 H VAL A 31 -3.327 10.014 0.537 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.177 7.725 0.445 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.999 6.912 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.111 7.518 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.760 8.924 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.149 8.691 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.565 5.649 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.683 6.722 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.294 5.667 1.849 1.00 0.00 H new ATOM 483 N ALA A 32 -6.063 7.958 2.742 1.00 0.00 N ATOM 484 CA ALA A 32 -6.726 8.165 4.023 1.00 0.00 C ATOM 485 C ALA A 32 -6.783 6.848 4.781 1.00 0.00 C ATOM 486 O ALA A 32 -6.522 5.796 4.203 1.00 0.00 O ATOM 487 CB ALA A 32 -8.119 8.744 3.827 1.00 0.00 C ATOM 0 H ALA A 32 -6.498 7.241 2.161 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.154 8.885 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.593 8.889 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.046 9.702 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.718 8.056 3.230 1.00 0.00 H new ATOM 493 N ALA A 33 -7.097 6.900 6.072 1.00 0.00 N ATOM 494 CA ALA A 33 -7.136 5.687 6.882 1.00 0.00 C ATOM 495 C ALA A 33 -8.559 5.203 7.134 1.00 0.00 C ATOM 496 O ALA A 33 -9.470 5.989 7.394 1.00 0.00 O ATOM 497 CB ALA A 33 -6.422 5.923 8.204 1.00 0.00 C ATOM 0 H ALA A 33 -7.326 7.758 6.575 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.624 4.905 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.455 5.013 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.384 6.194 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.915 6.731 8.744 1.00 0.00 H new ATOM 503 N ASN A 34 -8.723 3.885 7.041 1.00 0.00 N ATOM 504 CA ASN A 34 -10.012 3.234 7.240 1.00 0.00 C ATOM 505 C ASN A 34 -9.974 2.338 8.474 1.00 0.00 C ATOM 506 O ASN A 34 -9.136 1.440 8.572 1.00 0.00 O ATOM 507 CB ASN A 34 -10.352 2.401 6.002 1.00 0.00 C ATOM 508 CG ASN A 34 -11.624 1.588 6.155 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.531 0.289 5.879 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.675 2.118 6.515 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.964 3.239 6.825 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.776 3.996 7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.455 3.065 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.522 1.727 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.699 3.118 6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.522 1.557 6.612 1.00 0.00 H new ATOM 517 N LYS A 35 -10.885 2.586 9.410 1.00 0.00 N ATOM 518 CA LYS A 35 -10.954 1.797 10.636 1.00 0.00 C ATOM 519 C LYS A 35 -12.397 1.432 10.973 1.00 0.00 C ATOM 520 O LYS A 35 -12.718 1.139 12.125 1.00 0.00 O ATOM 521 CB LYS A 35 -10.330 2.565 11.804 1.00 0.00 C ATOM 522 CG LYS A 35 -9.155 3.445 11.407 1.00 0.00 C ATOM 523 CD LYS A 35 -8.160 3.596 12.548 1.00 0.00 C ATOM 524 CE LYS A 35 -8.275 4.959 13.212 1.00 0.00 C ATOM 525 NZ LYS A 35 -9.684 5.293 13.555 1.00 0.00 N ATOM 0 H LYS A 35 -11.584 3.325 9.344 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.392 0.878 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.096 3.187 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.998 1.852 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.653 3.015 10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.520 4.428 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.332 2.814 13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.147 3.459 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.668 4.974 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.873 5.722 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.698 5.959 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.148 5.728 12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.192 4.425 13.819 1.00 0.00 H new ATOM 539 N GLU A 36 -13.265 1.454 9.966 1.00 0.00 N ATOM 540 CA GLU A 36 -14.673 1.128 10.164 1.00 0.00 C ATOM 541 C GLU A 36 -15.085 -0.085 9.332 1.00 0.00 C ATOM 542 O GLU A 36 -16.044 -0.780 9.669 1.00 0.00 O ATOM 543 CB GLU A 36 -15.549 2.332 9.807 1.00 0.00 C ATOM 544 CG GLU A 36 -16.236 2.962 11.009 1.00 0.00 C ATOM 545 CD GLU A 36 -16.185 4.477 10.981 1.00 0.00 C ATOM 546 OE1 GLU A 36 -16.561 5.065 9.945 1.00 0.00 O ATOM 547 OE2 GLU A 36 -15.767 5.076 11.994 1.00 0.00 O ATOM 0 H GLU A 36 -13.018 1.694 9.006 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.815 0.880 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.934 3.085 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.307 2.019 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.276 2.638 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.763 2.603 11.923 1.00 0.00 H new ATOM 554 N THR A 37 -14.360 -0.335 8.244 1.00 0.00 N ATOM 555 CA THR A 37 -14.663 -1.465 7.370 1.00 0.00 C ATOM 556 C THR A 37 -13.500 -2.449 7.322 1.00 0.00 C ATOM 557 O THR A 37 -12.453 -2.223 7.929 1.00 0.00 O ATOM 558 CB THR A 37 -14.994 -0.978 5.957 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.811 -0.705 5.228 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.845 0.275 5.937 1.00 0.00 C ATOM 0 H THR A 37 -13.562 0.227 7.948 1.00 0.00 H new ATOM 0 HA THR A 37 -15.532 -1.979 7.780 1.00 0.00 H new ATOM 0 HB THR A 37 -15.560 -1.790 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.104 -0.424 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.042 0.565 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.789 0.082 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.317 1.082 6.446 1.00 0.00 H new ATOM 568 N THR A 38 -13.695 -3.541 6.592 1.00 0.00 N ATOM 569 CA THR A 38 -12.671 -4.566 6.454 1.00 0.00 C ATOM 570 C THR A 38 -12.437 -4.885 4.983 1.00 0.00 C ATOM 571 O THR A 38 -13.331 -5.376 4.294 1.00 0.00 O ATOM 572 CB THR A 38 -13.082 -5.834 7.207 1.00 0.00 C ATOM 573 OG1 THR A 38 -14.064 -6.552 6.480 1.00 0.00 O ATOM 574 CG2 THR A 38 -13.643 -5.556 8.585 1.00 0.00 C ATOM 0 H THR A 38 -14.558 -3.739 6.085 1.00 0.00 H new ATOM 0 HA THR A 38 -11.743 -4.188 6.884 1.00 0.00 H new ATOM 0 HB THR A 38 -12.167 -6.416 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.652 -6.962 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 38 -13.914 -6.497 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.892 -5.045 9.188 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.528 -4.925 8.497 1.00 0.00 H new ATOM 582 N PHE A 39 -11.239 -4.582 4.504 1.00 0.00 N ATOM 583 CA PHE A 39 -10.900 -4.822 3.107 1.00 0.00 C ATOM 584 C PHE A 39 -10.816 -6.327 2.795 1.00 0.00 C ATOM 585 O PHE A 39 -11.796 -6.908 2.333 1.00 0.00 O ATOM 586 CB PHE A 39 -9.624 -4.037 2.709 1.00 0.00 C ATOM 587 CG PHE A 39 -8.323 -4.566 3.263 1.00 0.00 C ATOM 588 CD1 PHE A 39 -8.081 -4.580 4.631 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.337 -5.045 2.411 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.887 -5.062 5.133 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.143 -5.528 2.910 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.918 -5.536 4.272 1.00 0.00 C ATOM 0 H PHE A 39 -10.488 -4.171 5.059 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.707 -4.438 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.554 -4.023 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.741 -3.003 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.835 -4.210 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.506 -5.040 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.712 -5.068 6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.386 -5.899 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.985 -5.913 4.663 1.00 0.00 H new ATOM 602 N GLN A 40 -9.670 -6.947 3.044 1.00 0.00 N ATOM 603 CA GLN A 40 -9.454 -8.384 2.794 1.00 0.00 C ATOM 604 C GLN A 40 -9.551 -8.748 1.305 1.00 0.00 C ATOM 605 O GLN A 40 -10.306 -9.638 0.913 1.00 0.00 O ATOM 606 CB GLN A 40 -10.412 -9.242 3.634 1.00 0.00 C ATOM 607 CG GLN A 40 -11.810 -9.434 3.046 1.00 0.00 C ATOM 608 CD GLN A 40 -12.919 -8.847 3.904 1.00 0.00 C ATOM 609 OE1 GLN A 40 -12.618 -7.779 4.635 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -14.042 -9.351 3.908 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.853 -6.472 3.428 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.432 -8.603 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.960 -10.223 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.511 -8.787 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.845 -8.975 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.994 -10.500 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.235 -10.171 3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.780 -8.948 4.486 1.00 0.00 H new ATOM 619 N GLY A 41 -8.766 -8.063 0.485 1.00 0.00 N ATOM 620 CA GLY A 41 -8.754 -8.316 -0.958 1.00 0.00 C ATOM 621 C GLY A 41 -10.042 -7.884 -1.652 1.00 0.00 C ATOM 622 O GLY A 41 -9.991 -7.160 -2.643 1.00 0.00 O ATOM 0 H GLY A 41 -8.128 -7.328 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.912 -7.788 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.593 -9.380 -1.133 1.00 0.00 H new ATOM 626 N LEU A 42 -11.186 -8.323 -1.108 1.00 0.00 N ATOM 627 CA LEU A 42 -12.530 -8.000 -1.619 1.00 0.00 C ATOM 628 C LEU A 42 -12.522 -7.174 -2.915 1.00 0.00 C ATOM 629 O LEU A 42 -11.909 -6.109 -2.990 1.00 0.00 O ATOM 630 CB LEU A 42 -13.302 -7.264 -0.525 1.00 0.00 C ATOM 631 CG LEU A 42 -14.744 -7.717 -0.319 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.776 -8.964 0.552 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.563 -6.601 0.312 1.00 0.00 C ATOM 0 H LEU A 42 -11.206 -8.924 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.015 -8.941 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.765 -7.382 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.304 -6.200 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.183 -7.957 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.809 -9.282 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.215 -9.762 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.327 -8.743 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.590 -6.938 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.133 -6.335 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.554 -5.729 -0.342 1.00 0.00 H new ATOM 645 N THR A 43 -13.219 -7.685 -3.929 1.00 0.00 N ATOM 646 CA THR A 43 -13.305 -7.026 -5.232 1.00 0.00 C ATOM 647 C THR A 43 -14.504 -6.084 -5.318 1.00 0.00 C ATOM 648 O THR A 43 -15.344 -6.215 -6.209 1.00 0.00 O ATOM 649 CB THR A 43 -13.409 -8.079 -6.339 1.00 0.00 C ATOM 650 OG1 THR A 43 -14.057 -9.245 -5.862 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.072 -8.498 -6.901 1.00 0.00 C ATOM 0 H THR A 43 -13.737 -8.562 -3.872 1.00 0.00 H new ATOM 0 HA THR A 43 -12.400 -6.432 -5.359 1.00 0.00 H new ATOM 0 HB THR A 43 -13.983 -7.602 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.116 -9.905 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.223 -9.245 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.567 -7.630 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.460 -8.922 -6.105 1.00 0.00 H new ATOM 659 N ILE A 44 -14.576 -5.122 -4.406 1.00 0.00 N ATOM 660 CA ILE A 44 -15.669 -4.147 -4.401 1.00 0.00 C ATOM 661 C ILE A 44 -17.056 -4.792 -4.499 1.00 0.00 C ATOM 662 O ILE A 44 -18.049 -4.093 -4.704 1.00 0.00 O ATOM 663 CB ILE A 44 -15.538 -3.184 -5.585 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.087 -2.738 -5.774 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.452 -1.982 -5.393 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.394 -3.410 -6.941 1.00 0.00 C ATOM 0 H ILE A 44 -13.893 -4.993 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.586 -3.627 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.844 -3.711 -6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.064 -1.658 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.529 -2.948 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.348 -1.307 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.486 -2.319 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.177 -1.459 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.369 -3.046 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.385 -4.489 -6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.928 -3.180 -7.863 1.00 0.00 H new ATOM 678 N ALA A 45 -17.130 -6.110 -4.386 1.00 0.00 N ATOM 679 CA ALA A 45 -18.407 -6.806 -4.501 1.00 0.00 C ATOM 680 C ALA A 45 -18.988 -7.186 -3.144 1.00 0.00 C ATOM 681 O ALA A 45 -20.119 -6.825 -2.820 1.00 0.00 O ATOM 682 CB ALA A 45 -18.249 -8.047 -5.366 1.00 0.00 C ATOM 0 H ALA A 45 -16.328 -6.717 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.108 -6.116 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.208 -8.559 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.909 -7.757 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.517 -8.715 -4.913 1.00 0.00 H new ATOM 688 N SER A 46 -18.219 -7.934 -2.366 1.00 0.00 N ATOM 689 CA SER A 46 -18.669 -8.386 -1.051 1.00 0.00 C ATOM 690 C SER A 46 -19.118 -7.219 -0.175 1.00 0.00 C ATOM 691 O SER A 46 -19.951 -7.388 0.716 1.00 0.00 O ATOM 692 CB SER A 46 -17.559 -9.170 -0.352 1.00 0.00 C ATOM 693 OG SER A 46 -17.980 -10.490 -0.051 1.00 0.00 O ATOM 0 H SER A 46 -17.280 -8.242 -2.620 1.00 0.00 H new ATOM 0 HA SER A 46 -19.529 -9.038 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.676 -9.203 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.271 -8.658 0.566 1.00 0.00 H new ATOM 0 HG SER A 46 -17.252 -10.972 0.394 1.00 0.00 H new ATOM 699 N GLY A 47 -18.567 -6.037 -0.430 1.00 0.00 N ATOM 700 CA GLY A 47 -18.936 -4.871 0.352 1.00 0.00 C ATOM 701 C GLY A 47 -17.755 -3.972 0.666 1.00 0.00 C ATOM 702 O GLY A 47 -17.661 -3.423 1.764 1.00 0.00 O ATOM 0 H GLY A 47 -17.875 -5.866 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.687 -4.298 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.396 -5.196 1.285 1.00 0.00 H new ATOM 706 N ALA A 48 -16.859 -3.812 -0.301 1.00 0.00 N ATOM 707 CA ALA A 48 -15.687 -2.965 -0.125 1.00 0.00 C ATOM 708 C ALA A 48 -15.962 -1.562 -0.646 1.00 0.00 C ATOM 709 O ALA A 48 -17.108 -1.204 -0.918 1.00 0.00 O ATOM 710 CB ALA A 48 -14.489 -3.567 -0.843 1.00 0.00 C ATOM 0 H ALA A 48 -16.923 -4.259 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.462 -2.902 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.620 -2.924 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.279 -4.555 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.709 -3.654 -1.907 1.00 0.00 H new ATOM 716 N ARG A 49 -14.907 -0.774 -0.790 1.00 0.00 N ATOM 717 CA ARG A 49 -15.037 0.586 -1.286 1.00 0.00 C ATOM 718 C ARG A 49 -14.067 0.832 -2.434 1.00 0.00 C ATOM 719 O ARG A 49 -12.967 0.283 -2.457 1.00 0.00 O ATOM 720 CB ARG A 49 -14.783 1.589 -0.159 1.00 0.00 C ATOM 721 CG ARG A 49 -15.798 1.507 0.970 1.00 0.00 C ATOM 722 CD ARG A 49 -15.262 0.712 2.150 1.00 0.00 C ATOM 723 NE ARG A 49 -13.950 1.190 2.582 1.00 0.00 N ATOM 724 CZ ARG A 49 -13.757 2.332 3.238 1.00 0.00 C ATOM 725 NH1 ARG A 49 -14.785 3.114 3.540 1.00 0.00 N ATOM 726 NH2 ARG A 49 -12.531 2.692 3.593 1.00 0.00 N ATOM 0 H ARG A 49 -13.951 -1.054 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.054 0.721 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.786 1.421 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.793 2.597 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.060 2.513 1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.713 1.042 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.964 0.779 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.192 -0.341 1.876 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.135 0.615 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.730 2.841 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.631 3.988 4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.737 2.094 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.382 3.567 4.096 1.00 0.00 H new ATOM 740 N GLU A 50 -14.476 1.664 -3.383 1.00 0.00 N ATOM 741 CA GLU A 50 -13.633 1.986 -4.528 1.00 0.00 C ATOM 742 C GLU A 50 -12.259 2.470 -4.068 1.00 0.00 C ATOM 743 O GLU A 50 -11.275 2.386 -4.805 1.00 0.00 O ATOM 744 CB GLU A 50 -14.305 3.060 -5.386 1.00 0.00 C ATOM 745 CG GLU A 50 -13.754 3.148 -6.799 1.00 0.00 C ATOM 746 CD GLU A 50 -13.981 4.508 -7.428 1.00 0.00 C ATOM 747 OE1 GLU A 50 -13.463 5.507 -6.885 1.00 0.00 O ATOM 748 OE2 GLU A 50 -14.678 4.576 -8.462 1.00 0.00 O ATOM 0 H GLU A 50 -15.385 2.128 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.499 1.083 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.375 2.856 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.187 4.028 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.686 2.933 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.224 2.383 -7.417 1.00 0.00 H new ATOM 755 N SER A 51 -12.212 2.984 -2.844 1.00 0.00 N ATOM 756 CA SER A 51 -10.983 3.502 -2.258 1.00 0.00 C ATOM 757 C SER A 51 -9.903 2.427 -2.120 1.00 0.00 C ATOM 758 O SER A 51 -8.848 2.512 -2.746 1.00 0.00 O ATOM 759 CB SER A 51 -11.296 4.101 -0.891 1.00 0.00 C ATOM 760 OG SER A 51 -12.533 3.622 -0.392 1.00 0.00 O ATOM 0 H SER A 51 -13.024 3.053 -2.231 1.00 0.00 H new ATOM 0 HA SER A 51 -10.589 4.266 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.498 3.853 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.328 5.188 -0.966 1.00 0.00 H new ATOM 0 HG SER A 51 -12.708 4.021 0.486 1.00 0.00 H new ATOM 766 N GLU A 52 -10.152 1.427 -1.281 1.00 0.00 N ATOM 767 CA GLU A 52 -9.181 0.360 -1.064 1.00 0.00 C ATOM 768 C GLU A 52 -8.738 -0.282 -2.382 1.00 0.00 C ATOM 769 O GLU A 52 -7.539 -0.428 -2.641 1.00 0.00 O ATOM 770 CB GLU A 52 -9.748 -0.708 -0.119 1.00 0.00 C ATOM 771 CG GLU A 52 -11.243 -0.965 -0.275 1.00 0.00 C ATOM 772 CD GLU A 52 -11.953 -1.087 1.060 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.638 -0.297 1.974 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.824 -1.972 1.191 1.00 0.00 O ATOM 0 H GLU A 52 -11.013 1.333 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.304 0.811 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.213 -1.643 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.550 -0.406 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.690 -0.153 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.393 -1.880 -0.848 1.00 0.00 H new ATOM 781 N LYS A 53 -9.703 -0.673 -3.212 1.00 0.00 N ATOM 782 CA LYS A 53 -9.392 -1.310 -4.490 1.00 0.00 C ATOM 783 C LYS A 53 -8.458 -0.445 -5.342 1.00 0.00 C ATOM 784 O LYS A 53 -7.375 -0.895 -5.721 1.00 0.00 O ATOM 785 CB LYS A 53 -10.672 -1.647 -5.260 1.00 0.00 C ATOM 786 CG LYS A 53 -11.601 -0.465 -5.446 1.00 0.00 C ATOM 787 CD LYS A 53 -11.619 0.010 -6.891 1.00 0.00 C ATOM 788 CE LYS A 53 -13.014 -0.054 -7.496 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.134 0.806 -8.706 1.00 0.00 N ATOM 0 H LYS A 53 -10.699 -0.561 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.869 -2.240 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.403 -2.043 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.205 -2.437 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.610 -0.743 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.286 0.352 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.249 1.034 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.939 -0.603 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.249 -1.085 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.747 0.260 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.120 1.120 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.515 1.636 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.851 0.263 -9.547 1.00 0.00 H new ATOM 803 N VAL A 54 -8.856 0.797 -5.640 1.00 0.00 N ATOM 804 CA VAL A 54 -8.015 1.673 -6.434 1.00 0.00 C ATOM 805 C VAL A 54 -6.631 1.787 -5.811 1.00 0.00 C ATOM 806 O VAL A 54 -5.618 1.640 -6.493 1.00 0.00 O ATOM 807 CB VAL A 54 -8.625 3.075 -6.575 1.00 0.00 C ATOM 808 CG1 VAL A 54 -9.860 3.042 -7.461 1.00 0.00 C ATOM 809 CG2 VAL A 54 -8.944 3.679 -5.218 1.00 0.00 C ATOM 0 H VAL A 54 -9.743 1.205 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.937 1.232 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.882 3.713 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.274 4.047 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.588 2.677 -8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.605 2.378 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.374 4.671 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.658 3.042 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.029 3.757 -4.630 1.00 0.00 H new ATOM 819 N PHE A 55 -6.600 2.025 -4.502 1.00 0.00 N ATOM 820 CA PHE A 55 -5.341 2.132 -3.770 1.00 0.00 C ATOM 821 C PHE A 55 -4.436 0.959 -4.125 1.00 0.00 C ATOM 822 O PHE A 55 -3.235 1.124 -4.353 1.00 0.00 O ATOM 823 CB PHE A 55 -5.606 2.149 -2.262 1.00 0.00 C ATOM 824 CG PHE A 55 -4.532 2.825 -1.449 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.325 3.202 -2.023 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.736 3.086 -0.104 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.348 3.825 -1.270 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.762 3.707 0.653 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.567 4.078 0.069 1.00 0.00 C ATOM 0 H PHE A 55 -7.433 2.147 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.848 3.063 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.555 2.652 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.717 1.122 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.148 3.006 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.669 2.800 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.414 4.114 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.935 3.902 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.805 4.565 0.659 1.00 0.00 H new ATOM 839 N ALA A 56 -5.035 -0.227 -4.190 1.00 0.00 N ATOM 840 CA ALA A 56 -4.299 -1.431 -4.542 1.00 0.00 C ATOM 841 C ALA A 56 -3.777 -1.333 -5.966 1.00 0.00 C ATOM 842 O ALA A 56 -2.622 -1.656 -6.242 1.00 0.00 O ATOM 843 CB ALA A 56 -5.186 -2.657 -4.392 1.00 0.00 C ATOM 0 H ALA A 56 -6.027 -0.377 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.451 -1.529 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.621 -3.550 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.524 -2.737 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.050 -2.564 -5.050 1.00 0.00 H new ATOM 849 N GLN A 57 -4.641 -0.880 -6.871 1.00 0.00 N ATOM 850 CA GLN A 57 -4.269 -0.733 -8.273 1.00 0.00 C ATOM 851 C GLN A 57 -3.049 0.174 -8.427 1.00 0.00 C ATOM 852 O GLN A 57 -2.102 -0.157 -9.142 1.00 0.00 O ATOM 853 CB GLN A 57 -5.442 -0.166 -9.075 1.00 0.00 C ATOM 854 CG GLN A 57 -6.714 -0.989 -8.957 1.00 0.00 C ATOM 855 CD GLN A 57 -6.517 -2.431 -9.382 1.00 0.00 C ATOM 856 OE1 GLN A 57 -6.507 -2.744 -10.572 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.357 -3.319 -8.407 1.00 0.00 N ATOM 0 H GLN A 57 -5.601 -0.609 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.014 -1.720 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.644 0.851 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.156 -0.102 -10.125 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.065 -0.963 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.493 -0.537 -9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.372 -3.016 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.219 -4.304 -8.632 1.00 0.00 H new ATOM 866 N THR A 58 -3.080 1.320 -7.753 1.00 0.00 N ATOM 867 CA THR A 58 -1.978 2.276 -7.822 1.00 0.00 C ATOM 868 C THR A 58 -0.701 1.690 -7.241 1.00 0.00 C ATOM 869 O THR A 58 0.290 1.516 -7.950 1.00 0.00 O ATOM 870 CB THR A 58 -2.324 3.586 -7.099 1.00 0.00 C ATOM 871 OG1 THR A 58 -1.148 4.305 -6.770 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.122 3.417 -5.823 1.00 0.00 C ATOM 0 H THR A 58 -3.854 1.609 -7.154 1.00 0.00 H new ATOM 0 HA THR A 58 -1.814 2.495 -8.877 1.00 0.00 H new ATOM 0 HB THR A 58 -2.947 4.126 -7.812 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.342 4.936 -6.046 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.318 4.395 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.068 2.924 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.555 2.810 -5.117 1.00 0.00 H new ATOM 880 N VAL A 59 -0.728 1.398 -5.948 1.00 0.00 N ATOM 881 CA VAL A 59 0.440 0.838 -5.273 1.00 0.00 C ATOM 882 C VAL A 59 1.050 -0.297 -6.089 1.00 0.00 C ATOM 883 O VAL A 59 2.243 -0.288 -6.376 1.00 0.00 O ATOM 884 CB VAL A 59 0.114 0.339 -3.844 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.910 -0.782 -3.866 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.377 -0.122 -3.134 1.00 0.00 C ATOM 0 H VAL A 59 -1.540 1.538 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 59 1.164 1.648 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.314 1.178 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.115 -1.108 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.832 -0.424 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.519 -1.620 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.125 -0.468 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.833 -0.937 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.079 0.709 -3.065 1.00 0.00 H new ATOM 896 N LEU A 60 0.222 -1.261 -6.482 1.00 0.00 N ATOM 897 CA LEU A 60 0.694 -2.386 -7.281 1.00 0.00 C ATOM 898 C LEU A 60 1.382 -1.898 -8.552 1.00 0.00 C ATOM 899 O LEU A 60 2.486 -2.333 -8.878 1.00 0.00 O ATOM 900 CB LEU A 60 -0.472 -3.311 -7.639 1.00 0.00 C ATOM 901 CG LEU A 60 -0.154 -4.376 -8.695 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.405 -5.770 -8.146 1.00 0.00 C ATOM 903 CD2 LEU A 60 -0.974 -4.142 -9.955 1.00 0.00 C ATOM 0 H LEU A 60 -0.774 -1.285 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 60 1.419 -2.943 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.811 -3.811 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.302 -2.702 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 60 0.902 -4.296 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.173 -6.510 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.229 -5.938 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.452 -5.864 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.734 -4.908 -10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.036 -4.191 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.740 -3.159 -10.364 1.00 0.00 H new ATOM 915 N SER A 61 0.722 -0.993 -9.269 1.00 0.00 N ATOM 916 CA SER A 61 1.272 -0.449 -10.506 1.00 0.00 C ATOM 917 C SER A 61 2.652 0.158 -10.277 1.00 0.00 C ATOM 918 O SER A 61 3.638 -0.283 -10.868 1.00 0.00 O ATOM 919 CB SER A 61 0.334 0.603 -11.088 1.00 0.00 C ATOM 920 OG SER A 61 -0.953 0.063 -11.335 1.00 0.00 O ATOM 0 H SER A 61 -0.193 -0.621 -9.015 1.00 0.00 H new ATOM 0 HA SER A 61 1.372 -1.271 -11.215 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.252 1.443 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.752 0.993 -12.016 1.00 0.00 H new ATOM 0 HG SER A 61 -1.568 0.347 -10.627 1.00 0.00 H new ATOM 926 N HIS A 62 2.722 1.170 -9.412 1.00 0.00 N ATOM 927 CA HIS A 62 3.987 1.827 -9.106 1.00 0.00 C ATOM 928 C HIS A 62 5.049 0.789 -8.773 1.00 0.00 C ATOM 929 O HIS A 62 6.214 0.930 -9.144 1.00 0.00 O ATOM 930 CB HIS A 62 3.813 2.796 -7.936 1.00 0.00 C ATOM 931 CG HIS A 62 3.595 4.215 -8.362 1.00 0.00 C ATOM 932 ND1 HIS A 62 2.614 5.021 -7.823 1.00 0.00 N ATOM 933 CD2 HIS A 62 4.238 4.974 -9.281 1.00 0.00 C ATOM 934 CE1 HIS A 62 2.663 6.212 -8.392 1.00 0.00 C ATOM 935 NE2 HIS A 62 3.640 6.209 -9.280 1.00 0.00 N ATOM 0 H HIS A 62 1.918 1.550 -8.913 1.00 0.00 H new ATOM 0 HA HIS A 62 4.308 2.391 -9.982 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.967 2.473 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.697 2.748 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.067 4.665 -9.900 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.014 7.046 -8.169 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.907 6.997 -9.870 1.00 0.00 H new ATOM 944 N VAL A 63 4.627 -0.263 -8.083 1.00 0.00 N ATOM 945 CA VAL A 63 5.526 -1.342 -7.709 1.00 0.00 C ATOM 946 C VAL A 63 5.825 -2.226 -8.921 1.00 0.00 C ATOM 947 O VAL A 63 6.844 -2.053 -9.590 1.00 0.00 O ATOM 948 CB VAL A 63 4.928 -2.177 -6.568 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.889 -3.241 -6.076 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.511 -1.278 -5.423 1.00 0.00 C ATOM 0 H VAL A 63 3.664 -0.390 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 63 6.461 -0.906 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 63 4.050 -2.688 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.423 -3.807 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.136 -3.915 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.799 -2.767 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.089 -1.883 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.381 -0.737 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.763 -0.566 -5.773 1.00 0.00 H new ATOM 960 N ALA A 64 4.918 -3.155 -9.215 1.00 0.00 N ATOM 961 CA ALA A 64 5.062 -4.051 -10.365 1.00 0.00 C ATOM 962 C ALA A 64 6.147 -5.118 -10.155 1.00 0.00 C ATOM 963 O ALA A 64 6.305 -6.012 -10.985 1.00 0.00 O ATOM 964 CB ALA A 64 5.365 -3.245 -11.621 1.00 0.00 C ATOM 0 H ALA A 64 4.070 -3.309 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 64 4.113 -4.576 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.470 -3.920 -12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.549 -2.547 -11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.293 -2.690 -11.482 1.00 0.00 H new ATOM 970 N ASN A 65 6.890 -5.006 -9.050 1.00 0.00 N ATOM 971 CA ASN A 65 7.976 -5.935 -8.708 1.00 0.00 C ATOM 972 C ASN A 65 8.999 -5.217 -7.830 1.00 0.00 C ATOM 973 O ASN A 65 9.225 -5.587 -6.678 1.00 0.00 O ATOM 974 CB ASN A 65 8.674 -6.473 -9.965 1.00 0.00 C ATOM 975 CG ASN A 65 8.178 -7.850 -10.362 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.118 -8.762 -9.538 1.00 0.00 O ATOM 977 ND2 ASN A 65 7.819 -8.007 -11.631 1.00 0.00 N ATOM 0 H ASN A 65 6.756 -4.265 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 65 7.543 -6.780 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.512 -5.780 -10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.749 -6.514 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.477 -8.911 -11.956 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.885 -7.223 -12.280 1.00 0.00 H new ATOM 984 N VAL A 66 9.595 -4.169 -8.394 1.00 0.00 N ATOM 985 CA VAL A 66 10.584 -3.345 -7.700 1.00 0.00 C ATOM 986 C VAL A 66 11.612 -4.177 -6.922 1.00 0.00 C ATOM 987 O VAL A 66 12.546 -4.701 -7.528 1.00 0.00 O ATOM 988 CB VAL A 66 9.916 -2.290 -6.794 1.00 0.00 C ATOM 989 CG1 VAL A 66 10.627 -0.956 -6.931 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.447 -2.127 -7.134 1.00 0.00 C ATOM 0 H VAL A 66 9.405 -3.866 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 66 11.135 -2.816 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 66 9.993 -2.636 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.146 -0.220 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.671 -1.068 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.575 -0.621 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.003 -1.377 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.347 -1.808 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.934 -3.079 -6.996 1.00 0.00 H new ATOM 1000 N VAL A 67 11.462 -4.306 -5.594 1.00 0.00 N ATOM 1001 CA VAL A 67 12.410 -5.075 -4.793 1.00 0.00 C ATOM 1002 C VAL A 67 12.181 -4.798 -3.316 1.00 0.00 C ATOM 1003 O VAL A 67 12.452 -3.707 -2.815 1.00 0.00 O ATOM 1004 CB VAL A 67 13.893 -4.788 -5.170 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.539 -3.765 -4.243 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.689 -6.083 -5.166 1.00 0.00 C ATOM 0 H VAL A 67 10.698 -3.889 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 67 12.230 -6.129 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 67 13.899 -4.359 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.572 -3.599 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.989 -2.825 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.518 -4.138 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.725 -5.874 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.651 -6.530 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.262 -6.775 -5.892 1.00 0.00 H new ATOM 1016 N LEU A 68 11.633 -5.780 -2.638 1.00 0.00 N ATOM 1017 CA LEU A 68 11.318 -5.642 -1.228 1.00 0.00 C ATOM 1018 C LEU A 68 12.214 -6.494 -0.338 1.00 0.00 C ATOM 1019 O LEU A 68 12.141 -7.720 -0.347 1.00 0.00 O ATOM 1020 CB LEU A 68 9.847 -5.998 -0.998 1.00 0.00 C ATOM 1021 CG LEU A 68 8.932 -5.754 -2.198 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.638 -7.061 -2.920 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.643 -5.079 -1.758 1.00 0.00 C ATOM 0 H LEU A 68 11.394 -6.687 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 68 11.500 -4.604 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.782 -7.049 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.476 -5.419 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 68 9.445 -5.089 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.985 -6.868 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.572 -7.501 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.146 -7.752 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.004 -4.913 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.124 -5.717 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.875 -4.122 -1.290 1.00 0.00 H new ATOM 1035 N THR A 69 13.048 -5.822 0.449 1.00 0.00 N ATOM 1036 CA THR A 69 13.955 -6.500 1.366 1.00 0.00 C ATOM 1037 C THR A 69 13.245 -6.853 2.666 1.00 0.00 C ATOM 1038 O THR A 69 12.067 -6.549 2.841 1.00 0.00 O ATOM 1039 CB THR A 69 15.170 -5.616 1.655 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.837 -4.592 2.576 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.735 -4.954 0.417 1.00 0.00 C ATOM 0 H THR A 69 13.114 -4.804 0.469 1.00 0.00 H new ATOM 0 HA THR A 69 14.291 -7.424 0.895 1.00 0.00 H new ATOM 0 HB THR A 69 15.925 -6.286 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.627 -4.038 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.594 -4.342 0.692 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.047 -5.719 -0.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.972 -4.324 -0.039 1.00 0.00 H new ATOM 1049 N GLN A 70 13.972 -7.503 3.574 1.00 0.00 N ATOM 1050 CA GLN A 70 13.414 -7.911 4.868 1.00 0.00 C ATOM 1051 C GLN A 70 12.520 -6.822 5.463 1.00 0.00 C ATOM 1052 O GLN A 70 11.553 -7.117 6.165 1.00 0.00 O ATOM 1053 CB GLN A 70 14.524 -8.275 5.873 1.00 0.00 C ATOM 1054 CG GLN A 70 15.937 -7.900 5.439 1.00 0.00 C ATOM 1055 CD GLN A 70 16.084 -6.427 5.112 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.374 -5.583 5.658 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.011 -6.111 4.214 1.00 0.00 N ATOM 0 H GLN A 70 14.950 -7.760 3.440 1.00 0.00 H new ATOM 0 HA GLN A 70 12.807 -8.797 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.309 -7.783 6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.490 -9.349 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.637 -8.162 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.211 -8.490 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.577 -6.844 3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.156 -5.136 3.952 1.00 0.00 H new ATOM 1066 N GLU A 71 12.842 -5.565 5.171 1.00 0.00 N ATOM 1067 CA GLU A 71 12.062 -4.443 5.675 1.00 0.00 C ATOM 1068 C GLU A 71 10.689 -4.413 5.017 1.00 0.00 C ATOM 1069 O GLU A 71 9.662 -4.467 5.693 1.00 0.00 O ATOM 1070 CB GLU A 71 12.798 -3.125 5.418 1.00 0.00 C ATOM 1071 CG GLU A 71 13.229 -2.412 6.689 1.00 0.00 C ATOM 1072 CD GLU A 71 12.065 -1.780 7.426 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.654 -0.666 7.041 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.565 -2.400 8.388 1.00 0.00 O ATOM 0 H GLU A 71 13.637 -5.300 4.589 1.00 0.00 H new ATOM 0 HA GLU A 71 11.932 -4.568 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.678 -3.323 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.151 -2.464 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.729 -3.122 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.958 -1.641 6.439 1.00 0.00 H new ATOM 1081 N ASP A 72 10.683 -4.334 3.691 1.00 0.00 N ATOM 1082 CA ASP A 72 9.440 -4.303 2.937 1.00 0.00 C ATOM 1083 C ASP A 72 8.731 -5.654 3.008 1.00 0.00 C ATOM 1084 O ASP A 72 7.510 -5.719 3.147 1.00 0.00 O ATOM 1085 CB ASP A 72 9.712 -3.913 1.490 1.00 0.00 C ATOM 1086 CG ASP A 72 10.074 -2.450 1.352 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.414 -1.617 2.005 1.00 0.00 O ATOM 1088 OD2 ASP A 72 11.016 -2.139 0.593 1.00 0.00 O ATOM 0 H ASP A 72 11.526 -4.290 3.118 1.00 0.00 H new ATOM 0 HA ASP A 72 8.784 -3.554 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.523 -4.525 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.830 -4.126 0.886 1.00 0.00 H new ATOM 1093 N THR A 73 9.505 -6.734 2.933 1.00 0.00 N ATOM 1094 CA THR A 73 8.943 -8.079 3.014 1.00 0.00 C ATOM 1095 C THR A 73 8.257 -8.267 4.363 1.00 0.00 C ATOM 1096 O THR A 73 7.151 -8.816 4.451 1.00 0.00 O ATOM 1097 CB THR A 73 10.039 -9.130 2.830 1.00 0.00 C ATOM 1098 OG1 THR A 73 10.723 -8.933 1.605 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.514 -10.550 2.839 1.00 0.00 C ATOM 0 H THR A 73 10.518 -6.704 2.817 1.00 0.00 H new ATOM 0 HA THR A 73 8.210 -8.204 2.217 1.00 0.00 H new ATOM 0 HB THR A 73 10.708 -9.001 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.902 -9.801 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.343 -11.245 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.024 -10.751 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.797 -10.678 2.028 1.00 0.00 H new ATOM 1107 N ALA A 74 8.903 -7.759 5.409 1.00 0.00 N ATOM 1108 CA ALA A 74 8.347 -7.820 6.749 1.00 0.00 C ATOM 1109 C ALA A 74 7.180 -6.861 6.813 1.00 0.00 C ATOM 1110 O ALA A 74 6.199 -7.085 7.518 1.00 0.00 O ATOM 1111 CB ALA A 74 9.398 -7.469 7.792 1.00 0.00 C ATOM 0 H ALA A 74 9.812 -7.301 5.350 1.00 0.00 H new ATOM 0 HA ALA A 74 8.010 -8.833 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.955 -7.522 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.227 -8.174 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.766 -6.459 7.612 1.00 0.00 H new ATOM 1117 N LYS A 75 7.298 -5.804 6.022 1.00 0.00 N ATOM 1118 CA LYS A 75 6.271 -4.793 5.905 1.00 0.00 C ATOM 1119 C LYS A 75 4.947 -5.455 5.524 1.00 0.00 C ATOM 1120 O LYS A 75 3.918 -5.233 6.164 1.00 0.00 O ATOM 1121 CB LYS A 75 6.704 -3.795 4.832 1.00 0.00 C ATOM 1122 CG LYS A 75 6.375 -2.347 5.135 1.00 0.00 C ATOM 1123 CD LYS A 75 7.472 -1.682 5.949 1.00 0.00 C ATOM 1124 CE LYS A 75 8.218 -0.636 5.136 1.00 0.00 C ATOM 1125 NZ LYS A 75 9.373 -0.068 5.885 1.00 0.00 N ATOM 0 H LYS A 75 8.118 -5.628 5.441 1.00 0.00 H new ATOM 0 HA LYS A 75 6.132 -4.272 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.781 -3.885 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.231 -4.070 3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.233 -1.803 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.433 -2.294 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.037 -1.215 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.174 -2.438 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.573 -1.083 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.533 0.167 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.813 0.688 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.042 0.322 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.072 -0.817 6.065 1.00 0.00 H new ATOM 1139 N LEU A 76 4.994 -6.287 4.481 1.00 0.00 N ATOM 1140 CA LEU A 76 3.811 -7.002 4.016 1.00 0.00 C ATOM 1141 C LEU A 76 3.365 -8.025 5.053 1.00 0.00 C ATOM 1142 O LEU A 76 2.222 -7.994 5.523 1.00 0.00 O ATOM 1143 CB LEU A 76 4.084 -7.702 2.685 1.00 0.00 C ATOM 1144 CG LEU A 76 4.277 -6.760 1.495 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.549 -7.104 0.737 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.068 -6.815 0.573 1.00 0.00 C ATOM 0 H LEU A 76 5.840 -6.480 3.945 1.00 0.00 H new ATOM 0 HA LEU A 76 3.015 -6.272 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.976 -8.319 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.255 -8.375 2.467 1.00 0.00 H new ATOM 0 HG LEU A 76 4.374 -5.743 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.667 -6.422 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.406 -7.009 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.487 -8.128 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.221 -6.139 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.939 -7.832 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.177 -6.513 1.123 1.00 0.00 H new ATOM 1158 N LEU A 77 4.272 -8.932 5.417 1.00 0.00 N ATOM 1159 CA LEU A 77 3.952 -9.955 6.406 1.00 0.00 C ATOM 1160 C LEU A 77 3.435 -9.312 7.692 1.00 0.00 C ATOM 1161 O LEU A 77 2.663 -9.919 8.431 1.00 0.00 O ATOM 1162 CB LEU A 77 5.171 -10.852 6.684 1.00 0.00 C ATOM 1163 CG LEU A 77 6.117 -10.386 7.796 1.00 0.00 C ATOM 1164 CD1 LEU A 77 5.542 -10.714 9.165 1.00 0.00 C ATOM 1165 CD2 LEU A 77 7.484 -11.033 7.628 1.00 0.00 C ATOM 0 H LEU A 77 5.221 -8.978 5.046 1.00 0.00 H new ATOM 0 HA LEU A 77 3.162 -10.588 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.811 -11.850 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.745 -10.944 5.762 1.00 0.00 H new ATOM 0 HG LEU A 77 6.228 -9.304 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.230 -10.374 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.582 -10.212 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.401 -11.791 9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.147 -10.694 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.382 -12.117 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.903 -10.752 6.662 1.00 0.00 H new ATOM 1177 N GLN A 78 3.855 -8.073 7.941 1.00 0.00 N ATOM 1178 CA GLN A 78 3.422 -7.341 9.126 1.00 0.00 C ATOM 1179 C GLN A 78 1.969 -6.914 8.979 1.00 0.00 C ATOM 1180 O GLN A 78 1.131 -7.220 9.827 1.00 0.00 O ATOM 1181 CB GLN A 78 4.305 -6.112 9.356 1.00 0.00 C ATOM 1182 CG GLN A 78 5.477 -6.371 10.289 1.00 0.00 C ATOM 1183 CD GLN A 78 5.971 -5.109 10.967 1.00 0.00 C ATOM 1184 OE1 GLN A 78 5.187 -4.217 11.292 1.00 0.00 O ATOM 1185 NE2 GLN A 78 7.279 -5.027 11.185 1.00 0.00 N ATOM 0 H GLN A 78 4.495 -7.556 7.337 1.00 0.00 H new ATOM 0 HA GLN A 78 3.514 -8.002 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.686 -5.764 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.695 -5.308 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.180 -7.094 11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.294 -6.820 9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.892 -5.790 10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.670 -4.201 11.638 1.00 0.00 H new ATOM 1194 N SER A 79 1.674 -6.210 7.890 1.00 0.00 N ATOM 1195 CA SER A 79 0.315 -5.749 7.627 1.00 0.00 C ATOM 1196 C SER A 79 -0.671 -6.909 7.703 1.00 0.00 C ATOM 1197 O SER A 79 -1.805 -6.748 8.154 1.00 0.00 O ATOM 1198 CB SER A 79 0.232 -5.088 6.249 1.00 0.00 C ATOM 1199 OG SER A 79 1.500 -5.065 5.616 1.00 0.00 O ATOM 0 H SER A 79 2.355 -5.947 7.178 1.00 0.00 H new ATOM 0 HA SER A 79 0.053 -5.015 8.389 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.479 -5.629 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.145 -4.070 6.353 1.00 0.00 H new ATOM 0 HG SER A 79 2.165 -4.686 6.229 1.00 0.00 H new ATOM 1205 N THR A 80 -0.231 -8.078 7.247 1.00 0.00 N ATOM 1206 CA THR A 80 -1.077 -9.267 7.253 1.00 0.00 C ATOM 1207 C THR A 80 -1.162 -9.896 8.644 1.00 0.00 C ATOM 1208 O THR A 80 -2.240 -9.975 9.232 1.00 0.00 O ATOM 1209 CB THR A 80 -0.548 -10.288 6.248 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.506 -9.729 4.948 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.381 -11.549 6.178 1.00 0.00 C ATOM 0 H THR A 80 0.705 -8.227 6.869 1.00 0.00 H new ATOM 0 HA THR A 80 -2.083 -8.961 6.967 1.00 0.00 H new ATOM 0 HB THR A 80 0.449 -10.552 6.600 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.348 -9.266 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.949 -12.230 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.396 -12.030 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.399 -11.296 5.882 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.024 -10.357 9.159 1.00 0.00 N ATOM 1220 CA VAL A 81 0.020 -10.994 10.475 1.00 0.00 C ATOM 1221 C VAL A 81 -0.665 -10.143 11.541 1.00 0.00 C ATOM 1222 O VAL A 81 -1.292 -10.671 12.459 1.00 0.00 O ATOM 1223 CB VAL A 81 1.468 -11.281 10.918 1.00 0.00 C ATOM 1224 CG1 VAL A 81 2.158 -12.202 9.924 1.00 0.00 C ATOM 1225 CG2 VAL A 81 2.248 -9.985 11.087 1.00 0.00 C ATOM 0 H VAL A 81 0.878 -10.302 8.687 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.518 -11.937 10.374 1.00 0.00 H new ATOM 0 HB VAL A 81 1.437 -11.784 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.179 -12.393 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.614 -13.144 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.176 -11.729 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.267 -10.212 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.271 -9.448 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.766 -9.366 11.843 1.00 0.00 H new ATOM 1235 N LYS A 82 -0.538 -8.825 11.418 1.00 0.00 N ATOM 1236 CA LYS A 82 -1.143 -7.905 12.378 1.00 0.00 C ATOM 1237 C LYS A 82 -2.619 -8.227 12.593 1.00 0.00 C ATOM 1238 O LYS A 82 -3.012 -8.702 13.659 1.00 0.00 O ATOM 1239 CB LYS A 82 -0.988 -6.461 11.898 1.00 0.00 C ATOM 1240 CG LYS A 82 0.406 -5.895 12.116 1.00 0.00 C ATOM 1241 CD LYS A 82 0.512 -5.166 13.448 1.00 0.00 C ATOM 1242 CE LYS A 82 0.961 -3.726 13.262 1.00 0.00 C ATOM 1243 NZ LYS A 82 2.315 -3.641 12.646 1.00 0.00 N ATOM 0 H LYS A 82 -0.023 -8.370 10.665 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.625 -8.023 13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.229 -6.412 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.712 -5.834 12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.137 -6.703 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.652 -5.210 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.454 -5.184 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.218 -5.688 14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.243 -3.200 12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.969 -3.221 14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.719 -2.700 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.932 -4.367 13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.240 -3.796 11.620 1.00 0.00 H new ATOM 1257 N HIS A 83 -3.432 -7.966 11.575 1.00 0.00 N ATOM 1258 CA HIS A 83 -4.864 -8.229 11.654 1.00 0.00 C ATOM 1259 C HIS A 83 -5.530 -8.028 10.296 1.00 0.00 C ATOM 1260 O HIS A 83 -6.584 -7.400 10.195 1.00 0.00 O ATOM 1261 CB HIS A 83 -5.515 -7.319 12.699 1.00 0.00 C ATOM 1262 CG HIS A 83 -5.440 -5.863 12.358 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -6.488 -4.988 12.553 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -4.431 -5.126 11.833 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -6.129 -3.778 12.162 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -4.886 -3.835 11.722 1.00 0.00 N ATOM 0 H HIS A 83 -3.124 -7.573 10.686 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.002 -9.268 11.954 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.561 -7.603 12.814 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.032 -7.483 13.662 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.452 -5.487 11.554 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.747 -2.893 12.197 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.350 -3.047 11.358 1.00 0.00 H new ATOM 1275 N ASN A 84 -4.907 -8.567 9.253 1.00 0.00 N ATOM 1276 CA ASN A 84 -5.439 -8.449 7.901 1.00 0.00 C ATOM 1277 C ASN A 84 -5.325 -9.774 7.154 1.00 0.00 C ATOM 1278 O ASN A 84 -4.668 -10.705 7.619 1.00 0.00 O ATOM 1279 CB ASN A 84 -4.698 -7.352 7.133 1.00 0.00 C ATOM 1280 CG ASN A 84 -4.788 -6.004 7.820 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -5.743 -5.726 8.546 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -3.791 -5.156 7.592 1.00 0.00 N ATOM 0 H ASN A 84 -4.033 -9.090 9.319 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.494 -8.183 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.650 -7.632 7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.112 -7.273 6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.797 -4.233 8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.019 -5.428 6.983 1.00 0.00 H new ATOM 1289 N LEU A 85 -5.968 -9.851 5.993 1.00 0.00 N ATOM 1290 CA LEU A 85 -5.937 -11.062 5.181 1.00 0.00 C ATOM 1291 C LEU A 85 -4.741 -11.047 4.234 1.00 0.00 C ATOM 1292 O LEU A 85 -4.025 -10.050 4.141 1.00 0.00 O ATOM 1293 CB LEU A 85 -7.234 -11.198 4.381 1.00 0.00 C ATOM 1294 CG LEU A 85 -8.374 -11.910 5.111 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -7.940 -13.299 5.552 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -8.835 -11.090 6.306 1.00 0.00 C ATOM 0 H LEU A 85 -6.517 -9.089 5.594 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.840 -11.918 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.572 -10.202 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.019 -11.739 3.459 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.212 -12.015 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.764 -13.790 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.658 -13.887 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.086 -13.217 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.646 -11.611 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.003 -10.954 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.187 -10.116 5.965 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.530 -12.157 3.532 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.419 -12.263 2.593 1.00 0.00 C ATOM 1310 C ASN A 86 -3.535 -11.200 1.501 1.00 0.00 C ATOM 1311 O ASN A 86 -3.009 -10.097 1.646 1.00 0.00 O ATOM 1312 CB ASN A 86 -3.372 -13.664 1.977 1.00 0.00 C ATOM 1313 CG ASN A 86 -2.591 -14.643 2.831 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -3.149 -15.602 3.364 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.291 -14.406 2.964 1.00 0.00 N ATOM 0 H ASN A 86 -5.112 -12.992 3.596 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.490 -12.094 3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.389 -14.033 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.920 -13.608 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.713 -15.031 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.870 -13.599 2.504 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.230 -11.531 0.412 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.425 -10.600 -0.702 1.00 0.00 C ATOM 1324 C ASN A 87 -3.144 -10.399 -1.519 1.00 0.00 C ATOM 1325 O ASN A 87 -3.183 -10.342 -2.755 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.929 -9.246 -0.192 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.283 -8.298 -1.321 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -6.038 -8.791 -2.296 1.00 0.00 O flip ATOM 1329 ND2 ASN A 87 -4.883 -7.134 -1.317 1.00 0.00 N flip ATOM 0 H ASN A 87 -4.670 -12.441 0.277 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.174 -11.044 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.806 -9.401 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.164 -8.789 0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.305 -6.796 -0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.130 -6.507 -2.083 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.011 -10.259 -0.838 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.755 -10.034 -1.525 1.00 0.00 C ATOM 1338 C TYR A 88 0.038 -11.321 -1.722 1.00 0.00 C ATOM 1339 O TYR A 88 -0.173 -12.314 -1.025 1.00 0.00 O ATOM 1340 CB TYR A 88 0.093 -9.027 -0.738 1.00 0.00 C ATOM 1341 CG TYR A 88 0.890 -9.662 0.384 1.00 0.00 C ATOM 1342 CD1 TYR A 88 0.271 -10.064 1.560 1.00 0.00 C ATOM 1343 CD2 TYR A 88 2.258 -9.873 0.258 1.00 0.00 C ATOM 1344 CE1 TYR A 88 0.992 -10.655 2.580 1.00 0.00 C ATOM 1345 CE2 TYR A 88 2.985 -10.466 1.274 1.00 0.00 C ATOM 1346 CZ TYR A 88 2.347 -10.854 2.431 1.00 0.00 C ATOM 1347 OH TYR A 88 3.068 -11.444 3.444 1.00 0.00 O ATOM 0 H TYR A 88 -1.942 -10.298 0.179 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.993 -9.639 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.778 -8.526 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.560 -8.260 -0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.792 -9.912 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.761 -9.569 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.496 -10.959 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.047 -10.624 1.161 1.00 0.00 H new ATOM 0 HH TYR A 88 4.009 -11.512 3.179 1.00 0.00 H new ATOM 1357 N ASP A 89 0.971 -11.275 -2.667 1.00 0.00 N ATOM 1358 CA ASP A 89 1.830 -12.396 -2.961 1.00 0.00 C ATOM 1359 C ASP A 89 3.273 -11.879 -3.023 1.00 0.00 C ATOM 1360 O ASP A 89 3.533 -10.765 -3.492 1.00 0.00 O ATOM 1361 CB ASP A 89 1.358 -13.050 -4.265 1.00 0.00 C ATOM 1362 CG ASP A 89 2.468 -13.693 -5.081 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.500 -14.077 -4.492 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.295 -13.828 -6.311 1.00 0.00 O ATOM 0 H ASP A 89 1.146 -10.454 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 89 1.788 -13.166 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.612 -13.808 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.863 -12.296 -4.877 1.00 0.00 H new ATOM 1369 N LEU A 90 4.198 -12.655 -2.500 1.00 0.00 N ATOM 1370 CA LEU A 90 5.597 -12.220 -2.450 1.00 0.00 C ATOM 1371 C LEU A 90 6.585 -13.295 -2.905 1.00 0.00 C ATOM 1372 O LEU A 90 6.317 -14.493 -2.816 1.00 0.00 O ATOM 1373 CB LEU A 90 5.949 -11.790 -1.017 1.00 0.00 C ATOM 1374 CG LEU A 90 5.734 -10.306 -0.679 1.00 0.00 C ATOM 1375 CD1 LEU A 90 6.395 -9.967 0.650 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.280 -9.415 -1.785 1.00 0.00 C ATOM 0 H LEU A 90 4.021 -13.579 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 90 5.689 -11.386 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.356 -12.388 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.995 -12.035 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 90 4.662 -10.125 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.235 -8.913 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.959 -10.579 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.465 -10.166 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.117 -8.369 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.348 -9.597 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.767 -9.640 -2.720 1.00 0.00 H new ATOM 1388 N ARG A 91 7.749 -12.831 -3.366 1.00 0.00 N ATOM 1389 CA ARG A 91 8.831 -13.708 -3.815 1.00 0.00 C ATOM 1390 C ARG A 91 10.170 -13.140 -3.344 1.00 0.00 C ATOM 1391 O ARG A 91 10.302 -11.932 -3.189 1.00 0.00 O ATOM 1392 CB ARG A 91 8.820 -13.840 -5.339 1.00 0.00 C ATOM 1393 CG ARG A 91 8.072 -15.068 -5.837 1.00 0.00 C ATOM 1394 CD ARG A 91 8.886 -15.845 -6.861 1.00 0.00 C ATOM 1395 NE ARG A 91 10.139 -16.349 -6.299 1.00 0.00 N ATOM 1396 CZ ARG A 91 11.325 -15.768 -6.475 1.00 0.00 C ATOM 1397 NH1 ARG A 91 11.435 -14.652 -7.188 1.00 0.00 N ATOM 1398 NH2 ARG A 91 12.409 -16.304 -5.931 1.00 0.00 N ATOM 0 H ARG A 91 7.967 -11.837 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 91 8.686 -14.700 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.365 -12.948 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.848 -13.879 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.834 -15.716 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.125 -14.762 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.295 -16.681 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.104 -15.202 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 91 10.102 -17.199 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.606 -14.231 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.348 -14.216 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.333 -17.159 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.318 -15.862 -6.064 1.00 0.00 H new ATOM 1412 N SER A 92 11.158 -13.998 -3.100 1.00 0.00 N ATOM 1413 CA SER A 92 12.463 -13.527 -2.625 1.00 0.00 C ATOM 1414 C SER A 92 13.519 -13.547 -3.708 1.00 0.00 C ATOM 1415 O SER A 92 13.398 -14.238 -4.717 1.00 0.00 O ATOM 1416 CB SER A 92 12.938 -14.347 -1.430 1.00 0.00 C ATOM 1417 OG SER A 92 12.911 -15.735 -1.716 1.00 0.00 O ATOM 0 H SER A 92 11.086 -15.008 -3.220 1.00 0.00 H new ATOM 0 HA SER A 92 12.321 -12.490 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.951 -14.048 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.304 -14.139 -0.568 1.00 0.00 H new ATOM 0 HG SER A 92 13.222 -16.236 -0.933 1.00 0.00 H new ATOM 1423 N VAL A 93 14.553 -12.752 -3.464 1.00 0.00 N ATOM 1424 CA VAL A 93 15.670 -12.596 -4.353 1.00 0.00 C ATOM 1425 C VAL A 93 16.448 -11.366 -3.925 1.00 0.00 C ATOM 1426 O VAL A 93 15.903 -10.423 -3.360 1.00 0.00 O ATOM 1427 CB VAL A 93 15.256 -12.435 -5.835 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.254 -13.781 -6.546 1.00 0.00 C ATOM 1429 CG2 VAL A 93 13.900 -11.751 -5.957 1.00 0.00 C ATOM 0 H VAL A 93 14.629 -12.188 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 93 16.270 -13.504 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 93 15.994 -11.797 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.960 -13.642 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.253 -14.215 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.548 -14.451 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.636 -11.652 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.144 -12.349 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.949 -10.762 -5.501 1.00 0.00 H new ATOM 1439 N GLY A 94 17.716 -11.387 -4.176 1.00 0.00 N ATOM 1440 CA GLY A 94 18.547 -10.259 -3.810 1.00 0.00 C ATOM 1441 C GLY A 94 19.267 -10.448 -2.498 1.00 0.00 C ATOM 1442 O GLY A 94 19.514 -9.475 -1.786 1.00 0.00 O ATOM 0 H GLY A 94 18.207 -12.159 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 94 19.281 -10.087 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.927 -9.364 -3.751 1.00 0.00 H new ATOM 1446 N ASN A 95 19.591 -11.697 -2.159 1.00 0.00 N ATOM 1447 CA ASN A 95 20.268 -11.991 -0.906 1.00 0.00 C ATOM 1448 C ASN A 95 19.661 -11.165 0.225 1.00 0.00 C ATOM 1449 O ASN A 95 20.334 -10.812 1.193 1.00 0.00 O ATOM 1450 CB ASN A 95 21.761 -11.706 -1.038 1.00 0.00 C ATOM 1451 CG ASN A 95 22.066 -10.234 -1.255 1.00 0.00 C ATOM 1452 OD1 ASN A 95 22.393 -9.816 -2.366 1.00 0.00 O ATOM 1453 ND2 ASN A 95 21.959 -9.439 -0.195 1.00 0.00 N ATOM 0 H ASN A 95 19.394 -12.515 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 95 20.137 -13.047 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 95 22.272 -12.049 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 95 22.163 -12.282 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 95 22.151 -8.441 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.685 -9.827 0.708 1.00 0.00 H new ATOM 1460 N GLY A 96 18.377 -10.853 0.074 1.00 0.00 N ATOM 1461 CA GLY A 96 17.680 -10.061 1.057 1.00 0.00 C ATOM 1462 C GLY A 96 16.706 -9.074 0.433 1.00 0.00 C ATOM 1463 O GLY A 96 16.339 -8.089 1.070 1.00 0.00 O ATOM 0 H GLY A 96 17.807 -11.141 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.137 -10.723 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.406 -9.516 1.660 1.00 0.00 H new ATOM 1467 N ASN A 97 16.250 -9.345 -0.798 1.00 0.00 N ATOM 1468 CA ASN A 97 15.294 -8.499 -1.460 1.00 0.00 C ATOM 1469 C ASN A 97 14.168 -9.388 -1.919 1.00 0.00 C ATOM 1470 O ASN A 97 14.285 -10.614 -1.863 1.00 0.00 O ATOM 1471 CB ASN A 97 15.876 -7.719 -2.635 1.00 0.00 C ATOM 1472 CG ASN A 97 17.348 -7.380 -2.469 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.733 -6.981 -1.262 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 18.126 -7.451 -3.420 1.00 0.00 N flip ATOM 0 H ASN A 97 16.542 -10.155 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 97 14.953 -7.737 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.746 -8.301 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.311 -6.796 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.790 -7.762 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.107 -7.198 -3.297 1.00 0.00 H new ATOM 1481 N SER A 98 13.071 -8.816 -2.327 1.00 0.00 N ATOM 1482 CA SER A 98 11.962 -9.632 -2.737 1.00 0.00 C ATOM 1483 C SER A 98 11.165 -8.967 -3.844 1.00 0.00 C ATOM 1484 O SER A 98 11.232 -7.759 -4.036 1.00 0.00 O ATOM 1485 CB SER A 98 11.098 -9.913 -1.515 1.00 0.00 C ATOM 1486 OG SER A 98 11.902 -10.229 -0.391 1.00 0.00 O ATOM 0 H SER A 98 12.920 -7.809 -2.385 1.00 0.00 H new ATOM 0 HA SER A 98 12.329 -10.573 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.481 -9.043 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.420 -10.740 -1.726 1.00 0.00 H new ATOM 0 HG SER A 98 12.233 -9.402 0.017 1.00 0.00 H new ATOM 1492 N VAL A 99 10.406 -9.765 -4.566 1.00 0.00 N ATOM 1493 CA VAL A 99 9.589 -9.255 -5.646 1.00 0.00 C ATOM 1494 C VAL A 99 8.150 -9.201 -5.172 1.00 0.00 C ATOM 1495 O VAL A 99 7.698 -10.093 -4.446 1.00 0.00 O ATOM 1496 CB VAL A 99 9.723 -10.136 -6.915 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.364 -10.540 -7.476 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.546 -9.418 -7.974 1.00 0.00 C ATOM 0 H VAL A 99 10.338 -10.773 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 99 9.926 -8.255 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 99 10.239 -11.051 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.505 -11.156 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.814 -11.107 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.799 -9.646 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.631 -10.049 -8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.057 -8.482 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.541 -9.208 -7.581 1.00 0.00 H new ATOM 1508 N LEU A 100 7.438 -8.147 -5.549 1.00 0.00 N ATOM 1509 CA LEU A 100 6.068 -7.998 -5.108 1.00 0.00 C ATOM 1510 C LEU A 100 5.067 -8.333 -6.182 1.00 0.00 C ATOM 1511 O LEU A 100 4.860 -7.579 -7.133 1.00 0.00 O ATOM 1512 CB LEU A 100 5.785 -6.596 -4.616 1.00 0.00 C ATOM 1513 CG LEU A 100 4.540 -6.437 -3.716 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.542 -7.578 -3.899 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.960 -6.333 -2.260 1.00 0.00 C ATOM 0 H LEU A 100 7.783 -7.398 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 100 5.956 -8.709 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.656 -6.242 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.670 -5.944 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 100 4.036 -5.519 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.685 -7.420 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.207 -7.605 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.021 -8.524 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.075 -6.221 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.498 -7.236 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.609 -5.467 -2.129 1.00 0.00 H new ATOM 1527 N VAL A 101 4.383 -9.429 -5.952 1.00 0.00 N ATOM 1528 CA VAL A 101 3.312 -9.853 -6.808 1.00 0.00 C ATOM 1529 C VAL A 101 2.128 -9.982 -5.883 1.00 0.00 C ATOM 1530 O VAL A 101 2.063 -10.890 -5.077 1.00 0.00 O ATOM 1531 CB VAL A 101 3.592 -11.196 -7.518 1.00 0.00 C ATOM 1532 CG1 VAL A 101 3.183 -11.119 -8.980 1.00 0.00 C ATOM 1533 CG2 VAL A 101 5.059 -11.590 -7.392 1.00 0.00 C ATOM 0 H VAL A 101 4.558 -10.050 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 101 3.158 -9.141 -7.618 1.00 0.00 H new ATOM 0 HB VAL A 101 2.996 -11.966 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.387 -12.073 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.118 -10.897 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.750 -10.331 -9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.226 -12.539 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.683 -10.820 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.319 -11.693 -6.338 1.00 0.00 H new ATOM 1543 N SER A 102 1.236 -9.032 -5.923 1.00 0.00 N ATOM 1544 CA SER A 102 0.130 -9.052 -4.998 1.00 0.00 C ATOM 1545 C SER A 102 -1.149 -8.627 -5.643 1.00 0.00 C ATOM 1546 O SER A 102 -1.170 -7.696 -6.444 1.00 0.00 O ATOM 1547 CB SER A 102 0.434 -8.128 -3.820 1.00 0.00 C ATOM 1548 OG SER A 102 0.913 -6.872 -4.271 1.00 0.00 O ATOM 0 H SER A 102 1.248 -8.246 -6.573 1.00 0.00 H new ATOM 0 HA SER A 102 0.005 -10.079 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.467 -7.985 -3.223 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.176 -8.593 -3.171 1.00 0.00 H new ATOM 0 HG SER A 102 0.963 -6.250 -3.515 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.219 -9.293 -5.240 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.548 -8.987 -5.713 1.00 0.00 C ATOM 1556 C LEU A 103 -4.417 -10.223 -5.784 1.00 0.00 C ATOM 1557 O LEU A 103 -4.664 -10.776 -6.856 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.566 -8.246 -7.060 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.856 -6.736 -6.978 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.339 -6.473 -7.195 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.405 -6.146 -5.639 1.00 0.00 C ATOM 0 H LEU A 103 -2.184 -10.063 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.965 -8.305 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.601 -8.388 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.317 -8.709 -7.700 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.285 -6.245 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.531 -5.402 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.633 -6.840 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.916 -6.989 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.626 -5.079 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.935 -6.642 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.332 -6.297 -5.518 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.916 -10.613 -4.628 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.812 -11.744 -4.514 1.00 0.00 C ATOM 1575 C ARG A 104 -7.247 -11.205 -4.461 1.00 0.00 C ATOM 1576 O ARG A 104 -8.138 -11.798 -3.855 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.453 -12.537 -3.256 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.965 -13.949 -3.532 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.758 -13.952 -4.459 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.501 -14.094 -3.723 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.173 -15.172 -3.015 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.002 -16.207 -2.946 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.012 -15.218 -2.376 1.00 0.00 N ATOM 0 H ARG A 104 -4.711 -10.153 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.722 -12.417 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.681 -11.998 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.328 -12.587 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.704 -14.435 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.770 -14.532 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.853 -14.768 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.739 -13.025 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.837 -13.321 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.895 -16.178 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.745 -17.031 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.370 -14.427 -2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.761 -16.044 -1.833 1.00 0.00 H new ATOM 1597 N SER A 105 -7.410 -10.037 -5.103 1.00 0.00 N ATOM 1598 CA SER A 105 -8.660 -9.281 -5.193 1.00 0.00 C ATOM 1599 C SER A 105 -8.284 -7.800 -5.268 1.00 0.00 C ATOM 1600 O SER A 105 -7.095 -7.478 -5.248 1.00 0.00 O ATOM 1601 CB SER A 105 -9.583 -9.550 -4.002 1.00 0.00 C ATOM 1602 OG SER A 105 -10.274 -10.778 -4.158 1.00 0.00 O ATOM 0 H SER A 105 -6.641 -9.579 -5.592 1.00 0.00 H new ATOM 0 HA SER A 105 -9.216 -9.590 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.998 -9.573 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.301 -8.736 -3.903 1.00 0.00 H new ATOM 0 HG SER A 105 -9.710 -11.513 -3.839 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.251 -6.891 -5.373 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.908 -5.479 -5.468 1.00 0.00 C ATOM 1610 C ASP A 106 -9.160 -4.743 -4.157 1.00 0.00 C ATOM 1611 O ASP A 106 -10.291 -4.373 -3.841 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.722 -4.821 -6.586 1.00 0.00 C ATOM 1613 CG ASP A 106 -10.555 -5.806 -7.386 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -9.964 -6.713 -8.010 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -11.796 -5.669 -7.390 1.00 0.00 O ATOM 0 H ASP A 106 -10.249 -7.100 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.843 -5.414 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.380 -4.069 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.043 -4.299 -7.260 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.081 -4.510 -3.417 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.147 -3.790 -2.156 1.00 0.00 C ATOM 1622 C GLN A 107 -6.741 -3.449 -1.666 1.00 0.00 C ATOM 1623 O GLN A 107 -5.762 -4.023 -2.141 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.904 -4.611 -1.124 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.258 -4.018 -0.755 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.164 -4.994 -0.039 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.635 -6.159 0.281 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -12.321 -4.691 0.242 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.142 -4.814 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.686 -2.855 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.050 -5.620 -1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.296 -4.699 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.104 -3.145 -0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.754 -3.671 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.688 -3.778 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.914 -5.353 0.743 1.00 0.00 H new ATOM 1637 N MET A 108 -6.640 -2.542 -0.704 1.00 0.00 N ATOM 1638 CA MET A 108 -5.340 -2.170 -0.157 1.00 0.00 C ATOM 1639 C MET A 108 -5.470 -1.404 1.153 1.00 0.00 C ATOM 1640 O MET A 108 -6.367 -0.579 1.325 1.00 0.00 O ATOM 1641 CB MET A 108 -4.545 -1.338 -1.159 1.00 0.00 C ATOM 1642 CG MET A 108 -3.047 -1.584 -1.076 1.00 0.00 C ATOM 1643 SD MET A 108 -2.545 -3.093 -1.927 1.00 0.00 S ATOM 1644 CE MET A 108 -2.640 -4.282 -0.592 1.00 0.00 C ATOM 0 H MET A 108 -7.433 -2.054 -0.289 1.00 0.00 H new ATOM 0 HA MET A 108 -4.806 -3.099 0.044 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.890 -1.566 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.745 -0.281 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.518 -0.734 -1.508 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.750 -1.645 -0.029 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.695 -4.819 -0.515 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.839 -3.762 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.444 -4.990 -0.792 1.00 0.00 H new ATOM 1654 N THR A 109 -4.546 -1.681 2.065 1.00 0.00 N ATOM 1655 CA THR A 109 -4.513 -1.024 3.365 1.00 0.00 C ATOM 1656 C THR A 109 -3.389 0.007 3.392 1.00 0.00 C ATOM 1657 O THR A 109 -2.453 -0.072 2.596 1.00 0.00 O ATOM 1658 CB THR A 109 -4.316 -2.051 4.495 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.373 -1.587 5.446 1.00 0.00 O ATOM 1660 CG2 THR A 109 -3.838 -3.408 4.019 1.00 0.00 C ATOM 0 H THR A 109 -3.802 -2.364 1.925 1.00 0.00 H new ATOM 0 HA THR A 109 -5.468 -0.523 3.524 1.00 0.00 H new ATOM 0 HB THR A 109 -5.307 -2.166 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.811 -0.965 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.724 -4.074 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.567 -3.828 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.879 -3.299 3.513 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.473 0.969 4.311 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.440 1.998 4.428 1.00 0.00 C ATOM 1670 C LEU A 110 -1.056 1.354 4.394 1.00 0.00 C ATOM 1671 O LEU A 110 -0.202 1.708 3.574 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.598 2.785 5.737 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.051 4.241 5.599 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -2.029 5.059 4.837 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -4.398 4.316 4.929 1.00 0.00 C ATOM 0 H LEU A 110 -4.238 1.057 4.980 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.549 2.684 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.316 2.261 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.643 2.771 6.262 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.140 4.663 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.376 6.089 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.077 5.039 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.897 4.639 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.703 5.359 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.336 3.870 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.132 3.773 5.525 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.839 0.409 5.306 1.00 0.00 N ATOM 1688 CA GLN A 111 0.442 -0.277 5.399 1.00 0.00 C ATOM 1689 C GLN A 111 0.867 -0.866 4.059 1.00 0.00 C ATOM 1690 O GLN A 111 1.856 -0.432 3.468 1.00 0.00 O ATOM 1691 CB GLN A 111 0.380 -1.391 6.443 1.00 0.00 C ATOM 1692 CG GLN A 111 1.578 -2.322 6.386 1.00 0.00 C ATOM 1693 CD GLN A 111 2.892 -1.565 6.412 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.175 -0.769 5.524 1.00 0.00 O ATOM 1695 NE2 GLN A 111 3.696 -1.801 7.435 1.00 0.00 N ATOM 0 H GLN A 111 -1.533 0.103 5.988 1.00 0.00 H new ATOM 0 HA GLN A 111 1.181 0.466 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.318 -0.948 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.531 -1.970 6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.541 -3.012 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.525 -2.924 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 111 3.423 -2.471 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.589 -1.313 7.505 1.00 0.00 H new ATOM 1704 N ASP A 112 0.120 -1.859 3.590 1.00 0.00 N ATOM 1705 CA ASP A 112 0.427 -2.512 2.319 1.00 0.00 C ATOM 1706 C ASP A 112 0.763 -1.478 1.247 1.00 0.00 C ATOM 1707 O ASP A 112 1.656 -1.677 0.413 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.751 -3.375 1.862 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.715 -4.767 2.462 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.325 -5.445 2.327 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -1.728 -5.179 3.066 1.00 0.00 O ATOM 0 H ASP A 112 -0.701 -2.230 4.068 1.00 0.00 H new ATOM 0 HA ASP A 112 1.296 -3.153 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.685 -2.887 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.742 -3.451 0.775 1.00 0.00 H new ATOM 1716 N ALA A 113 0.056 -0.362 1.283 1.00 0.00 N ATOM 1717 CA ALA A 113 0.291 0.703 0.331 1.00 0.00 C ATOM 1718 C ALA A 113 1.707 1.253 0.487 1.00 0.00 C ATOM 1719 O ALA A 113 2.411 1.479 -0.499 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.732 1.811 0.516 1.00 0.00 C ATOM 0 H ALA A 113 -0.683 -0.172 1.960 1.00 0.00 H new ATOM 0 HA ALA A 113 0.186 0.299 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.543 2.605 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.734 1.411 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.654 2.213 1.526 1.00 0.00 H new ATOM 1726 N LYS A 114 2.120 1.464 1.737 1.00 0.00 N ATOM 1727 CA LYS A 114 3.450 1.996 2.016 1.00 0.00 C ATOM 1728 C LYS A 114 4.521 0.919 1.917 1.00 0.00 C ATOM 1729 O LYS A 114 5.694 1.228 1.704 1.00 0.00 O ATOM 1730 CB LYS A 114 3.479 2.682 3.392 1.00 0.00 C ATOM 1731 CG LYS A 114 4.028 1.828 4.544 1.00 0.00 C ATOM 1732 CD LYS A 114 3.171 1.913 5.813 1.00 0.00 C ATOM 1733 CE LYS A 114 2.377 3.197 5.910 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.975 2.994 5.473 1.00 0.00 N ATOM 0 H LYS A 114 1.556 1.276 2.566 1.00 0.00 H new ATOM 0 HA LYS A 114 3.675 2.743 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.081 3.587 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.466 2.994 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.088 0.788 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.043 2.149 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.485 1.066 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.817 1.826 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.392 3.560 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.845 3.965 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.482 3.909 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.965 2.574 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.493 2.356 6.138 1.00 0.00 H new ATOM 1748 N VAL A 115 4.128 -0.344 2.051 1.00 0.00 N ATOM 1749 CA VAL A 115 5.096 -1.420 1.949 1.00 0.00 C ATOM 1750 C VAL A 115 5.571 -1.527 0.520 1.00 0.00 C ATOM 1751 O VAL A 115 6.777 -1.563 0.225 1.00 0.00 O ATOM 1752 CB VAL A 115 4.535 -2.788 2.411 1.00 0.00 C ATOM 1753 CG1 VAL A 115 3.941 -2.699 3.798 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.521 -3.375 1.444 1.00 0.00 C ATOM 0 H VAL A 115 3.168 -0.639 2.226 1.00 0.00 H new ATOM 0 HA VAL A 115 5.922 -1.175 2.617 1.00 0.00 H new ATOM 0 HB VAL A 115 5.388 -3.467 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 115 3.556 -3.675 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 115 4.710 -2.384 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.128 -1.973 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.167 -4.333 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.678 -2.691 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.989 -3.523 0.471 1.00 0.00 H new ATOM 1764 N LEU A 116 4.603 -1.548 -0.368 1.00 0.00 N ATOM 1765 CA LEU A 116 4.876 -1.636 -1.772 1.00 0.00 C ATOM 1766 C LEU A 116 5.459 -0.330 -2.271 1.00 0.00 C ATOM 1767 O LEU A 116 6.339 -0.339 -3.114 1.00 0.00 O ATOM 1768 CB LEU A 116 3.595 -1.977 -2.518 1.00 0.00 C ATOM 1769 CG LEU A 116 3.472 -3.428 -2.967 1.00 0.00 C ATOM 1770 CD1 LEU A 116 2.937 -4.288 -1.833 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.573 -3.536 -4.189 1.00 0.00 C ATOM 0 H LEU A 116 3.612 -1.504 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 116 5.606 -2.425 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.746 -1.739 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.523 -1.335 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 116 4.463 -3.791 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.854 -5.322 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.618 -4.235 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.954 -3.924 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.498 -4.580 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.581 -3.157 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.995 -2.949 -5.005 1.00 0.00 H new ATOM 1783 N LEU A 117 4.980 0.793 -1.738 1.00 0.00 N ATOM 1784 CA LEU A 117 5.506 2.087 -2.149 1.00 0.00 C ATOM 1785 C LEU A 117 6.859 2.337 -1.527 1.00 0.00 C ATOM 1786 O LEU A 117 7.648 3.134 -2.036 1.00 0.00 O ATOM 1787 CB LEU A 117 4.553 3.217 -1.797 1.00 0.00 C ATOM 1788 CG LEU A 117 3.659 3.645 -2.950 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.243 3.136 -2.745 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.670 5.155 -3.094 1.00 0.00 C ATOM 0 H LEU A 117 4.243 0.831 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 117 5.614 2.063 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.928 2.905 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.132 4.077 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 117 4.048 3.208 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.618 3.452 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.252 2.047 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.841 3.542 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.025 5.446 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.305 5.611 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.687 5.495 -3.289 1.00 0.00 H new ATOM 1802 N GLU A 118 7.150 1.621 -0.456 1.00 0.00 N ATOM 1803 CA GLU A 118 8.438 1.749 0.178 1.00 0.00 C ATOM 1804 C GLU A 118 9.435 1.098 -0.746 1.00 0.00 C ATOM 1805 O GLU A 118 10.440 1.702 -1.127 1.00 0.00 O ATOM 1806 CB GLU A 118 8.457 1.092 1.561 1.00 0.00 C ATOM 1807 CG GLU A 118 9.845 1.016 2.183 1.00 0.00 C ATOM 1808 CD GLU A 118 10.573 2.346 2.165 1.00 0.00 C ATOM 1809 OE1 GLU A 118 9.907 3.387 1.994 1.00 0.00 O ATOM 1810 OE2 GLU A 118 11.813 2.346 2.321 1.00 0.00 O ATOM 0 H GLU A 118 6.517 0.954 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 118 8.681 2.799 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.800 1.650 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.049 0.085 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.758 0.669 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.438 0.276 1.646 1.00 0.00 H new ATOM 1817 N ALA A 119 9.116 -0.125 -1.159 1.00 0.00 N ATOM 1818 CA ALA A 119 9.973 -0.819 -2.095 1.00 0.00 C ATOM 1819 C ALA A 119 9.847 -0.193 -3.471 1.00 0.00 C ATOM 1820 O ALA A 119 10.812 -0.138 -4.230 1.00 0.00 O ATOM 1821 CB ALA A 119 9.665 -2.303 -2.154 1.00 0.00 C ATOM 0 H ALA A 119 8.287 -0.641 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 119 11.001 -0.719 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.332 -2.785 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.810 -2.744 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.631 -2.448 -2.467 1.00 0.00 H new ATOM 1827 N ALA A 120 8.650 0.293 -3.780 1.00 0.00 N ATOM 1828 CA ALA A 120 8.397 0.930 -5.058 1.00 0.00 C ATOM 1829 C ALA A 120 9.288 2.143 -5.212 1.00 0.00 C ATOM 1830 O ALA A 120 10.167 2.181 -6.072 1.00 0.00 O ATOM 1831 CB ALA A 120 6.938 1.333 -5.201 1.00 0.00 C ATOM 0 H ALA A 120 7.842 0.256 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 120 8.622 0.210 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.785 1.807 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.307 0.447 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.675 2.034 -4.409 1.00 0.00 H new ATOM 1837 N LEU A 121 9.067 3.130 -4.354 1.00 0.00 N ATOM 1838 CA LEU A 121 9.864 4.338 -4.382 1.00 0.00 C ATOM 1839 C LEU A 121 11.341 3.987 -4.184 1.00 0.00 C ATOM 1840 O LEU A 121 12.231 4.660 -4.703 1.00 0.00 O ATOM 1841 CB LEU A 121 9.372 5.328 -3.316 1.00 0.00 C ATOM 1842 CG LEU A 121 10.232 5.456 -2.053 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.900 6.821 -1.995 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.383 5.224 -0.816 1.00 0.00 C ATOM 0 H LEU A 121 8.344 3.114 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 121 9.756 4.821 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.292 6.313 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.366 5.034 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 121 11.014 4.697 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.506 6.892 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.537 6.952 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.137 7.599 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.004 5.317 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.583 5.964 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.951 4.224 -0.854 1.00 0.00 H new ATOM 1856 N ARG A 122 11.579 2.920 -3.418 1.00 0.00 N ATOM 1857 CA ARG A 122 12.929 2.451 -3.124 1.00 0.00 C ATOM 1858 C ARG A 122 13.696 2.085 -4.394 1.00 0.00 C ATOM 1859 O ARG A 122 14.718 2.695 -4.709 1.00 0.00 O ATOM 1860 CB ARG A 122 12.853 1.237 -2.182 1.00 0.00 C ATOM 1861 CG ARG A 122 14.034 0.270 -2.268 1.00 0.00 C ATOM 1862 CD ARG A 122 13.662 -1.117 -1.773 1.00 0.00 C ATOM 1863 NE ARG A 122 14.705 -1.690 -0.926 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.879 -1.368 0.355 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.069 -0.497 0.943 1.00 0.00 N ATOM 1866 NH2 ARG A 122 15.865 -1.920 1.049 1.00 0.00 N ATOM 0 H ARG A 122 10.843 2.361 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 122 13.472 3.263 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.774 1.598 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.937 0.687 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.379 0.208 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.865 0.657 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.728 -1.065 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.486 -1.772 -2.626 1.00 0.00 H new ATOM 0 HE ARG A 122 15.337 -2.376 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.308 -0.070 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.207 -0.254 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.490 -2.591 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.998 -1.674 2.030 1.00 0.00 H new ATOM 1880 N GLN A 123 13.227 1.054 -5.092 1.00 0.00 N ATOM 1881 CA GLN A 123 13.909 0.582 -6.290 1.00 0.00 C ATOM 1882 C GLN A 123 13.484 1.319 -7.560 1.00 0.00 C ATOM 1883 O GLN A 123 14.045 1.070 -8.628 1.00 0.00 O ATOM 1884 CB GLN A 123 13.700 -0.923 -6.470 1.00 0.00 C ATOM 1885 CG GLN A 123 14.985 -1.679 -6.768 1.00 0.00 C ATOM 1886 CD GLN A 123 15.338 -1.670 -8.242 1.00 0.00 C ATOM 1887 OE1 GLN A 123 14.490 -1.929 -9.096 1.00 0.00 O ATOM 1888 NE2 GLN A 123 16.595 -1.371 -8.548 1.00 0.00 N ATOM 0 H GLN A 123 12.384 0.534 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 123 14.967 0.795 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 123 13.249 -1.331 -5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.992 -1.090 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.803 -1.236 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.883 -2.710 -6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 123 17.265 -1.163 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.891 -1.349 -9.524 1.00 0.00 H new ATOM 1897 N GLU A 124 12.502 2.215 -7.471 1.00 0.00 N ATOM 1898 CA GLU A 124 12.062 2.936 -8.666 1.00 0.00 C ATOM 1899 C GLU A 124 12.777 4.271 -8.810 1.00 0.00 C ATOM 1900 O GLU A 124 13.566 4.469 -9.733 1.00 0.00 O ATOM 1901 CB GLU A 124 10.555 3.184 -8.624 1.00 0.00 C ATOM 1902 CG GLU A 124 9.727 1.914 -8.721 1.00 0.00 C ATOM 1903 CD GLU A 124 9.362 1.566 -10.150 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.275 1.213 -10.927 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.164 1.646 -10.494 1.00 0.00 O ATOM 0 H GLU A 124 12.008 2.455 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 124 12.309 2.310 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.306 3.700 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.282 3.849 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.283 1.087 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.815 2.033 -8.135 1.00 0.00 H new ATOM 1912 N SER A 125 12.491 5.182 -7.894 1.00 0.00 N ATOM 1913 CA SER A 125 13.102 6.502 -7.917 1.00 0.00 C ATOM 1914 C SER A 125 14.304 6.577 -6.984 1.00 0.00 C ATOM 1915 O SER A 125 15.307 7.220 -7.294 1.00 0.00 O ATOM 1916 CB SER A 125 12.070 7.561 -7.535 1.00 0.00 C ATOM 1917 OG SER A 125 11.962 7.686 -6.127 1.00 0.00 O ATOM 0 H SER A 125 11.839 5.032 -7.124 1.00 0.00 H new ATOM 0 HA SER A 125 13.456 6.692 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.353 8.521 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.100 7.295 -7.955 1.00 0.00 H new ATOM 0 HG SER A 125 11.021 7.611 -5.863 1.00 0.00 H new ATOM 1923 N GLY A 126 14.179 5.941 -5.826 1.00 0.00 N ATOM 1924 CA GLY A 126 15.243 5.971 -4.842 1.00 0.00 C ATOM 1925 C GLY A 126 15.140 7.192 -3.976 1.00 0.00 C ATOM 1926 O GLY A 126 15.962 8.104 -4.073 1.00 0.00 O ATOM 0 H GLY A 126 13.357 5.404 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 126 15.195 5.076 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.210 5.958 -5.346 1.00 0.00 H new ATOM 1930 N ALA A 127 14.092 7.235 -3.153 1.00 0.00 N ATOM 1931 CA ALA A 127 13.853 8.389 -2.305 1.00 0.00 C ATOM 1932 C ALA A 127 13.933 9.638 -3.164 1.00 0.00 C ATOM 1933 O ALA A 127 14.292 10.718 -2.694 1.00 0.00 O ATOM 1934 CB ALA A 127 14.864 8.444 -1.169 1.00 0.00 C ATOM 0 H ALA A 127 13.404 6.488 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 127 12.864 8.317 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.665 9.317 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.781 7.541 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.871 8.514 -1.581 1.00 0.00 H new ATOM 1940 N ARG A 128 13.621 9.460 -4.449 1.00 0.00 N ATOM 1941 CA ARG A 128 13.681 10.540 -5.403 1.00 0.00 C ATOM 1942 C ARG A 128 12.315 11.193 -5.589 1.00 0.00 C ATOM 1943 O ARG A 128 12.152 12.391 -5.359 1.00 0.00 O ATOM 1944 CB ARG A 128 14.206 10.036 -6.748 1.00 0.00 C ATOM 1945 CG ARG A 128 15.710 10.183 -6.907 1.00 0.00 C ATOM 1946 CD ARG A 128 16.153 11.622 -6.705 1.00 0.00 C ATOM 1947 NE ARG A 128 16.975 11.779 -5.507 1.00 0.00 N ATOM 1948 CZ ARG A 128 17.173 12.941 -4.889 1.00 0.00 C ATOM 1949 NH1 ARG A 128 16.611 14.051 -5.351 1.00 0.00 N ATOM 1950 NH2 ARG A 128 17.935 12.994 -3.805 1.00 0.00 N ATOM 0 H ARG A 128 13.324 8.567 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 128 14.367 11.291 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.938 8.986 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.709 10.582 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.218 9.541 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.007 9.846 -7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.716 11.954 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.276 12.264 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 128 17.424 10.948 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.024 14.017 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.767 14.938 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.369 12.144 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.087 13.885 -3.331 1.00 0.00 H new ATOM 1964 N GLY A 129 11.336 10.395 -6.012 1.00 0.00 N ATOM 1965 CA GLY A 129 9.998 10.915 -6.226 1.00 0.00 C ATOM 1966 C GLY A 129 9.787 11.412 -7.643 1.00 0.00 C ATOM 1967 O GLY A 129 9.195 10.717 -8.469 1.00 0.00 O ATOM 0 H GLY A 129 11.447 9.400 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.269 10.135 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.813 11.731 -5.527 1.00 0.00 H new ATOM 1971 N SER A 130 10.273 12.617 -7.924 1.00 0.00 N ATOM 1972 CA SER A 130 10.134 13.206 -9.251 1.00 0.00 C ATOM 1973 C SER A 130 8.663 13.376 -9.620 1.00 0.00 C ATOM 1974 O SER A 130 8.154 14.511 -9.512 1.00 0.00 O ATOM 1975 CB SER A 130 10.838 12.336 -10.295 1.00 0.00 C ATOM 1976 OG SER A 130 12.128 12.840 -10.592 1.00 0.00 O ATOM 0 H SER A 130 10.766 13.204 -7.251 1.00 0.00 H new ATOM 0 HA SER A 130 10.601 14.191 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.920 11.314 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.240 12.299 -11.206 1.00 0.00 H new ATOM 0 HG SER A 130 12.558 12.266 -11.260 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -12.904 15.621 -2.868 1.00 0.00 C HETATM 1984 O ACE B 201 -13.855 16.198 -2.339 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -12.445 14.255 -2.369 1.00 0.00 C HETATM 0 H1 ACE B 201 -12.523 13.527 -3.177 1.00 0.00 H new HETATM 0 H2 ACE B 201 -11.409 14.318 -2.037 1.00 0.00 H new HETATM 0 H3 ACE B 201 -13.075 13.941 -1.536 1.00 0.00 H new ATOM 1989 N ASP B 202 -12.225 16.137 -3.887 1.00 0.00 N ATOM 1990 CA ASP B 202 -11.969 15.370 -5.100 1.00 0.00 C ATOM 1991 C ASP B 202 -10.619 14.662 -5.022 1.00 0.00 C ATOM 1992 O ASP B 202 -10.539 13.442 -5.164 1.00 0.00 O ATOM 1993 CB ASP B 202 -12.008 16.285 -6.325 1.00 0.00 C ATOM 1994 CG ASP B 202 -13.398 16.826 -6.598 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -13.824 17.757 -5.883 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -14.061 16.318 -7.527 1.00 0.00 O ATOM 0 H ASP B 202 -11.842 17.082 -3.897 1.00 0.00 H new ATOM 0 HA ASP B 202 -12.750 14.615 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -11.320 17.117 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -11.657 15.734 -7.198 1.00 0.00 H new ATOM 2001 N GLU B 203 -9.562 15.435 -4.796 1.00 0.00 N ATOM 2002 CA GLU B 203 -8.214 14.882 -4.699 1.00 0.00 C ATOM 2003 C GLU B 203 -7.611 15.118 -3.313 1.00 0.00 C ATOM 2004 O GLU B 203 -6.534 14.607 -3.003 1.00 0.00 O ATOM 2005 CB GLU B 203 -7.314 15.497 -5.772 1.00 0.00 C ATOM 2006 CG GLU B 203 -7.926 15.478 -7.163 1.00 0.00 C ATOM 2007 CD GLU B 203 -7.458 14.295 -7.990 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -6.259 14.249 -8.333 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -8.292 13.416 -8.293 1.00 0.00 O ATOM 0 H GLU B 203 -9.612 16.447 -4.676 1.00 0.00 H new ATOM 0 HA GLU B 203 -8.282 13.806 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -7.088 16.527 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -6.367 14.957 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -9.012 15.450 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -7.671 16.402 -7.681 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.308 15.891 -2.483 1.00 0.00 N HETATM 2017 CA PTR B 204 -7.839 16.190 -1.133 1.00 0.00 C HETATM 2018 C PTR B 204 -6.536 16.987 -1.164 1.00 0.00 C HETATM 2019 O PTR B 204 -5.491 16.517 -0.713 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.644 14.891 -0.346 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.896 14.044 -0.262 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -8.899 12.718 -0.682 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -10.077 14.573 0.240 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -10.044 11.948 -0.604 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -11.225 13.810 0.321 1.00 0.00 C HETATM 2026 CZ PTR B 204 -11.204 12.498 -0.102 1.00 0.00 C HETATM 2027 OH PTR B 204 -12.347 11.734 -0.022 1.00 0.00 O HETATM 2028 P PTR B 204 -13.160 11.758 1.310 1.00 0.00 P HETATM 2029 O1P PTR B 204 -12.110 11.474 2.415 1.00 0.00 O HETATM 2030 O2P PTR B 204 -14.124 10.549 1.203 1.00 0.00 O HETATM 2031 O3P PTR B 204 -13.884 13.054 1.523 1.00 0.00 O HETATM 0 HE2 PTR B 204 -12.143 14.243 0.717 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -10.030 10.911 -0.938 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -10.099 15.610 0.576 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -7.984 12.279 -1.079 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.851 14.308 -0.813 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -7.310 15.133 0.663 1.00 0.00 H new HETATM 0 HA PTR B 204 -8.595 16.800 -0.639 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.621 18.207 -1.687 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.472 19.107 -1.773 1.00 0.00 C ATOM 2042 C ASP B 205 -4.255 18.442 -2.431 1.00 0.00 C ATOM 2043 O ASP B 205 -4.198 18.321 -3.655 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.114 19.638 -0.382 1.00 0.00 C ATOM 2045 CG ASP B 205 -6.002 20.792 0.041 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -5.878 21.884 -0.551 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -6.822 20.602 0.964 1.00 0.00 O ATOM 0 H ASP B 205 -7.484 18.600 -2.062 1.00 0.00 H new ATOM 0 HA ASP B 205 -5.758 19.942 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -5.200 18.831 0.346 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -4.073 19.962 -0.376 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.272 18.034 -1.623 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.058 17.416 -2.150 1.00 0.00 C ATOM 2054 C ASP B 206 -1.646 16.197 -1.319 1.00 0.00 C ATOM 2055 O ASP B 206 -2.251 15.910 -0.286 1.00 0.00 O ATOM 2056 CB ASP B 206 -0.929 18.449 -2.172 1.00 0.00 C ATOM 2057 CG ASP B 206 -0.584 18.899 -3.579 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -0.675 18.068 -4.507 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -0.222 20.082 -3.753 1.00 0.00 O ATOM 0 H ASP B 206 -3.295 18.121 -0.607 1.00 0.00 H new ATOM 0 HA ASP B 206 -2.258 17.071 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -1.221 19.315 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -0.042 18.024 -1.702 1.00 0.00 H new ATOM 2064 N PRO B 207 -0.611 15.454 -1.766 1.00 0.00 N ATOM 2065 CA PRO B 207 -0.132 14.255 -1.062 1.00 0.00 C ATOM 2066 C PRO B 207 0.497 14.562 0.296 1.00 0.00 C ATOM 2067 O PRO B 207 1.655 14.227 0.535 1.00 0.00 O ATOM 2068 CB PRO B 207 0.926 13.676 -2.008 1.00 0.00 C ATOM 2069 CG PRO B 207 1.366 14.826 -2.844 1.00 0.00 C ATOM 2070 CD PRO B 207 0.162 15.710 -2.999 1.00 0.00 C ATOM 0 HA PRO B 207 -0.956 13.577 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO B 207 1.761 13.250 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.511 12.877 -2.623 1.00 0.00 H new ATOM 0 HG2 PRO B 207 2.186 15.364 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.728 14.487 -3.814 1.00 0.00 H new ATOM 0 HD2 PRO B 207 0.443 16.760 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -0.410 15.457 -3.892 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.270 15.179 1.191 1.00 0.00 N ATOM 2079 CA PHE B 208 0.224 15.503 2.529 1.00 0.00 C ATOM 2080 C PHE B 208 1.363 16.522 2.471 1.00 0.00 C ATOM 2081 O PHE B 208 1.860 16.970 3.504 1.00 0.00 O ATOM 2082 CB PHE B 208 0.644 14.200 3.244 1.00 0.00 C ATOM 2083 CG PHE B 208 2.064 14.131 3.757 1.00 0.00 C ATOM 2084 CD1 PHE B 208 3.144 14.445 2.941 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.314 13.722 5.060 1.00 0.00 C ATOM 2086 CE1 PHE B 208 4.437 14.355 3.414 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.608 13.634 5.537 1.00 0.00 C ATOM 2088 CZ PHE B 208 4.670 13.951 4.713 1.00 0.00 C ATOM 0 H PHE B 208 -1.233 15.465 1.016 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.574 15.972 3.105 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -0.029 14.043 4.086 1.00 0.00 H new ATOM 0 HB3 PHE B 208 0.491 13.370 2.554 1.00 0.00 H new ATOM 0 HD1 PHE B 208 2.969 14.763 1.924 1.00 0.00 H new ATOM 0 HD2 PHE B 208 1.488 13.470 5.708 1.00 0.00 H new ATOM 0 HE1 PHE B 208 5.267 14.601 2.768 1.00 0.00 H new ATOM 0 HE2 PHE B 208 3.789 13.317 6.554 1.00 0.00 H new ATOM 0 HZ PHE B 208 5.682 13.883 5.085 1.00 0.00 H new HETATM 2098 N NH2 B 209 1.776 16.887 1.262 1.00 0.00 N TER 2101 NH2 B 209