USER MOD reduce.3.24.130724 H: found=0, std=0, add=1044, 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 H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 13 SER OG : rot 180:sc= -0.946 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -155:sc= -3.46! (180deg=-4.75!) USER MOD Set 2.1: A 87 ASN : amide:sc= -6.93! C(o=-17!,f=-19!) USER MOD Set 2.2: A 88 TYR OH : rot -30:sc= -1.83 USER MOD Set 2.3: A 108 MET CE :methyl -169:sc= -7.84! (180deg=-8.72!) USER MOD Set 3.1: A 43 THR OG1 : rot -131:sc= 0.368 USER MOD Set 3.2: A 105 SER OG : rot -62:sc= 0.468 USER MOD Set 4.1: A 24 THR OG1 : rot -100:sc= -0.167 USER MOD Set 4.2: A 34 ASN : amide:sc= -0.486 K(o=-0.13,f=-3.7!) USER MOD Set 4.3: A 37 THR OG1 : rot 180:sc= 0.522 USER MOD Set 5.1: A 2 ASN :FLIP amide:sc= -2.13! C(o=-7.9!,f=-5.1!) USER MOD Set 5.2: A 62 HIS : no HD1:sc= -2.99! K(o=-5.1!,f=-8.5) USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.0879) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0 (180deg=-0.0782) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 6 SER OG : rot 130:sc= -0.108 USER MOD Single : A 9 HIS :FLIP no HE2:sc= -4.97! C(o=-6.9!,f=-5!) USER MOD Single : A 11 GLN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 20 SER OG : rot 90:sc= -2.63 USER MOD Single : A 23 CYS SG : rot -90:sc= -3.88 USER MOD Single : A 26 LYS NZ :NH3+ 133:sc= -2.73! (180deg=-4.61!) USER MOD Single : A 30 ASN : amide:sc= -6.92! C(o=-6.9!,f=-8.2!) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.234 (180deg=-0.902) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.221! USER MOD Single : A 40 GLN : amide:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Single : A 46 SER OG : rot 170:sc= -0.0432 USER MOD Single : A 51 SER OG : rot 90:sc= -0.0835 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.937 K(o=-0.94,f=-3.3!) USER MOD Single : A 58 THR OG1 : rot -79:sc= -1.2 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -1.11 F(o=-1.9,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 70 GLN : amide:sc= -0.841 X(o=-0.84,f=-0.85) USER MOD Single : A 73 THR OG1 : rot 60:sc= 1.08 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= -0.441! (180deg=-0.607!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 119:sc= -2.13 USER MOD Single : A 80 THR OG1 : rot -47:sc= 0.0486 USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= -0.381 (180deg=-1.63!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.31) USER MOD Single : A 86 ASN : amide:sc= -0.23 K(o=-0.23,f=-3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -4.52! C(o=-5.3!,f=-4.5!) USER MOD Single : A 97 ASN : amide:sc= -5.5! C(o=-5.5!,f=-6.5!) USER MOD Single : A 98 SER OG : rot 47:sc= -0.312! USER MOD Single : A 102 SER OG : rot 125:sc= 0.366 USER MOD Single : A 107 GLN :FLIP amide:sc= -10.3! C(o=-17!,f=-10!) USER MOD Single : A 109 THR OG1 : rot -126:sc= 1.16 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.578 F(o=-3.5,f=-0.58) USER MOD Single : A 123 GLN :FLIP amide:sc= -0.251 F(o=-0.79,f=-0.25) USER MOD Single : A 125 SER OG : rot 180:sc= 1.97 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.787 7.243 -12.851 1.00 0.00 N ATOM 2 CA MET A 1 -3.098 7.882 -12.564 1.00 0.00 C ATOM 3 C MET A 1 -3.330 8.014 -11.061 1.00 0.00 C ATOM 4 O MET A 1 -4.405 7.688 -10.557 1.00 0.00 O ATOM 5 CB MET A 1 -4.201 7.033 -13.201 1.00 0.00 C ATOM 6 CG MET A 1 -4.271 7.164 -14.714 1.00 0.00 C ATOM 7 SD MET A 1 -4.735 5.622 -15.526 1.00 0.00 S ATOM 8 CE MET A 1 -3.221 4.680 -15.359 1.00 0.00 C ATOM 0 H1 MET A 1 -1.904 6.533 -13.602 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.108 7.967 -13.162 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.430 6.781 -11.990 1.00 0.00 H new ATOM 0 HA MET A 1 -3.109 8.888 -12.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.038 5.987 -12.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.162 7.321 -12.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.993 7.938 -14.974 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.302 7.491 -15.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.258 3.812 -16.018 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.371 5.306 -15.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.111 4.348 -14.327 1.00 0.00 H new ATOM 20 N ASN A 2 -2.313 8.494 -10.350 1.00 0.00 N ATOM 21 CA ASN A 2 -2.402 8.668 -8.904 1.00 0.00 C ATOM 22 C ASN A 2 -1.326 9.631 -8.403 1.00 0.00 C ATOM 23 O ASN A 2 -0.725 10.365 -9.188 1.00 0.00 O ATOM 24 CB ASN A 2 -2.273 7.310 -8.203 1.00 0.00 C ATOM 25 CG ASN A 2 -0.840 6.814 -8.143 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.392 6.446 -6.949 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -0.147 6.759 -9.159 1.00 0.00 N flip ATOM 0 H ASN A 2 -1.417 8.769 -10.753 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.376 9.098 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.668 7.390 -7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.885 6.576 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.533 7.053 -10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.813 6.420 -9.104 1.00 0.00 H new ATOM 34 N LEU A 3 -1.082 9.618 -7.095 1.00 0.00 N ATOM 35 CA LEU A 3 -0.070 10.487 -6.499 1.00 0.00 C ATOM 36 C LEU A 3 1.331 9.989 -6.842 1.00 0.00 C ATOM 37 O LEU A 3 1.497 8.909 -7.407 1.00 0.00 O ATOM 38 CB LEU A 3 -0.226 10.542 -4.975 1.00 0.00 C ATOM 39 CG LEU A 3 -1.482 11.246 -4.459 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.597 10.238 -4.223 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.171 12.010 -3.178 1.00 0.00 C ATOM 0 H LEU A 3 -1.569 9.018 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.210 11.488 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.221 9.522 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.647 11.044 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.817 11.958 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.483 10.755 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.834 9.732 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.274 9.504 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.074 12.506 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.815 11.315 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.402 12.756 -3.377 1.00 0.00 H new ATOM 53 N SER A 4 2.336 10.778 -6.480 1.00 0.00 N ATOM 54 CA SER A 4 3.723 10.413 -6.731 1.00 0.00 C ATOM 55 C SER A 4 4.268 9.597 -5.566 1.00 0.00 C ATOM 56 O SER A 4 4.040 9.937 -4.406 1.00 0.00 O ATOM 57 CB SER A 4 4.574 11.666 -6.938 1.00 0.00 C ATOM 58 OG SER A 4 4.205 12.690 -6.032 1.00 0.00 O ATOM 0 H SER A 4 2.215 11.676 -6.011 1.00 0.00 H new ATOM 0 HA SER A 4 3.766 9.809 -7.637 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.627 11.420 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.458 12.023 -7.961 1.00 0.00 H new ATOM 0 HG SER A 4 4.766 13.479 -6.184 1.00 0.00 H new ATOM 64 N LEU A 5 4.981 8.519 -5.881 1.00 0.00 N ATOM 65 CA LEU A 5 5.558 7.639 -4.859 1.00 0.00 C ATOM 66 C LEU A 5 6.057 8.417 -3.672 1.00 0.00 C ATOM 67 O LEU A 5 5.593 8.238 -2.546 1.00 0.00 O ATOM 68 CB LEU A 5 6.717 6.844 -5.427 1.00 0.00 C ATOM 69 CG LEU A 5 6.339 5.961 -6.580 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.393 5.981 -7.675 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.072 4.540 -6.109 1.00 0.00 C ATOM 0 H LEU A 5 5.176 8.230 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 5 4.761 6.967 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.495 7.535 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.146 6.229 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 5 5.419 6.359 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.082 5.329 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.511 6.998 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.343 5.630 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.800 3.919 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.969 4.138 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.255 4.543 -5.387 1.00 0.00 H new ATOM 83 N SER A 6 7.023 9.268 -3.943 1.00 0.00 N ATOM 84 CA SER A 6 7.633 10.084 -2.927 1.00 0.00 C ATOM 85 C SER A 6 6.590 10.621 -1.941 1.00 0.00 C ATOM 86 O SER A 6 6.592 10.257 -0.763 1.00 0.00 O ATOM 87 CB SER A 6 8.400 11.219 -3.597 1.00 0.00 C ATOM 88 OG SER A 6 8.248 12.442 -2.896 1.00 0.00 O ATOM 0 H SER A 6 7.405 9.410 -4.878 1.00 0.00 H new ATOM 0 HA SER A 6 8.327 9.475 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.457 10.960 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.048 11.341 -4.621 1.00 0.00 H new ATOM 0 HG SER A 6 9.129 12.841 -2.740 1.00 0.00 H new ATOM 94 N ASP A 7 5.684 11.466 -2.430 1.00 0.00 N ATOM 95 CA ASP A 7 4.631 12.018 -1.583 1.00 0.00 C ATOM 96 C ASP A 7 3.754 10.895 -1.046 1.00 0.00 C ATOM 97 O ASP A 7 3.428 10.858 0.139 1.00 0.00 O ATOM 98 CB ASP A 7 3.777 13.025 -2.357 1.00 0.00 C ATOM 99 CG ASP A 7 3.542 14.303 -1.575 1.00 0.00 C ATOM 100 OD1 ASP A 7 4.407 14.661 -0.749 1.00 0.00 O ATOM 101 OD2 ASP A 7 2.493 14.946 -1.790 1.00 0.00 O ATOM 0 H ASP A 7 5.658 11.781 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 7 5.101 12.539 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.267 13.264 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.817 12.571 -2.603 1.00 0.00 H new ATOM 106 N LEU A 8 3.392 9.964 -1.927 1.00 0.00 N ATOM 107 CA LEU A 8 2.572 8.819 -1.540 1.00 0.00 C ATOM 108 C LEU A 8 3.097 8.225 -0.247 1.00 0.00 C ATOM 109 O LEU A 8 2.434 8.269 0.789 1.00 0.00 O ATOM 110 CB LEU A 8 2.605 7.752 -2.630 1.00 0.00 C ATOM 111 CG LEU A 8 1.250 7.271 -3.171 1.00 0.00 C ATOM 112 CD1 LEU A 8 0.071 7.898 -2.438 1.00 0.00 C ATOM 113 CD2 LEU A 8 1.161 7.553 -4.657 1.00 0.00 C ATOM 0 H LEU A 8 3.654 9.981 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 8 1.546 9.158 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.187 8.139 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.142 6.887 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 8 1.192 6.197 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.861 7.523 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.120 7.638 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.109 8.982 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.198 7.210 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.258 8.625 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.963 7.028 -5.176 1.00 0.00 H new ATOM 125 N HIS A 9 4.314 7.693 -0.316 1.00 0.00 N ATOM 126 CA HIS A 9 4.957 7.115 0.849 1.00 0.00 C ATOM 127 C HIS A 9 4.946 8.116 1.984 1.00 0.00 C ATOM 128 O HIS A 9 4.727 7.767 3.136 1.00 0.00 O ATOM 129 CB HIS A 9 6.398 6.734 0.536 1.00 0.00 C ATOM 130 CG HIS A 9 7.064 5.981 1.647 1.00 0.00 C ATOM 131 ND1 HIS A 9 8.228 6.211 2.301 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 6.530 4.842 2.212 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 8.372 5.219 3.239 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 7.334 4.406 3.166 1.00 0.00 N flip ATOM 0 H HIS A 9 4.871 7.653 -1.169 1.00 0.00 H new ATOM 0 HA HIS A 9 4.408 6.218 1.135 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.418 6.127 -0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.969 7.639 0.326 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.877 6.979 2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.599 4.378 1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.200 5.120 3.925 1.00 0.00 H new ATOM 143 N ARG A 10 5.183 9.371 1.636 1.00 0.00 N ATOM 144 CA ARG A 10 5.204 10.437 2.627 1.00 0.00 C ATOM 145 C ARG A 10 3.884 10.493 3.393 1.00 0.00 C ATOM 146 O ARG A 10 3.857 10.284 4.610 1.00 0.00 O ATOM 147 CB ARG A 10 5.506 11.786 1.968 1.00 0.00 C ATOM 148 CG ARG A 10 6.935 11.908 1.463 1.00 0.00 C ATOM 149 CD ARG A 10 7.836 12.560 2.499 1.00 0.00 C ATOM 150 NE ARG A 10 8.924 13.317 1.883 1.00 0.00 N ATOM 151 CZ ARG A 10 10.020 13.701 2.534 1.00 0.00 C ATOM 152 NH1 ARG A 10 10.182 13.394 3.815 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.958 14.393 1.901 1.00 0.00 N ATOM 0 H ARG A 10 5.363 9.676 0.680 1.00 0.00 H new ATOM 0 HA ARG A 10 6.000 10.221 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.820 11.936 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.313 12.583 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.320 10.919 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.949 12.496 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.243 13.224 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.253 11.792 3.151 1.00 0.00 H new ATOM 0 HE ARG A 10 8.839 13.565 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.465 12.861 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.024 13.691 4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.839 14.631 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.798 14.688 2.399 1.00 0.00 H new ATOM 167 N GLN A 11 2.785 10.764 2.690 1.00 0.00 N ATOM 168 CA GLN A 11 1.489 10.832 3.350 1.00 0.00 C ATOM 169 C GLN A 11 1.087 9.469 3.921 1.00 0.00 C ATOM 170 O GLN A 11 0.779 9.358 5.115 1.00 0.00 O ATOM 171 CB GLN A 11 0.392 11.394 2.423 1.00 0.00 C ATOM 172 CG GLN A 11 0.356 10.810 1.011 1.00 0.00 C ATOM 173 CD GLN A 11 0.892 11.745 -0.073 1.00 0.00 C ATOM 174 OE1 GLN A 11 1.102 11.318 -1.208 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.107 13.020 0.250 1.00 0.00 N ATOM 0 H GLN A 11 2.767 10.936 1.685 1.00 0.00 H new ATOM 0 HA GLN A 11 1.591 11.530 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.577 11.223 2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.524 12.473 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.937 9.888 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.672 10.543 0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.923 13.343 1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.455 13.672 -0.453 1.00 0.00 H new ATOM 184 N VAL A 12 1.101 8.422 3.089 1.00 0.00 N ATOM 185 CA VAL A 12 0.734 7.092 3.562 1.00 0.00 C ATOM 186 C VAL A 12 1.559 6.689 4.787 1.00 0.00 C ATOM 187 O VAL A 12 1.009 6.276 5.810 1.00 0.00 O ATOM 188 CB VAL A 12 0.872 6.022 2.453 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.327 5.694 2.171 1.00 0.00 C ATOM 190 CG2 VAL A 12 0.102 4.766 2.829 1.00 0.00 C ATOM 0 H VAL A 12 1.358 8.471 2.103 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.316 7.143 3.850 1.00 0.00 H new ATOM 0 HB VAL A 12 0.446 6.434 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.384 4.939 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.847 6.595 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.796 5.312 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.209 4.023 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.497 4.363 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.953 5.010 2.957 1.00 0.00 H new ATOM 200 N SER A 13 2.879 6.816 4.676 1.00 0.00 N ATOM 201 CA SER A 13 3.782 6.458 5.766 1.00 0.00 C ATOM 202 C SER A 13 3.576 7.325 6.994 1.00 0.00 C ATOM 203 O SER A 13 3.789 6.871 8.119 1.00 0.00 O ATOM 204 CB SER A 13 5.241 6.562 5.316 1.00 0.00 C ATOM 205 OG SER A 13 6.119 6.042 6.299 1.00 0.00 O ATOM 0 H SER A 13 3.348 7.165 3.840 1.00 0.00 H new ATOM 0 HA SER A 13 3.550 5.428 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.375 6.019 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.490 7.605 5.118 1.00 0.00 H new ATOM 0 HG SER A 13 7.044 6.120 5.985 1.00 0.00 H new ATOM 211 N ARG A 14 3.176 8.571 6.791 1.00 0.00 N ATOM 212 CA ARG A 14 2.979 9.465 7.912 1.00 0.00 C ATOM 213 C ARG A 14 1.757 9.070 8.711 1.00 0.00 C ATOM 214 O ARG A 14 1.742 9.199 9.935 1.00 0.00 O ATOM 215 CB ARG A 14 2.854 10.910 7.443 1.00 0.00 C ATOM 216 CG ARG A 14 2.914 11.920 8.577 1.00 0.00 C ATOM 217 CD ARG A 14 4.333 12.094 9.094 1.00 0.00 C ATOM 218 NE ARG A 14 5.115 12.995 8.251 1.00 0.00 N ATOM 219 CZ ARG A 14 6.435 13.138 8.342 1.00 0.00 C ATOM 220 NH1 ARG A 14 7.124 12.448 9.243 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.067 13.975 7.531 1.00 0.00 N ATOM 0 H ARG A 14 2.985 8.977 5.875 1.00 0.00 H new ATOM 0 HA ARG A 14 3.855 9.385 8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.653 11.124 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.912 11.030 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.531 12.880 8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.267 11.594 9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.303 12.484 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.824 11.122 9.139 1.00 0.00 H new ATOM 0 HE ARG A 14 4.620 13.547 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.642 11.804 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.136 12.562 9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.542 14.508 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.079 14.086 7.600 1.00 0.00 H new ATOM 235 N LEU A 15 0.729 8.584 8.029 1.00 0.00 N ATOM 236 CA LEU A 15 -0.477 8.180 8.726 1.00 0.00 C ATOM 237 C LEU A 15 -0.264 6.851 9.439 1.00 0.00 C ATOM 238 O LEU A 15 -0.526 6.726 10.632 1.00 0.00 O ATOM 239 CB LEU A 15 -1.662 8.056 7.777 1.00 0.00 C ATOM 240 CG LEU A 15 -1.644 8.989 6.575 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.674 8.175 5.298 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.818 9.956 6.625 1.00 0.00 C ATOM 0 H LEU A 15 0.707 8.463 7.016 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.700 8.957 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.709 7.029 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.577 8.238 8.341 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.727 9.577 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.661 8.846 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.802 7.522 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.581 7.571 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.785 10.613 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.752 9.395 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.759 10.554 7.535 1.00 0.00 H new ATOM 254 N VAL A 16 0.207 5.855 8.691 1.00 0.00 N ATOM 255 CA VAL A 16 0.443 4.524 9.251 1.00 0.00 C ATOM 256 C VAL A 16 1.471 4.553 10.376 1.00 0.00 C ATOM 257 O VAL A 16 1.213 4.070 11.479 1.00 0.00 O ATOM 258 CB VAL A 16 0.941 3.517 8.193 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.585 2.099 8.602 1.00 0.00 C ATOM 260 CG2 VAL A 16 0.390 3.827 6.811 1.00 0.00 C ATOM 0 H VAL A 16 0.432 5.943 7.700 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.526 4.204 9.634 1.00 0.00 H new ATOM 0 HB VAL A 16 2.026 3.608 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.943 1.401 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.053 1.868 9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.497 2.008 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.765 3.094 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.699 3.785 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.708 4.825 6.508 1.00 0.00 H new ATOM 270 N GLN A 17 2.649 5.091 10.080 1.00 0.00 N ATOM 271 CA GLN A 17 3.731 5.145 11.055 1.00 0.00 C ATOM 272 C GLN A 17 3.358 5.958 12.295 1.00 0.00 C ATOM 273 O GLN A 17 4.009 5.835 13.333 1.00 0.00 O ATOM 274 CB GLN A 17 4.996 5.711 10.410 1.00 0.00 C ATOM 275 CG GLN A 17 5.492 4.888 9.228 1.00 0.00 C ATOM 276 CD GLN A 17 6.895 4.351 9.438 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.097 3.375 10.159 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.873 4.990 8.806 1.00 0.00 N ATOM 0 H GLN A 17 2.879 5.496 9.172 1.00 0.00 H new ATOM 0 HA GLN A 17 3.919 4.123 11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.800 6.730 10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.784 5.767 11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.810 4.055 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.473 5.503 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.659 5.795 8.218 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.838 4.675 8.909 1.00 0.00 H new ATOM 287 N GLN A 18 2.320 6.786 12.200 1.00 0.00 N ATOM 288 CA GLN A 18 1.907 7.593 13.346 1.00 0.00 C ATOM 289 C GLN A 18 0.571 8.288 13.103 1.00 0.00 C ATOM 290 O GLN A 18 0.518 9.507 12.937 1.00 0.00 O ATOM 291 CB GLN A 18 2.981 8.634 13.670 1.00 0.00 C ATOM 292 CG GLN A 18 3.407 9.459 12.467 1.00 0.00 C ATOM 293 CD GLN A 18 4.194 10.695 12.857 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.809 11.429 13.767 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.303 10.931 12.166 1.00 0.00 N ATOM 0 H GLN A 18 1.759 6.915 11.358 1.00 0.00 H new ATOM 0 HA GLN A 18 1.781 6.918 14.193 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.606 9.303 14.445 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.854 8.128 14.081 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.013 8.841 11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.523 9.758 11.905 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.584 10.295 11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.874 11.748 12.382 1.00 0.00 H new ATOM 304 N GLU A 19 -0.509 7.509 13.096 1.00 0.00 N ATOM 305 CA GLU A 19 -1.850 8.056 12.887 1.00 0.00 C ATOM 306 C GLU A 19 -2.873 6.942 12.687 1.00 0.00 C ATOM 307 O GLU A 19 -4.008 7.037 13.155 1.00 0.00 O ATOM 308 CB GLU A 19 -1.870 8.997 11.677 1.00 0.00 C ATOM 309 CG GLU A 19 -2.438 10.372 11.989 1.00 0.00 C ATOM 310 CD GLU A 19 -1.359 11.425 12.147 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.850 11.913 11.116 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.022 11.761 13.301 1.00 0.00 O ATOM 0 H GLU A 19 -0.483 6.498 13.232 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.118 8.619 13.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.855 9.110 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.459 8.541 10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.118 10.670 11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.026 10.319 12.905 1.00 0.00 H new ATOM 319 N SER A 20 -2.469 5.893 11.980 1.00 0.00 N ATOM 320 CA SER A 20 -3.353 4.768 11.705 1.00 0.00 C ATOM 321 C SER A 20 -2.853 3.488 12.367 1.00 0.00 C ATOM 322 O SER A 20 -3.633 2.570 12.622 1.00 0.00 O ATOM 323 CB SER A 20 -3.475 4.556 10.195 1.00 0.00 C ATOM 324 OG SER A 20 -4.146 5.642 9.582 1.00 0.00 O ATOM 0 H SER A 20 -1.533 5.799 11.586 1.00 0.00 H new ATOM 0 HA SER A 20 -4.332 5.003 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.482 4.444 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.016 3.631 9.997 1.00 0.00 H new ATOM 0 HG SER A 20 -3.493 6.322 9.316 1.00 0.00 H new ATOM 330 N GLY A 21 -1.552 3.423 12.636 1.00 0.00 N ATOM 331 CA GLY A 21 -0.987 2.238 13.256 1.00 0.00 C ATOM 332 C GLY A 21 -1.270 0.987 12.449 1.00 0.00 C ATOM 333 O GLY A 21 -1.835 0.021 12.962 1.00 0.00 O ATOM 0 H GLY A 21 -0.882 4.166 12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.090 2.364 13.364 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.397 2.123 14.259 1.00 0.00 H new ATOM 337 N ASP A 22 -0.882 1.012 11.180 1.00 0.00 N ATOM 338 CA ASP A 22 -1.098 -0.115 10.285 1.00 0.00 C ATOM 339 C ASP A 22 -2.587 -0.427 10.157 1.00 0.00 C ATOM 340 O ASP A 22 -3.112 -1.314 10.831 1.00 0.00 O ATOM 341 CB ASP A 22 -0.344 -1.349 10.774 1.00 0.00 C ATOM 342 CG ASP A 22 0.894 -1.006 11.583 1.00 0.00 C ATOM 343 OD1 ASP A 22 1.898 -0.576 10.978 1.00 0.00 O ATOM 344 OD2 ASP A 22 0.858 -1.171 12.821 1.00 0.00 O ATOM 0 H ASP A 22 -0.413 1.807 10.746 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.714 0.160 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.012 -1.958 11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.054 -1.955 9.915 1.00 0.00 H new ATOM 349 N CYS A 23 -3.253 0.312 9.282 1.00 0.00 N ATOM 350 CA CYS A 23 -4.682 0.139 9.037 1.00 0.00 C ATOM 351 C CYS A 23 -4.948 0.124 7.536 1.00 0.00 C ATOM 352 O CYS A 23 -4.072 -0.257 6.761 1.00 0.00 O ATOM 353 CB CYS A 23 -5.469 1.258 9.724 1.00 0.00 C ATOM 354 SG CYS A 23 -6.837 0.667 10.745 1.00 0.00 S ATOM 0 H CYS A 23 -2.822 1.047 8.722 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.011 -0.813 9.454 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.788 1.839 10.346 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.861 1.933 8.964 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.916 0.592 10.024 1.00 0.00 H new ATOM 360 N THR A 24 -6.141 0.542 7.111 1.00 0.00 N ATOM 361 CA THR A 24 -6.449 0.558 5.687 1.00 0.00 C ATOM 362 C THR A 24 -6.387 1.980 5.153 1.00 0.00 C ATOM 363 O THR A 24 -6.900 2.906 5.772 1.00 0.00 O ATOM 364 CB THR A 24 -7.824 -0.051 5.414 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.321 -0.711 6.564 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.815 -1.049 4.278 1.00 0.00 C ATOM 0 H THR A 24 -6.893 0.867 7.719 1.00 0.00 H new ATOM 0 HA THR A 24 -5.703 -0.048 5.172 1.00 0.00 H new ATOM 0 HB THR A 24 -8.463 0.788 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.174 -1.676 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.820 -1.445 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.485 -0.556 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.134 -1.866 4.517 1.00 0.00 H new ATOM 374 N GLY A 25 -5.739 2.153 4.009 1.00 0.00 N ATOM 375 CA GLY A 25 -5.611 3.473 3.433 1.00 0.00 C ATOM 376 C GLY A 25 -6.531 3.684 2.254 1.00 0.00 C ATOM 377 O GLY A 25 -6.725 2.784 1.439 1.00 0.00 O ATOM 0 H GLY A 25 -5.301 1.404 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.827 4.221 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.580 3.629 3.117 1.00 0.00 H new ATOM 381 N LYS A 26 -7.094 4.881 2.165 1.00 0.00 N ATOM 382 CA LYS A 26 -7.999 5.218 1.077 1.00 0.00 C ATOM 383 C LYS A 26 -7.285 6.120 0.068 1.00 0.00 C ATOM 384 O LYS A 26 -6.647 7.102 0.445 1.00 0.00 O ATOM 385 CB LYS A 26 -9.267 5.880 1.645 1.00 0.00 C ATOM 386 CG LYS A 26 -9.387 7.374 1.387 1.00 0.00 C ATOM 387 CD LYS A 26 -10.010 7.661 0.030 1.00 0.00 C ATOM 388 CE LYS A 26 -11.095 8.722 0.128 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.795 8.920 -1.171 1.00 0.00 N ATOM 0 H LYS A 26 -6.939 5.635 2.834 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.303 4.313 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.139 5.383 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.296 5.710 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.992 7.831 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.400 7.833 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.237 7.992 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.433 6.743 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.818 8.432 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.653 9.665 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.823 8.929 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.501 9.826 -1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.551 8.144 -1.819 1.00 0.00 H new ATOM 403 N LEU A 27 -7.368 5.763 -1.212 1.00 0.00 N ATOM 404 CA LEU A 27 -6.697 6.532 -2.258 1.00 0.00 C ATOM 405 C LEU A 27 -7.684 7.263 -3.162 1.00 0.00 C ATOM 406 O LEU A 27 -8.825 6.838 -3.338 1.00 0.00 O ATOM 407 CB LEU A 27 -5.808 5.616 -3.104 1.00 0.00 C ATOM 408 CG LEU A 27 -4.758 6.340 -3.956 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.373 5.765 -3.706 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.113 6.251 -5.434 1.00 0.00 C ATOM 0 H LEU A 27 -7.889 4.953 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.085 7.283 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.298 4.917 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.444 5.025 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.750 7.391 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.644 6.293 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.115 5.883 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.367 4.706 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.356 6.771 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.152 5.205 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.085 6.714 -5.603 1.00 0.00 H new ATOM 422 N ARG A 28 -7.209 8.367 -3.737 1.00 0.00 N ATOM 423 CA ARG A 28 -7.994 9.202 -4.644 1.00 0.00 C ATOM 424 C ARG A 28 -7.349 10.578 -4.742 1.00 0.00 C ATOM 425 O ARG A 28 -7.938 11.588 -4.355 1.00 0.00 O ATOM 426 CB ARG A 28 -9.448 9.324 -4.170 1.00 0.00 C ATOM 427 CG ARG A 28 -10.424 8.498 -4.994 1.00 0.00 C ATOM 428 CD ARG A 28 -11.805 8.465 -4.360 1.00 0.00 C ATOM 429 NE ARG A 28 -12.201 7.110 -3.978 1.00 0.00 N ATOM 430 CZ ARG A 28 -13.233 6.836 -3.182 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.975 7.815 -2.681 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.522 5.577 -2.886 1.00 0.00 N ATOM 0 H ARG A 28 -6.260 8.710 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.009 8.734 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.510 9.012 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.748 10.371 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.495 8.913 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.045 7.481 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.815 9.107 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.535 8.872 -5.060 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.655 6.329 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.757 8.786 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.764 7.597 -2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.955 4.820 -3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.312 5.365 -2.277 1.00 0.00 H new ATOM 446 N GLY A 29 -6.108 10.601 -5.225 1.00 0.00 N ATOM 447 CA GLY A 29 -5.372 11.847 -5.321 1.00 0.00 C ATOM 448 C GLY A 29 -4.789 12.240 -3.974 1.00 0.00 C ATOM 449 O GLY A 29 -4.128 13.271 -3.843 1.00 0.00 O ATOM 0 H GLY A 29 -5.601 9.778 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.570 11.745 -6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.032 12.637 -5.680 1.00 0.00 H new ATOM 453 N ASN A 30 -5.053 11.403 -2.971 1.00 0.00 N ATOM 454 CA ASN A 30 -4.584 11.621 -1.615 1.00 0.00 C ATOM 455 C ASN A 30 -4.756 10.329 -0.817 1.00 0.00 C ATOM 456 O ASN A 30 -5.477 9.427 -1.244 1.00 0.00 O ATOM 457 CB ASN A 30 -5.372 12.778 -0.976 1.00 0.00 C ATOM 458 CG ASN A 30 -5.758 12.523 0.473 1.00 0.00 C ATOM 459 OD1 ASN A 30 -5.326 13.234 1.379 1.00 0.00 O ATOM 460 ND2 ASN A 30 -6.580 11.501 0.695 1.00 0.00 N ATOM 0 H ASN A 30 -5.602 10.551 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.528 11.892 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.774 13.688 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.276 12.956 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.876 11.282 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.915 10.937 -0.086 1.00 0.00 H new ATOM 467 N VAL A 31 -4.125 10.244 0.347 1.00 0.00 N ATOM 468 CA VAL A 31 -4.262 9.059 1.184 1.00 0.00 C ATOM 469 C VAL A 31 -5.028 9.376 2.460 1.00 0.00 C ATOM 470 O VAL A 31 -4.814 10.410 3.093 1.00 0.00 O ATOM 471 CB VAL A 31 -2.906 8.442 1.554 1.00 0.00 C ATOM 472 CG1 VAL A 31 -2.059 9.437 2.325 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.097 7.162 2.355 1.00 0.00 C ATOM 0 H VAL A 31 -3.521 10.971 0.730 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.818 8.332 0.591 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.382 8.190 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.102 8.981 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.888 10.322 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.577 9.724 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.123 6.742 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.644 7.384 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.661 6.442 1.762 1.00 0.00 H new ATOM 483 N ALA A 32 -5.918 8.470 2.826 1.00 0.00 N ATOM 484 CA ALA A 32 -6.730 8.625 4.029 1.00 0.00 C ATOM 485 C ALA A 32 -6.585 7.412 4.939 1.00 0.00 C ATOM 486 O ALA A 32 -6.069 6.374 4.524 1.00 0.00 O ATOM 487 CB ALA A 32 -8.190 8.851 3.670 1.00 0.00 C ATOM 0 H ALA A 32 -6.100 7.612 2.306 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.371 9.502 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.776 8.964 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.281 9.754 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.562 7.997 3.103 1.00 0.00 H new ATOM 493 N ALA A 33 -7.032 7.553 6.184 1.00 0.00 N ATOM 494 CA ALA A 33 -6.934 6.470 7.155 1.00 0.00 C ATOM 495 C ALA A 33 -8.279 5.786 7.375 1.00 0.00 C ATOM 496 O ALA A 33 -9.288 6.434 7.653 1.00 0.00 O ATOM 497 CB ALA A 33 -6.391 6.995 8.474 1.00 0.00 C ATOM 0 H ALA A 33 -7.464 8.405 6.542 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.246 5.726 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.323 6.177 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.401 7.422 8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.060 7.763 8.863 1.00 0.00 H new ATOM 503 N ASN A 34 -8.271 4.465 7.244 1.00 0.00 N ATOM 504 CA ASN A 34 -9.469 3.653 7.418 1.00 0.00 C ATOM 505 C ASN A 34 -9.311 2.710 8.606 1.00 0.00 C ATOM 506 O ASN A 34 -8.447 1.824 8.601 1.00 0.00 O ATOM 507 CB ASN A 34 -9.738 2.847 6.147 1.00 0.00 C ATOM 508 CG ASN A 34 -11.067 2.115 6.181 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.125 2.732 6.301 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.019 0.789 6.074 1.00 0.00 N ATOM 0 H ASN A 34 -7.435 3.927 7.015 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.313 4.315 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.720 3.517 5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.935 2.124 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.881 0.245 6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.120 0.317 5.976 1.00 0.00 H new ATOM 517 N LYS A 35 -10.147 2.915 9.621 1.00 0.00 N ATOM 518 CA LYS A 35 -10.116 2.098 10.830 1.00 0.00 C ATOM 519 C LYS A 35 -11.477 1.458 11.102 1.00 0.00 C ATOM 520 O LYS A 35 -11.559 0.388 11.704 1.00 0.00 O ATOM 521 CB LYS A 35 -9.694 2.953 12.030 1.00 0.00 C ATOM 522 CG LYS A 35 -8.508 2.393 12.797 1.00 0.00 C ATOM 523 CD LYS A 35 -8.483 2.896 14.232 1.00 0.00 C ATOM 524 CE LYS A 35 -7.415 3.960 14.432 1.00 0.00 C ATOM 525 NZ LYS A 35 -6.057 3.452 14.093 1.00 0.00 N ATOM 0 H LYS A 35 -10.859 3.646 9.629 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.389 1.300 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.448 3.956 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.540 3.051 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.553 1.304 12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.583 2.676 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.459 3.306 14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.297 2.061 14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.644 4.826 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.428 4.298 15.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.344 3.977 14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.996 2.441 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.881 3.583 13.076 1.00 0.00 H new ATOM 539 N GLU A 36 -12.546 2.122 10.660 1.00 0.00 N ATOM 540 CA GLU A 36 -13.902 1.616 10.865 1.00 0.00 C ATOM 541 C GLU A 36 -14.010 0.147 10.463 1.00 0.00 C ATOM 542 O GLU A 36 -14.110 -0.733 11.318 1.00 0.00 O ATOM 543 CB GLU A 36 -14.911 2.453 10.073 1.00 0.00 C ATOM 544 CG GLU A 36 -16.158 2.810 10.866 1.00 0.00 C ATOM 545 CD GLU A 36 -17.321 3.211 9.980 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.877 2.328 9.293 1.00 0.00 O ATOM 547 OE2 GLU A 36 -17.678 4.408 9.972 1.00 0.00 O ATOM 0 H GLU A 36 -12.498 3.009 10.159 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.131 1.696 11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.427 3.371 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.204 1.904 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.451 1.957 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.928 3.628 11.548 1.00 0.00 H new ATOM 554 N THR A 37 -13.983 -0.114 9.160 1.00 0.00 N ATOM 555 CA THR A 37 -14.072 -1.475 8.654 1.00 0.00 C ATOM 556 C THR A 37 -12.686 -2.112 8.592 1.00 0.00 C ATOM 557 O THR A 37 -12.138 -2.513 9.619 1.00 0.00 O ATOM 558 CB THR A 37 -14.743 -1.485 7.275 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.971 -0.758 6.335 1.00 0.00 O ATOM 560 CG2 THR A 37 -16.134 -0.890 7.280 1.00 0.00 C ATOM 0 H THR A 37 -13.900 0.601 8.437 1.00 0.00 H new ATOM 0 HA THR A 37 -14.684 -2.065 9.336 1.00 0.00 H new ATOM 0 HB THR A 37 -14.815 -2.537 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.415 -0.778 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.550 -0.929 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.771 -1.459 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.085 0.147 7.613 1.00 0.00 H new ATOM 568 N THR A 38 -12.123 -2.201 7.388 1.00 0.00 N ATOM 569 CA THR A 38 -10.803 -2.787 7.186 1.00 0.00 C ATOM 570 C THR A 38 -10.593 -3.095 5.701 1.00 0.00 C ATOM 571 O THR A 38 -10.496 -2.176 4.888 1.00 0.00 O ATOM 572 CB THR A 38 -10.624 -4.048 8.050 1.00 0.00 C ATOM 573 OG1 THR A 38 -9.559 -4.849 7.566 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.864 -4.915 8.113 1.00 0.00 C ATOM 0 H THR A 38 -12.567 -1.871 6.531 1.00 0.00 H new ATOM 0 HA THR A 38 -10.046 -2.068 7.500 1.00 0.00 H new ATOM 0 HB THR A 38 -10.410 -3.678 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.464 -5.643 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.668 -5.786 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.688 -4.342 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.131 -5.242 7.108 1.00 0.00 H new ATOM 582 N PHE A 39 -10.533 -4.379 5.345 1.00 0.00 N ATOM 583 CA PHE A 39 -10.336 -4.793 3.956 1.00 0.00 C ATOM 584 C PHE A 39 -10.125 -6.313 3.888 1.00 0.00 C ATOM 585 O PHE A 39 -10.400 -7.024 4.852 1.00 0.00 O ATOM 586 CB PHE A 39 -9.138 -4.039 3.342 1.00 0.00 C ATOM 587 CG PHE A 39 -7.861 -4.834 3.338 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.363 -5.358 4.519 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.174 -5.071 2.159 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.200 -6.102 4.527 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.011 -5.817 2.161 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.524 -6.332 3.347 1.00 0.00 C ATOM 0 H PHE A 39 -10.619 -5.153 6.003 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.225 -4.544 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.383 -3.757 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.978 -3.115 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.891 -5.183 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.551 -4.669 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.820 -6.503 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.483 -5.997 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.614 -6.914 3.350 1.00 0.00 H new ATOM 602 N GLN A 40 -9.623 -6.791 2.748 1.00 0.00 N ATOM 603 CA GLN A 40 -9.352 -8.219 2.527 1.00 0.00 C ATOM 604 C GLN A 40 -9.256 -8.520 1.033 1.00 0.00 C ATOM 605 O GLN A 40 -9.719 -9.559 0.561 1.00 0.00 O ATOM 606 CB GLN A 40 -10.438 -9.100 3.146 1.00 0.00 C ATOM 607 CG GLN A 40 -11.852 -8.723 2.729 1.00 0.00 C ATOM 608 CD GLN A 40 -12.681 -8.185 3.879 1.00 0.00 C ATOM 609 OE1 GLN A 40 -12.771 -8.804 4.940 1.00 0.00 O ATOM 610 NE2 GLN A 40 -13.299 -7.027 3.671 1.00 0.00 N ATOM 0 H GLN A 40 -9.391 -6.201 1.949 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.402 -8.445 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.252 -10.137 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.363 -9.043 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.805 -7.973 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.347 -9.598 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.197 -6.548 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.875 -6.617 4.406 1.00 0.00 H new ATOM 619 N GLY A 41 -8.668 -7.590 0.295 1.00 0.00 N ATOM 620 CA GLY A 41 -8.524 -7.737 -1.147 1.00 0.00 C ATOM 621 C GLY A 41 -9.812 -7.443 -1.910 1.00 0.00 C ATOM 622 O GLY A 41 -9.761 -7.048 -3.074 1.00 0.00 O ATOM 0 H GLY A 41 -8.282 -6.724 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.740 -7.066 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.199 -8.753 -1.372 1.00 0.00 H new ATOM 626 N LEU A 42 -10.964 -7.628 -1.253 1.00 0.00 N ATOM 627 CA LEU A 42 -12.277 -7.383 -1.859 1.00 0.00 C ATOM 628 C LEU A 42 -12.247 -6.238 -2.873 1.00 0.00 C ATOM 629 O LEU A 42 -11.667 -5.183 -2.620 1.00 0.00 O ATOM 630 CB LEU A 42 -13.296 -7.076 -0.761 1.00 0.00 C ATOM 631 CG LEU A 42 -14.320 -8.179 -0.491 1.00 0.00 C ATOM 632 CD1 LEU A 42 -13.617 -9.506 -0.245 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.191 -7.807 0.700 1.00 0.00 C ATOM 0 H LEU A 42 -11.011 -7.952 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.564 -8.285 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.757 -6.869 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.831 -6.165 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.959 -8.286 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.359 -10.281 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.029 -9.775 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.958 -9.414 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.916 -8.600 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.565 -7.678 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.717 -6.876 0.489 1.00 0.00 H new ATOM 645 N THR A 43 -12.880 -6.459 -4.022 1.00 0.00 N ATOM 646 CA THR A 43 -12.928 -5.454 -5.079 1.00 0.00 C ATOM 647 C THR A 43 -14.210 -4.626 -5.004 1.00 0.00 C ATOM 648 O THR A 43 -14.771 -4.240 -6.029 1.00 0.00 O ATOM 649 CB THR A 43 -12.823 -6.126 -6.448 1.00 0.00 C ATOM 650 OG1 THR A 43 -11.867 -7.171 -6.426 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.431 -5.171 -7.548 1.00 0.00 C ATOM 0 H THR A 43 -13.367 -7.327 -4.245 1.00 0.00 H new ATOM 0 HA THR A 43 -12.082 -4.781 -4.939 1.00 0.00 H new ATOM 0 HB THR A 43 -13.821 -6.512 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.261 -7.076 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.374 -5.709 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.176 -4.380 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.459 -4.733 -7.320 1.00 0.00 H new ATOM 659 N ILE A 44 -14.663 -4.357 -3.782 1.00 0.00 N ATOM 660 CA ILE A 44 -15.879 -3.573 -3.557 1.00 0.00 C ATOM 661 C ILE A 44 -17.133 -4.297 -4.061 1.00 0.00 C ATOM 662 O ILE A 44 -18.245 -3.783 -3.939 1.00 0.00 O ATOM 663 CB ILE A 44 -15.775 -2.186 -4.229 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.633 -1.389 -3.601 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.085 -1.416 -4.107 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.289 -1.642 -4.244 1.00 0.00 C ATOM 0 H ILE A 44 -14.205 -4.672 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.973 -3.444 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.570 -2.334 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.864 -0.326 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.571 -1.635 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.982 -0.444 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.884 -1.978 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.327 -1.275 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.528 -1.042 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.035 -2.698 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.333 -1.369 -5.298 1.00 0.00 H new ATOM 678 N ALA A 45 -16.957 -5.492 -4.613 1.00 0.00 N ATOM 679 CA ALA A 45 -18.082 -6.269 -5.114 1.00 0.00 C ATOM 680 C ALA A 45 -18.873 -6.878 -3.963 1.00 0.00 C ATOM 681 O ALA A 45 -20.065 -7.159 -4.093 1.00 0.00 O ATOM 682 CB ALA A 45 -17.587 -7.357 -6.055 1.00 0.00 C ATOM 0 H ALA A 45 -16.048 -5.942 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.745 -5.603 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.436 -7.933 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.065 -6.901 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.905 -8.018 -5.520 1.00 0.00 H new ATOM 688 N SER A 46 -18.200 -7.080 -2.834 1.00 0.00 N ATOM 689 CA SER A 46 -18.838 -7.657 -1.655 1.00 0.00 C ATOM 690 C SER A 46 -19.186 -6.578 -0.634 1.00 0.00 C ATOM 691 O SER A 46 -20.358 -6.322 -0.362 1.00 0.00 O ATOM 692 CB SER A 46 -17.922 -8.703 -1.017 1.00 0.00 C ATOM 693 OG SER A 46 -18.319 -8.988 0.314 1.00 0.00 O ATOM 0 H SER A 46 -17.213 -6.853 -2.711 1.00 0.00 H new ATOM 0 HA SER A 46 -19.763 -8.137 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.942 -9.618 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.894 -8.342 -1.023 1.00 0.00 H new ATOM 0 HG SER A 46 -17.825 -9.768 0.643 1.00 0.00 H new ATOM 699 N GLY A 47 -18.159 -5.951 -0.069 1.00 0.00 N ATOM 700 CA GLY A 47 -18.379 -4.911 0.919 1.00 0.00 C ATOM 701 C GLY A 47 -17.107 -4.166 1.274 1.00 0.00 C ATOM 702 O GLY A 47 -16.762 -4.037 2.449 1.00 0.00 O ATOM 0 H GLY A 47 -17.179 -6.144 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.116 -4.204 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.799 -5.355 1.821 1.00 0.00 H new ATOM 706 N ALA A 48 -16.409 -3.675 0.257 1.00 0.00 N ATOM 707 CA ALA A 48 -15.169 -2.937 0.466 1.00 0.00 C ATOM 708 C ALA A 48 -15.325 -1.478 0.063 1.00 0.00 C ATOM 709 O ALA A 48 -16.397 -1.049 -0.364 1.00 0.00 O ATOM 710 CB ALA A 48 -14.037 -3.574 -0.326 1.00 0.00 C ATOM 0 H ALA A 48 -16.681 -3.775 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.930 -2.976 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.117 -3.013 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.898 -4.604 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.284 -3.562 -1.388 1.00 0.00 H new ATOM 716 N ARG A 49 -14.241 -0.725 0.191 1.00 0.00 N ATOM 717 CA ARG A 49 -14.238 0.685 -0.171 1.00 0.00 C ATOM 718 C ARG A 49 -13.482 0.880 -1.480 1.00 0.00 C ATOM 719 O ARG A 49 -12.333 0.455 -1.606 1.00 0.00 O ATOM 720 CB ARG A 49 -13.590 1.542 0.931 1.00 0.00 C ATOM 721 CG ARG A 49 -13.538 0.884 2.307 1.00 0.00 C ATOM 722 CD ARG A 49 -14.811 1.132 3.101 1.00 0.00 C ATOM 723 NE ARG A 49 -14.532 1.766 4.388 1.00 0.00 N ATOM 724 CZ ARG A 49 -15.471 2.108 5.268 1.00 0.00 C ATOM 725 NH1 ARG A 49 -16.751 1.875 5.008 1.00 0.00 N ATOM 726 NH2 ARG A 49 -15.127 2.683 6.412 1.00 0.00 N ATOM 0 H ARG A 49 -13.348 -1.070 0.545 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.273 1.006 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.574 1.794 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.140 2.480 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.385 -0.189 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.683 1.269 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.483 1.765 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.327 0.186 3.266 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.559 1.958 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.021 1.431 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.466 2.139 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.144 2.863 6.617 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.845 2.946 7.087 1.00 0.00 H new ATOM 740 N GLU A 50 -14.121 1.525 -2.456 1.00 0.00 N ATOM 741 CA GLU A 50 -13.483 1.767 -3.750 1.00 0.00 C ATOM 742 C GLU A 50 -12.069 2.310 -3.555 1.00 0.00 C ATOM 743 O GLU A 50 -11.187 2.098 -4.390 1.00 0.00 O ATOM 744 CB GLU A 50 -14.315 2.744 -4.586 1.00 0.00 C ATOM 745 CG GLU A 50 -14.505 2.299 -6.029 1.00 0.00 C ATOM 746 CD GLU A 50 -15.925 1.854 -6.323 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.862 2.632 -6.044 1.00 0.00 O ATOM 748 OE2 GLU A 50 -16.100 0.728 -6.835 1.00 0.00 O ATOM 0 H GLU A 50 -15.071 1.887 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.422 0.819 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.293 2.867 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.832 3.721 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.241 3.120 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.820 1.479 -6.245 1.00 0.00 H new ATOM 755 N SER A 51 -11.864 3.000 -2.438 1.00 0.00 N ATOM 756 CA SER A 51 -10.565 3.568 -2.113 1.00 0.00 C ATOM 757 C SER A 51 -9.500 2.480 -2.030 1.00 0.00 C ATOM 758 O SER A 51 -8.547 2.480 -2.809 1.00 0.00 O ATOM 759 CB SER A 51 -10.641 4.328 -0.793 1.00 0.00 C ATOM 760 OG SER A 51 -10.820 3.441 0.298 1.00 0.00 O ATOM 0 H SER A 51 -12.586 3.179 -1.741 1.00 0.00 H new ATOM 0 HA SER A 51 -10.286 4.259 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.728 4.906 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.466 5.039 -0.826 1.00 0.00 H new ATOM 0 HG SER A 51 -9.945 3.161 0.639 1.00 0.00 H new ATOM 766 N GLU A 52 -9.667 1.549 -1.085 1.00 0.00 N ATOM 767 CA GLU A 52 -8.717 0.453 -0.914 1.00 0.00 C ATOM 768 C GLU A 52 -8.306 -0.112 -2.270 1.00 0.00 C ATOM 769 O GLU A 52 -7.127 -0.130 -2.622 1.00 0.00 O ATOM 770 CB GLU A 52 -9.330 -0.656 -0.058 1.00 0.00 C ATOM 771 CG GLU A 52 -10.173 -0.159 1.111 1.00 0.00 C ATOM 772 CD GLU A 52 -9.492 0.929 1.922 1.00 0.00 C ATOM 773 OE1 GLU A 52 -9.008 1.909 1.321 1.00 0.00 O ATOM 774 OE2 GLU A 52 -9.450 0.802 3.161 1.00 0.00 O ATOM 0 H GLU A 52 -10.449 1.535 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.833 0.843 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.950 -1.288 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.528 -1.284 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.121 0.221 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.405 -0.999 1.766 1.00 0.00 H new ATOM 781 N LYS A 53 -9.301 -0.556 -3.028 1.00 0.00 N ATOM 782 CA LYS A 53 -9.080 -1.110 -4.360 1.00 0.00 C ATOM 783 C LYS A 53 -8.146 -0.214 -5.175 1.00 0.00 C ATOM 784 O LYS A 53 -7.057 -0.634 -5.577 1.00 0.00 O ATOM 785 CB LYS A 53 -10.433 -1.269 -5.069 1.00 0.00 C ATOM 786 CG LYS A 53 -10.361 -1.343 -6.590 1.00 0.00 C ATOM 787 CD LYS A 53 -11.305 -0.338 -7.236 1.00 0.00 C ATOM 788 CE LYS A 53 -12.142 -0.976 -8.334 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.958 0.033 -9.065 1.00 0.00 N ATOM 0 H LYS A 53 -10.279 -0.543 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.603 -2.086 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.915 -2.174 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.072 -0.431 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.340 -1.149 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.616 -2.350 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.963 0.084 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.728 0.488 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.487 -1.492 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.799 -1.729 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.514 -0.441 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.601 0.508 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.330 0.737 -9.502 1.00 0.00 H new ATOM 803 N VAL A 54 -8.577 1.022 -5.415 1.00 0.00 N ATOM 804 CA VAL A 54 -7.776 1.970 -6.181 1.00 0.00 C ATOM 805 C VAL A 54 -6.351 2.034 -5.643 1.00 0.00 C ATOM 806 O VAL A 54 -5.386 1.971 -6.405 1.00 0.00 O ATOM 807 CB VAL A 54 -8.393 3.381 -6.159 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.625 4.315 -7.085 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.866 3.328 -6.541 1.00 0.00 C ATOM 0 H VAL A 54 -9.472 1.388 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.759 1.614 -7.211 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.320 3.773 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.075 5.307 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.587 4.378 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.662 3.929 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.284 4.334 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.967 2.914 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.403 2.697 -5.833 1.00 0.00 H new ATOM 819 N PHE A 55 -6.225 2.142 -4.324 1.00 0.00 N ATOM 820 CA PHE A 55 -4.915 2.196 -3.690 1.00 0.00 C ATOM 821 C PHE A 55 -4.114 0.941 -4.021 1.00 0.00 C ATOM 822 O PHE A 55 -2.892 0.990 -4.158 1.00 0.00 O ATOM 823 CB PHE A 55 -5.055 2.343 -2.170 1.00 0.00 C ATOM 824 CG PHE A 55 -3.921 3.094 -1.518 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.724 3.306 -2.187 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.057 3.589 -0.230 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.688 3.994 -1.585 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.023 4.277 0.377 1.00 0.00 C ATOM 829 CZ PHE A 55 -1.837 4.480 -0.302 1.00 0.00 C ATOM 0 H PHE A 55 -7.012 2.194 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.385 3.066 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.991 2.856 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.123 1.351 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.601 2.928 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.982 3.435 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.762 4.151 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.142 4.656 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.028 5.018 0.170 1.00 0.00 H new ATOM 839 N ALA A 56 -4.812 -0.184 -4.159 1.00 0.00 N ATOM 840 CA ALA A 56 -4.161 -1.447 -4.483 1.00 0.00 C ATOM 841 C ALA A 56 -3.593 -1.417 -5.894 1.00 0.00 C ATOM 842 O ALA A 56 -2.468 -1.856 -6.133 1.00 0.00 O ATOM 843 CB ALA A 56 -5.136 -2.605 -4.326 1.00 0.00 C ATOM 0 H ALA A 56 -5.824 -0.245 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.335 -1.592 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.633 -3.540 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.492 -2.644 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.983 -2.461 -4.997 1.00 0.00 H new ATOM 849 N GLN A 57 -4.379 -0.896 -6.826 1.00 0.00 N ATOM 850 CA GLN A 57 -3.955 -0.806 -8.217 1.00 0.00 C ATOM 851 C GLN A 57 -2.805 0.186 -8.377 1.00 0.00 C ATOM 852 O GLN A 57 -1.922 0.002 -9.217 1.00 0.00 O ATOM 853 CB GLN A 57 -5.129 -0.375 -9.099 1.00 0.00 C ATOM 854 CG GLN A 57 -6.167 -1.463 -9.309 1.00 0.00 C ATOM 855 CD GLN A 57 -5.653 -2.601 -10.168 1.00 0.00 C ATOM 856 OE1 GLN A 57 -4.476 -2.640 -10.529 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.534 -3.537 -10.500 1.00 0.00 N ATOM 0 H GLN A 57 -5.313 -0.529 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.609 -1.792 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.611 0.492 -8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.746 -0.059 -10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.478 -1.855 -8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.052 -1.031 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.500 -3.465 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.245 -4.328 -11.076 1.00 0.00 H new ATOM 866 N THR A 58 -2.825 1.239 -7.565 1.00 0.00 N ATOM 867 CA THR A 58 -1.793 2.266 -7.621 1.00 0.00 C ATOM 868 C THR A 58 -0.517 1.796 -6.941 1.00 0.00 C ATOM 869 O THR A 58 0.585 2.033 -7.437 1.00 0.00 O ATOM 870 CB THR A 58 -2.291 3.555 -6.967 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.942 3.276 -5.741 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.257 4.331 -7.836 1.00 0.00 C ATOM 0 H THR A 58 -3.545 1.402 -6.861 1.00 0.00 H new ATOM 0 HA THR A 58 -1.569 2.462 -8.670 1.00 0.00 H new ATOM 0 HB THR A 58 -1.400 4.163 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.852 2.958 -5.919 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.572 5.234 -7.313 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.767 4.605 -8.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.129 3.714 -8.051 1.00 0.00 H new ATOM 880 N VAL A 59 -0.668 1.126 -5.805 1.00 0.00 N ATOM 881 CA VAL A 59 0.471 0.628 -5.074 1.00 0.00 C ATOM 882 C VAL A 59 1.078 -0.576 -5.785 1.00 0.00 C ATOM 883 O VAL A 59 2.286 -0.788 -5.729 1.00 0.00 O ATOM 884 CB VAL A 59 0.096 0.261 -3.625 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.512 1.459 -2.910 1.00 0.00 C ATOM 886 CG2 VAL A 59 -0.844 -0.936 -3.572 1.00 0.00 C ATOM 0 H VAL A 59 -1.571 0.920 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 59 1.213 1.426 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 59 1.013 -0.023 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.770 1.180 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.209 2.276 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.411 1.780 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.085 -1.164 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.760 -0.703 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.360 -1.799 -4.030 1.00 0.00 H new ATOM 896 N LEU A 60 0.236 -1.352 -6.473 1.00 0.00 N ATOM 897 CA LEU A 60 0.708 -2.516 -7.210 1.00 0.00 C ATOM 898 C LEU A 60 1.353 -2.080 -8.521 1.00 0.00 C ATOM 899 O LEU A 60 2.355 -2.650 -8.953 1.00 0.00 O ATOM 900 CB LEU A 60 -0.446 -3.480 -7.490 1.00 0.00 C ATOM 901 CG LEU A 60 -0.082 -4.687 -8.357 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.514 -5.797 -7.505 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.304 -5.186 -9.114 1.00 0.00 C ATOM 0 H LEU A 60 -0.770 -1.192 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 60 1.451 -3.032 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.839 -3.840 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.250 -2.929 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 60 0.668 -4.376 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.766 -6.647 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.415 -5.433 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.211 -6.108 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.027 -6.045 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.077 -5.480 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.684 -4.391 -9.755 1.00 0.00 H new ATOM 915 N SER A 61 0.771 -1.062 -9.149 1.00 0.00 N ATOM 916 CA SER A 61 1.294 -0.547 -10.407 1.00 0.00 C ATOM 917 C SER A 61 2.646 0.122 -10.197 1.00 0.00 C ATOM 918 O SER A 61 3.623 -0.213 -10.867 1.00 0.00 O ATOM 919 CB SER A 61 0.308 0.440 -11.026 1.00 0.00 C ATOM 920 OG SER A 61 0.940 1.256 -11.997 1.00 0.00 O ATOM 0 H SER A 61 -0.060 -0.580 -8.807 1.00 0.00 H new ATOM 0 HA SER A 61 1.428 -1.386 -11.090 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.516 -0.105 -11.486 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.122 1.067 -10.245 1.00 0.00 H new ATOM 0 HG SER A 61 0.285 1.878 -12.378 1.00 0.00 H new ATOM 926 N HIS A 62 2.704 1.065 -9.255 1.00 0.00 N ATOM 927 CA HIS A 62 3.946 1.767 -8.956 1.00 0.00 C ATOM 928 C HIS A 62 5.089 0.771 -8.800 1.00 0.00 C ATOM 929 O HIS A 62 6.145 0.922 -9.415 1.00 0.00 O ATOM 930 CB HIS A 62 3.794 2.598 -7.681 1.00 0.00 C ATOM 931 CG HIS A 62 3.541 4.051 -7.942 1.00 0.00 C ATOM 932 ND1 HIS A 62 4.283 4.797 -8.833 1.00 0.00 N ATOM 933 CD2 HIS A 62 2.618 4.895 -7.424 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.829 6.038 -8.851 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.819 6.123 -8.005 1.00 0.00 N ATOM 0 H HIS A 62 1.907 1.357 -8.690 1.00 0.00 H new ATOM 0 HA HIS A 62 4.174 2.438 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.972 2.195 -7.090 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.698 2.497 -7.081 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.864 4.649 -6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.218 6.845 -9.455 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.276 6.965 -7.814 1.00 0.00 H new ATOM 944 N VAL A 63 4.866 -0.254 -7.981 1.00 0.00 N ATOM 945 CA VAL A 63 5.889 -1.275 -7.766 1.00 0.00 C ATOM 946 C VAL A 63 6.111 -2.111 -9.021 1.00 0.00 C ATOM 947 O VAL A 63 7.120 -1.956 -9.709 1.00 0.00 O ATOM 948 CB VAL A 63 5.580 -2.223 -6.579 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.034 -1.594 -5.280 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.107 -2.613 -6.498 1.00 0.00 C ATOM 0 H VAL A 63 4.000 -0.399 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 63 6.795 -0.721 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 63 6.136 -3.144 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.812 -2.268 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.108 -1.410 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.510 -0.650 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.953 -3.277 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.500 -1.717 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.815 -3.124 -7.415 1.00 0.00 H new ATOM 960 N ALA A 64 5.169 -3.001 -9.314 1.00 0.00 N ATOM 961 CA ALA A 64 5.269 -3.859 -10.480 1.00 0.00 C ATOM 962 C ALA A 64 6.511 -4.754 -10.414 1.00 0.00 C ATOM 963 O ALA A 64 6.896 -5.348 -11.420 1.00 0.00 O ATOM 964 CB ALA A 64 5.294 -3.017 -11.747 1.00 0.00 C ATOM 0 H ALA A 64 4.327 -3.144 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 64 4.393 -4.507 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.369 -3.670 -12.616 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.378 -2.430 -11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.153 -2.347 -11.721 1.00 0.00 H new ATOM 970 N ASN A 65 7.140 -4.844 -9.227 1.00 0.00 N ATOM 971 CA ASN A 65 8.347 -5.666 -9.041 1.00 0.00 C ATOM 972 C ASN A 65 9.141 -5.232 -7.806 1.00 0.00 C ATOM 973 O ASN A 65 9.262 -5.982 -6.838 1.00 0.00 O ATOM 974 CB ASN A 65 9.256 -5.575 -10.270 1.00 0.00 C ATOM 975 CG ASN A 65 9.261 -6.851 -11.098 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.129 -7.550 -11.135 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 10.274 -7.204 -11.701 1.00 0.00 N flip ATOM 0 H ASN A 65 6.832 -4.358 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 65 8.014 -6.694 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.931 -4.743 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.273 -5.353 -9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.122 -6.640 -11.647 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.265 -8.061 -12.255 1.00 0.00 H new ATOM 984 N VAL A 66 9.694 -4.019 -7.868 1.00 0.00 N ATOM 985 CA VAL A 66 10.501 -3.455 -6.781 1.00 0.00 C ATOM 986 C VAL A 66 11.562 -4.442 -6.272 1.00 0.00 C ATOM 987 O VAL A 66 12.342 -4.967 -7.067 1.00 0.00 O ATOM 988 CB VAL A 66 9.627 -2.949 -5.617 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.876 -1.702 -6.031 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.663 -4.023 -5.141 1.00 0.00 C ATOM 0 H VAL A 66 9.596 -3.399 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 66 11.024 -2.598 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 66 10.284 -2.703 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.262 -1.354 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.587 -0.924 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.237 -1.929 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.061 -3.634 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.009 -4.315 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.226 -4.891 -4.799 1.00 0.00 H new ATOM 1000 N VAL A 67 11.614 -4.692 -4.956 1.00 0.00 N ATOM 1001 CA VAL A 67 12.618 -5.615 -4.414 1.00 0.00 C ATOM 1002 C VAL A 67 12.444 -5.880 -2.919 1.00 0.00 C ATOM 1003 O VAL A 67 12.952 -6.873 -2.401 1.00 0.00 O ATOM 1004 CB VAL A 67 14.049 -5.107 -4.678 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.401 -3.954 -3.749 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.051 -6.242 -4.535 1.00 0.00 C ATOM 0 H VAL A 67 10.989 -4.279 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 67 12.461 -6.557 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 67 14.094 -4.735 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.416 -3.616 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.704 -3.131 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.335 -4.288 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.056 -5.866 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.000 -6.647 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.816 -7.027 -5.253 1.00 0.00 H new ATOM 1016 N LEU A 68 11.717 -5.002 -2.245 1.00 0.00 N ATOM 1017 CA LEU A 68 11.436 -5.133 -0.812 1.00 0.00 C ATOM 1018 C LEU A 68 12.565 -5.787 -0.021 1.00 0.00 C ATOM 1019 O LEU A 68 12.728 -7.004 -0.052 1.00 0.00 O ATOM 1020 CB LEU A 68 10.163 -5.958 -0.617 1.00 0.00 C ATOM 1021 CG LEU A 68 8.956 -5.494 -1.423 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.909 -6.210 -2.762 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.670 -5.728 -0.644 1.00 0.00 C ATOM 0 H LEU A 68 11.301 -4.174 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 68 11.321 -4.119 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.378 -6.994 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.900 -5.945 0.441 1.00 0.00 H new ATOM 0 HG LEU A 68 9.053 -4.424 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.042 -5.869 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.817 -5.991 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.835 -7.285 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.819 -5.390 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.563 -6.791 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.705 -5.170 0.292 1.00 0.00 H new ATOM 1035 N THR A 69 13.306 -4.985 0.731 1.00 0.00 N ATOM 1036 CA THR A 69 14.374 -5.519 1.563 1.00 0.00 C ATOM 1037 C THR A 69 13.762 -6.391 2.660 1.00 0.00 C ATOM 1038 O THR A 69 12.670 -6.932 2.483 1.00 0.00 O ATOM 1039 CB THR A 69 15.200 -4.382 2.170 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.483 -3.737 3.208 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.600 -3.326 1.161 1.00 0.00 C ATOM 0 H THR A 69 13.189 -3.973 0.782 1.00 0.00 H new ATOM 0 HA THR A 69 15.043 -6.126 0.953 1.00 0.00 H new ATOM 0 HB THR A 69 16.104 -4.856 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.029 -3.015 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.183 -2.550 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.200 -3.783 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.705 -2.883 0.724 1.00 0.00 H new ATOM 1049 N GLN A 70 14.444 -6.522 3.792 1.00 0.00 N ATOM 1050 CA GLN A 70 13.920 -7.326 4.894 1.00 0.00 C ATOM 1051 C GLN A 70 12.694 -6.649 5.501 1.00 0.00 C ATOM 1052 O GLN A 70 11.751 -7.314 5.945 1.00 0.00 O ATOM 1053 CB GLN A 70 14.982 -7.542 5.985 1.00 0.00 C ATOM 1054 CG GLN A 70 16.419 -7.437 5.495 1.00 0.00 C ATOM 1055 CD GLN A 70 16.987 -6.043 5.671 1.00 0.00 C ATOM 1056 OE1 GLN A 70 16.910 -5.461 6.753 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.563 -5.501 4.606 1.00 0.00 N ATOM 0 H GLN A 70 15.350 -6.089 3.972 1.00 0.00 H new ATOM 0 HA GLN A 70 13.639 -8.299 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.827 -6.809 6.776 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.834 -8.526 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.039 -8.151 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.462 -7.714 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.604 -6.020 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.965 -4.565 4.664 1.00 0.00 H new ATOM 1066 N GLU A 71 12.718 -5.318 5.516 1.00 0.00 N ATOM 1067 CA GLU A 71 11.620 -4.537 6.072 1.00 0.00 C ATOM 1068 C GLU A 71 10.335 -4.741 5.277 1.00 0.00 C ATOM 1069 O GLU A 71 9.366 -5.297 5.791 1.00 0.00 O ATOM 1070 CB GLU A 71 11.988 -3.051 6.094 1.00 0.00 C ATOM 1071 CG GLU A 71 10.896 -2.160 6.664 1.00 0.00 C ATOM 1072 CD GLU A 71 11.249 -1.601 8.029 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.678 -2.387 8.899 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.094 -0.378 8.227 1.00 0.00 O ATOM 0 H GLU A 71 13.488 -4.759 5.148 1.00 0.00 H new ATOM 0 HA GLU A 71 11.447 -4.882 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.896 -2.919 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.216 -2.727 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.709 -1.336 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.970 -2.730 6.738 1.00 0.00 H new ATOM 1081 N ASP A 72 10.331 -4.295 4.021 1.00 0.00 N ATOM 1082 CA ASP A 72 9.154 -4.436 3.169 1.00 0.00 C ATOM 1083 C ASP A 72 8.647 -5.876 3.173 1.00 0.00 C ATOM 1084 O ASP A 72 7.445 -6.120 3.078 1.00 0.00 O ATOM 1085 CB ASP A 72 9.459 -3.985 1.747 1.00 0.00 C ATOM 1086 CG ASP A 72 9.595 -2.480 1.630 1.00 0.00 C ATOM 1087 OD1 ASP A 72 10.340 -1.886 2.438 1.00 0.00 O ATOM 1088 OD2 ASP A 72 8.957 -1.896 0.732 1.00 0.00 O ATOM 0 H ASP A 72 11.125 -3.836 3.575 1.00 0.00 H new ATOM 0 HA ASP A 72 8.370 -3.796 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.382 -4.457 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.665 -4.327 1.083 1.00 0.00 H new ATOM 1093 N THR A 73 9.565 -6.829 3.309 1.00 0.00 N ATOM 1094 CA THR A 73 9.190 -8.238 3.357 1.00 0.00 C ATOM 1095 C THR A 73 8.313 -8.480 4.577 1.00 0.00 C ATOM 1096 O THR A 73 7.133 -8.810 4.448 1.00 0.00 O ATOM 1097 CB THR A 73 10.432 -9.125 3.404 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.209 -8.963 2.231 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.110 -10.595 3.542 1.00 0.00 C ATOM 0 H THR A 73 10.567 -6.653 3.387 1.00 0.00 H new ATOM 0 HA THR A 73 8.633 -8.493 2.455 1.00 0.00 H new ATOM 0 HB THR A 73 10.983 -8.805 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.488 -8.027 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.036 -11.169 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.553 -10.760 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.508 -10.917 2.692 1.00 0.00 H new ATOM 1107 N ALA A 74 8.879 -8.271 5.766 1.00 0.00 N ATOM 1108 CA ALA A 74 8.110 -8.428 6.995 1.00 0.00 C ATOM 1109 C ALA A 74 6.909 -7.485 6.960 1.00 0.00 C ATOM 1110 O ALA A 74 5.888 -7.721 7.606 1.00 0.00 O ATOM 1111 CB ALA A 74 8.979 -8.145 8.212 1.00 0.00 C ATOM 0 H ALA A 74 9.852 -7.997 5.901 1.00 0.00 H new ATOM 0 HA ALA A 74 7.758 -9.457 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.386 -8.268 9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.818 -8.841 8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.356 -7.124 8.160 1.00 0.00 H new ATOM 1117 N LYS A 75 7.055 -6.420 6.174 1.00 0.00 N ATOM 1118 CA LYS A 75 6.016 -5.416 5.992 1.00 0.00 C ATOM 1119 C LYS A 75 4.728 -6.064 5.481 1.00 0.00 C ATOM 1120 O LYS A 75 3.712 -6.093 6.184 1.00 0.00 O ATOM 1121 CB LYS A 75 6.522 -4.381 4.990 1.00 0.00 C ATOM 1122 CG LYS A 75 6.056 -2.961 5.236 1.00 0.00 C ATOM 1123 CD LYS A 75 7.042 -2.186 6.089 1.00 0.00 C ATOM 1124 CE LYS A 75 8.129 -1.546 5.243 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.648 -0.294 5.860 1.00 0.00 N ATOM 0 H LYS A 75 7.905 -6.231 5.643 1.00 0.00 H new ATOM 0 HA LYS A 75 5.793 -4.937 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.612 -4.395 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.206 -4.682 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.922 -2.452 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.084 -2.977 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.513 -1.414 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.496 -2.855 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.949 -2.252 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.734 -1.325 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.434 0.075 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.887 0.414 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.986 -0.496 6.823 1.00 0.00 H new ATOM 1139 N LEU A 76 4.782 -6.606 4.260 1.00 0.00 N ATOM 1140 CA LEU A 76 3.622 -7.273 3.677 1.00 0.00 C ATOM 1141 C LEU A 76 3.221 -8.445 4.555 1.00 0.00 C ATOM 1142 O LEU A 76 2.041 -8.678 4.807 1.00 0.00 O ATOM 1143 CB LEU A 76 3.920 -7.783 2.267 1.00 0.00 C ATOM 1144 CG LEU A 76 3.780 -6.744 1.155 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.058 -6.673 0.333 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.585 -7.069 0.268 1.00 0.00 C ATOM 0 H LEU A 76 5.610 -6.595 3.664 1.00 0.00 H new ATOM 0 HA LEU A 76 2.811 -6.548 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.936 -8.177 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.251 -8.616 2.050 1.00 0.00 H new ATOM 0 HG LEU A 76 3.610 -5.768 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.943 -5.929 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.891 -6.393 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.258 -7.647 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.501 -6.319 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.723 -8.052 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.675 -7.069 0.869 1.00 0.00 H new ATOM 1158 N LEU A 77 4.228 -9.177 5.019 1.00 0.00 N ATOM 1159 CA LEU A 77 4.011 -10.332 5.877 1.00 0.00 C ATOM 1160 C LEU A 77 3.174 -9.955 7.088 1.00 0.00 C ATOM 1161 O LEU A 77 2.350 -10.739 7.558 1.00 0.00 O ATOM 1162 CB LEU A 77 5.353 -10.904 6.335 1.00 0.00 C ATOM 1163 CG LEU A 77 5.687 -12.275 5.754 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.045 -12.254 5.069 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.649 -13.343 6.837 1.00 0.00 C ATOM 0 H LEU A 77 5.209 -8.987 4.812 1.00 0.00 H new ATOM 0 HA LEU A 77 3.473 -11.087 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.144 -10.205 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.351 -10.975 7.423 1.00 0.00 H new ATOM 0 HG LEU A 77 4.932 -12.520 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.263 -13.242 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.033 -11.523 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.813 -11.982 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.890 -14.312 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.378 -13.102 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.652 -13.381 7.276 1.00 0.00 H new ATOM 1177 N GLN A 78 3.398 -8.750 7.594 1.00 0.00 N ATOM 1178 CA GLN A 78 2.672 -8.274 8.756 1.00 0.00 C ATOM 1179 C GLN A 78 1.249 -7.871 8.393 1.00 0.00 C ATOM 1180 O GLN A 78 0.285 -8.429 8.916 1.00 0.00 O ATOM 1181 CB GLN A 78 3.404 -7.094 9.395 1.00 0.00 C ATOM 1182 CG GLN A 78 4.508 -7.512 10.352 1.00 0.00 C ATOM 1183 CD GLN A 78 5.089 -6.341 11.118 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.967 -6.262 12.340 1.00 0.00 O ATOM 1185 NE2 GLN A 78 5.726 -5.423 10.401 1.00 0.00 N ATOM 0 H GLN A 78 4.076 -8.088 7.217 1.00 0.00 H new ATOM 0 HA GLN A 78 2.620 -9.092 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.832 -6.473 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.683 -6.477 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.114 -8.244 11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.302 -8.005 9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.803 -5.529 9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.138 -4.612 10.862 1.00 0.00 H new ATOM 1194 N SER A 79 1.121 -6.897 7.500 1.00 0.00 N ATOM 1195 CA SER A 79 -0.194 -6.424 7.080 1.00 0.00 C ATOM 1196 C SER A 79 -1.014 -7.552 6.458 1.00 0.00 C ATOM 1197 O SER A 79 -2.241 -7.574 6.567 1.00 0.00 O ATOM 1198 CB SER A 79 -0.053 -5.273 6.084 1.00 0.00 C ATOM 1199 OG SER A 79 1.285 -5.143 5.636 1.00 0.00 O ATOM 0 H SER A 79 1.906 -6.421 7.055 1.00 0.00 H new ATOM 0 HA SER A 79 -0.719 -6.068 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.710 -5.444 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.375 -4.342 6.552 1.00 0.00 H new ATOM 0 HG SER A 79 1.319 -5.273 4.665 1.00 0.00 H new ATOM 1205 N THR A 80 -0.331 -8.483 5.801 1.00 0.00 N ATOM 1206 CA THR A 80 -0.995 -9.610 5.154 1.00 0.00 C ATOM 1207 C THR A 80 -1.360 -10.694 6.164 1.00 0.00 C ATOM 1208 O THR A 80 -2.530 -11.042 6.320 1.00 0.00 O ATOM 1209 CB THR A 80 -0.097 -10.198 4.064 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.284 -9.201 3.134 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.753 -11.321 3.291 1.00 0.00 C ATOM 0 H THR A 80 0.684 -8.480 5.702 1.00 0.00 H new ATOM 0 HA THR A 80 -1.916 -9.240 4.703 1.00 0.00 H new ATOM 0 HB THR A 80 0.770 -10.598 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.506 -8.688 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.063 -11.693 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.013 -12.130 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.657 -10.950 2.807 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.351 -11.229 6.844 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.568 -12.280 7.833 1.00 0.00 C ATOM 1221 C VAL A 81 -1.223 -11.737 9.103 1.00 0.00 C ATOM 1222 O VAL A 81 -1.592 -12.504 9.993 1.00 0.00 O ATOM 1223 CB VAL A 81 0.752 -12.981 8.209 1.00 0.00 C ATOM 1224 CG1 VAL A 81 0.481 -14.204 9.073 1.00 0.00 C ATOM 1225 CG2 VAL A 81 1.530 -13.364 6.958 1.00 0.00 C ATOM 0 H VAL A 81 0.624 -10.953 6.729 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.240 -13.003 7.370 1.00 0.00 H new ATOM 0 HB VAL A 81 1.359 -12.284 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.425 -14.686 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.029 -13.898 9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.147 -14.905 8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.459 -13.858 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.931 -14.042 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.758 -12.467 6.383 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.364 -10.415 9.188 1.00 0.00 N ATOM 1236 CA LYS A 82 -1.974 -9.782 10.355 1.00 0.00 C ATOM 1237 C LYS A 82 -3.292 -10.458 10.730 1.00 0.00 C ATOM 1238 O LYS A 82 -3.364 -11.196 11.712 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.207 -8.293 10.089 1.00 0.00 C ATOM 1240 CG LYS A 82 -1.424 -7.378 11.018 1.00 0.00 C ATOM 1241 CD LYS A 82 -1.841 -7.563 12.470 1.00 0.00 C ATOM 1242 CE LYS A 82 -0.760 -8.264 13.279 1.00 0.00 C ATOM 1243 NZ LYS A 82 0.581 -7.653 13.063 1.00 0.00 N ATOM 0 H LYS A 82 -1.064 -9.763 8.463 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.286 -9.894 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.934 -8.070 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.270 -8.076 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.358 -7.582 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.580 -6.340 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.056 -6.591 12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.762 -8.144 12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.013 -8.219 14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.727 -9.318 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.156 -7.765 13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.053 -8.125 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.471 -6.641 12.850 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.333 -10.199 9.943 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.647 -10.781 10.198 1.00 0.00 C ATOM 1259 C HIS A 83 -5.833 -12.079 9.414 1.00 0.00 C ATOM 1260 O HIS A 83 -5.685 -13.171 9.962 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.751 -9.782 9.838 1.00 0.00 C ATOM 1262 CG HIS A 83 -8.136 -10.325 10.020 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -8.796 -10.314 11.231 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -8.987 -10.898 9.136 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -9.992 -10.857 11.084 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -10.133 -11.219 9.822 1.00 0.00 N ATOM 0 H HIS A 83 -4.292 -9.591 9.125 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.714 -11.013 11.261 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.636 -8.890 10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.625 -9.472 8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.799 -11.071 8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.729 -10.983 11.864 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.959 -11.665 9.422 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.160 -11.955 8.130 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.367 -13.121 7.277 1.00 0.00 C ATOM 1277 C ASN A 84 -6.692 -12.698 5.844 1.00 0.00 C ATOM 1278 O ASN A 84 -6.417 -11.567 5.446 1.00 0.00 O ATOM 1279 CB ASN A 84 -7.492 -13.994 7.842 1.00 0.00 C ATOM 1280 CG ASN A 84 -7.188 -15.475 7.727 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -8.004 -16.251 7.230 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -6.008 -15.875 8.188 1.00 0.00 N ATOM 0 H ASN A 84 -6.287 -11.060 7.658 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.444 -13.701 7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.654 -13.740 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.419 -13.774 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.748 -16.860 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.362 -15.197 8.592 1.00 0.00 H new ATOM 1289 N LEU A 85 -7.274 -13.614 5.072 1.00 0.00 N ATOM 1290 CA LEU A 85 -7.629 -13.333 3.685 1.00 0.00 C ATOM 1291 C LEU A 85 -6.383 -13.012 2.864 1.00 0.00 C ATOM 1292 O LEU A 85 -6.000 -11.850 2.726 1.00 0.00 O ATOM 1293 CB LEU A 85 -8.621 -12.168 3.611 1.00 0.00 C ATOM 1294 CG LEU A 85 -9.996 -12.435 4.235 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -10.525 -13.797 3.813 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -9.924 -12.331 5.752 1.00 0.00 C ATOM 0 H LEU A 85 -7.509 -14.556 5.385 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.100 -14.223 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.178 -11.304 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.762 -11.899 2.564 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.689 -11.676 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.501 -13.965 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.619 -13.830 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.834 -14.573 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.909 -12.524 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.214 -13.065 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.597 -11.330 6.033 1.00 0.00 H new ATOM 1308 N ASN A 86 -5.751 -14.052 2.327 1.00 0.00 N ATOM 1309 CA ASN A 86 -4.543 -13.887 1.525 1.00 0.00 C ATOM 1310 C ASN A 86 -4.823 -13.080 0.260 1.00 0.00 C ATOM 1311 O ASN A 86 -5.540 -13.533 -0.632 1.00 0.00 O ATOM 1312 CB ASN A 86 -3.965 -15.255 1.153 1.00 0.00 C ATOM 1313 CG ASN A 86 -4.947 -16.106 0.371 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -5.978 -16.524 0.897 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -4.631 -16.367 -0.892 1.00 0.00 N ATOM 0 H ASN A 86 -6.056 -15.019 2.433 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.816 -13.339 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.060 -15.115 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.675 -15.783 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.254 -16.935 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.765 -16.000 -1.288 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.248 -11.882 0.188 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.433 -11.014 -0.971 1.00 0.00 C ATOM 1324 C ASN A 87 -3.086 -10.657 -1.602 1.00 0.00 C ATOM 1325 O ASN A 87 -2.990 -10.498 -2.817 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.242 -9.763 -0.568 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.897 -8.496 -1.339 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.734 -7.953 -2.060 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.677 -8.007 -1.177 1.00 0.00 N ATOM 0 H ASN A 87 -3.651 -11.491 0.917 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.005 -11.546 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.302 -9.975 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.088 -9.576 0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.403 -7.151 -1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.012 -8.487 -0.571 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.039 -10.544 -0.785 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.721 -10.223 -1.301 1.00 0.00 C ATOM 1338 C TYR A 88 0.100 -11.483 -1.500 1.00 0.00 C ATOM 1339 O TYR A 88 0.037 -12.415 -0.698 1.00 0.00 O ATOM 1340 CB TYR A 88 0.016 -9.269 -0.359 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.881 -8.217 0.238 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.668 -8.503 1.345 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -0.960 -6.948 -0.316 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.508 -7.552 1.884 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -1.800 -5.992 0.216 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.572 -6.298 1.315 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.411 -5.345 1.848 1.00 0.00 O ATOM 0 H TYR A 88 -2.083 -10.670 0.226 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.853 -9.732 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.476 -9.845 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.824 -8.782 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.622 -9.486 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.355 -6.705 -1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.113 -7.788 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.852 -5.008 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.187 -5.783 2.255 1.00 0.00 H new ATOM 1357 N ASP A 89 0.872 -11.501 -2.573 1.00 0.00 N ATOM 1358 CA ASP A 89 1.712 -12.624 -2.892 1.00 0.00 C ATOM 1359 C ASP A 89 3.166 -12.154 -2.854 1.00 0.00 C ATOM 1360 O ASP A 89 3.485 -11.027 -3.248 1.00 0.00 O ATOM 1361 CB ASP A 89 1.275 -13.170 -4.255 1.00 0.00 C ATOM 1362 CG ASP A 89 2.409 -13.735 -5.095 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.388 -14.246 -4.511 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.311 -13.676 -6.339 1.00 0.00 O ATOM 0 H ASP A 89 0.928 -10.734 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 89 1.621 -13.440 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.530 -13.950 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.787 -12.371 -4.814 1.00 0.00 H new ATOM 1369 N LEU A 90 4.034 -12.987 -2.329 1.00 0.00 N ATOM 1370 CA LEU A 90 5.436 -12.604 -2.188 1.00 0.00 C ATOM 1371 C LEU A 90 6.407 -13.756 -2.432 1.00 0.00 C ATOM 1372 O LEU A 90 6.088 -14.925 -2.214 1.00 0.00 O ATOM 1373 CB LEU A 90 5.684 -12.055 -0.774 1.00 0.00 C ATOM 1374 CG LEU A 90 5.255 -10.603 -0.519 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.375 -10.269 0.962 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.096 -9.645 -1.348 1.00 0.00 C ATOM 0 H LEU A 90 3.808 -13.923 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 90 5.623 -11.847 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.162 -12.695 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.749 -12.140 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 90 4.213 -10.493 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.068 -9.237 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.734 -10.936 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.410 -10.395 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.778 -8.621 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.146 -9.756 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.968 -9.871 -2.407 1.00 0.00 H new ATOM 1388 N ARG A 91 7.619 -13.383 -2.835 1.00 0.00 N ATOM 1389 CA ARG A 91 8.711 -14.329 -3.065 1.00 0.00 C ATOM 1390 C ARG A 91 10.002 -13.653 -2.622 1.00 0.00 C ATOM 1391 O ARG A 91 10.224 -12.496 -2.949 1.00 0.00 O ATOM 1392 CB ARG A 91 8.786 -14.750 -4.537 1.00 0.00 C ATOM 1393 CG ARG A 91 9.096 -13.609 -5.493 1.00 0.00 C ATOM 1394 CD ARG A 91 10.286 -13.932 -6.387 1.00 0.00 C ATOM 1395 NE ARG A 91 9.925 -14.835 -7.480 1.00 0.00 N ATOM 1396 CZ ARG A 91 10.169 -16.146 -7.480 1.00 0.00 C ATOM 1397 NH1 ARG A 91 10.774 -16.724 -6.449 1.00 0.00 N ATOM 1398 NH2 ARG A 91 9.806 -16.883 -8.521 1.00 0.00 N ATOM 0 H ARG A 91 7.874 -12.411 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 91 8.543 -15.241 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.551 -15.519 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.837 -15.202 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.222 -13.404 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.304 -12.703 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.690 -13.008 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.076 -14.386 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 91 9.457 -14.436 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.058 -16.164 -5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.955 -17.728 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.342 -16.447 -9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.991 -17.886 -8.525 1.00 0.00 H new ATOM 1412 N SER A 92 10.833 -14.330 -1.836 1.00 0.00 N ATOM 1413 CA SER A 92 12.046 -13.684 -1.334 1.00 0.00 C ATOM 1414 C SER A 92 13.323 -14.117 -2.041 1.00 0.00 C ATOM 1415 O SER A 92 13.485 -15.267 -2.448 1.00 0.00 O ATOM 1416 CB SER A 92 12.197 -13.913 0.167 1.00 0.00 C ATOM 1417 OG SER A 92 12.168 -15.295 0.482 1.00 0.00 O ATOM 0 H SER A 92 10.698 -15.296 -1.538 1.00 0.00 H new ATOM 0 HA SER A 92 11.914 -12.623 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.136 -13.479 0.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.395 -13.400 0.698 1.00 0.00 H new ATOM 0 HG SER A 92 12.269 -15.412 1.450 1.00 0.00 H new ATOM 1423 N VAL A 93 14.228 -13.146 -2.150 1.00 0.00 N ATOM 1424 CA VAL A 93 15.532 -13.312 -2.769 1.00 0.00 C ATOM 1425 C VAL A 93 16.422 -12.118 -2.373 1.00 0.00 C ATOM 1426 O VAL A 93 16.556 -11.815 -1.183 1.00 0.00 O ATOM 1427 CB VAL A 93 15.412 -13.418 -4.307 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.823 -14.761 -4.708 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.573 -12.272 -4.859 1.00 0.00 C ATOM 0 H VAL A 93 14.066 -12.201 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 93 15.982 -14.240 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 93 16.412 -13.345 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.747 -14.815 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.468 -15.563 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.831 -14.869 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.500 -12.364 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.574 -12.309 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.044 -11.322 -4.606 1.00 0.00 H new ATOM 1439 N GLY A 94 17.001 -11.420 -3.354 1.00 0.00 N ATOM 1440 CA GLY A 94 17.830 -10.257 -3.064 1.00 0.00 C ATOM 1441 C GLY A 94 18.674 -10.395 -1.810 1.00 0.00 C ATOM 1442 O GLY A 94 18.939 -9.402 -1.137 1.00 0.00 O ATOM 0 H GLY A 94 16.910 -11.641 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.488 -10.072 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.187 -9.382 -2.962 1.00 0.00 H new ATOM 1446 N ASN A 95 19.081 -11.623 -1.481 1.00 0.00 N ATOM 1447 CA ASN A 95 19.872 -11.877 -0.282 1.00 0.00 C ATOM 1448 C ASN A 95 19.029 -11.581 0.962 1.00 0.00 C ATOM 1449 O ASN A 95 18.817 -12.451 1.807 1.00 0.00 O ATOM 1450 CB ASN A 95 21.179 -11.066 -0.310 1.00 0.00 C ATOM 1451 CG ASN A 95 21.115 -9.743 0.440 1.00 0.00 C ATOM 1452 OD1 ASN A 95 21.057 -9.809 1.766 1.00 0.00 O flip ATOM 1453 ND2 ASN A 95 21.118 -8.673 -0.168 1.00 0.00 N flip ATOM 0 H ASN A 95 18.874 -12.456 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 95 20.158 -12.928 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.978 -11.673 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.448 -10.869 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.164 -8.666 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.075 -7.794 0.347 1.00 0.00 H new ATOM 1460 N GLY A 96 18.519 -10.358 1.035 1.00 0.00 N ATOM 1461 CA GLY A 96 17.665 -9.950 2.125 1.00 0.00 C ATOM 1462 C GLY A 96 16.484 -9.158 1.602 1.00 0.00 C ATOM 1463 O GLY A 96 15.865 -8.386 2.335 1.00 0.00 O ATOM 0 H GLY A 96 18.689 -9.630 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.312 -10.827 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.232 -9.345 2.833 1.00 0.00 H new ATOM 1467 N ASN A 97 16.178 -9.353 0.315 1.00 0.00 N ATOM 1468 CA ASN A 97 15.074 -8.658 -0.331 1.00 0.00 C ATOM 1469 C ASN A 97 14.095 -9.658 -0.928 1.00 0.00 C ATOM 1470 O ASN A 97 14.400 -10.839 -1.044 1.00 0.00 O ATOM 1471 CB ASN A 97 15.570 -7.700 -1.420 1.00 0.00 C ATOM 1472 CG ASN A 97 17.048 -7.370 -1.297 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.800 -7.453 -2.268 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.469 -6.982 -0.098 1.00 0.00 N ATOM 0 H ASN A 97 16.686 -9.991 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 97 14.566 -8.068 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.383 -8.144 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.993 -6.777 -1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.449 -6.739 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.812 -6.927 0.680 1.00 0.00 H new ATOM 1481 N SER A 98 12.914 -9.184 -1.294 1.00 0.00 N ATOM 1482 CA SER A 98 11.898 -10.048 -1.867 1.00 0.00 C ATOM 1483 C SER A 98 11.167 -9.346 -2.997 1.00 0.00 C ATOM 1484 O SER A 98 11.193 -8.127 -3.113 1.00 0.00 O ATOM 1485 CB SER A 98 10.898 -10.464 -0.787 1.00 0.00 C ATOM 1486 OG SER A 98 9.673 -10.895 -1.353 1.00 0.00 O ATOM 0 H SER A 98 12.637 -8.206 -1.204 1.00 0.00 H new ATOM 0 HA SER A 98 12.389 -10.934 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.324 -11.266 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.715 -9.625 -0.116 1.00 0.00 H new ATOM 0 HG SER A 98 9.853 -11.514 -2.091 1.00 0.00 H new ATOM 1492 N VAL A 99 10.485 -10.123 -3.808 1.00 0.00 N ATOM 1493 CA VAL A 99 9.721 -9.581 -4.907 1.00 0.00 C ATOM 1494 C VAL A 99 8.257 -9.594 -4.517 1.00 0.00 C ATOM 1495 O VAL A 99 7.776 -10.563 -3.912 1.00 0.00 O ATOM 1496 CB VAL A 99 9.953 -10.395 -6.198 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.641 -10.845 -6.827 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.777 -9.593 -7.194 1.00 0.00 C ATOM 0 H VAL A 99 10.444 -11.139 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 99 10.043 -8.560 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 99 10.509 -11.292 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.848 -11.415 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.095 -11.471 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.039 -9.971 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.930 -10.183 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.249 -8.673 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.743 -9.347 -6.753 1.00 0.00 H new ATOM 1508 N LEU A 100 7.563 -8.507 -4.820 1.00 0.00 N ATOM 1509 CA LEU A 100 6.170 -8.393 -4.449 1.00 0.00 C ATOM 1510 C LEU A 100 5.228 -8.591 -5.617 1.00 0.00 C ATOM 1511 O LEU A 100 5.077 -7.730 -6.485 1.00 0.00 O ATOM 1512 CB LEU A 100 5.902 -7.053 -3.767 1.00 0.00 C ATOM 1513 CG LEU A 100 4.540 -6.390 -4.033 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.568 -6.696 -2.904 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.711 -4.887 -4.205 1.00 0.00 C ATOM 0 H LEU A 100 7.942 -7.701 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 100 5.970 -9.201 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.004 -7.195 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.683 -6.356 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 100 4.127 -6.798 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.610 -6.219 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.427 -7.774 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.969 -6.315 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.740 -4.429 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.142 -4.464 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.374 -4.690 -5.048 1.00 0.00 H new ATOM 1527 N VAL A 101 4.535 -9.705 -5.563 1.00 0.00 N ATOM 1528 CA VAL A 101 3.512 -10.021 -6.526 1.00 0.00 C ATOM 1529 C VAL A 101 2.255 -10.128 -5.697 1.00 0.00 C ATOM 1530 O VAL A 101 2.093 -11.065 -4.939 1.00 0.00 O ATOM 1531 CB VAL A 101 3.782 -11.344 -7.277 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.431 -11.066 -8.625 1.00 0.00 C ATOM 1533 CG2 VAL A 101 4.652 -12.277 -6.443 1.00 0.00 C ATOM 0 H VAL A 101 4.667 -10.419 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 101 3.456 -9.264 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 101 2.827 -11.840 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.615 -12.008 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.767 -10.445 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.376 -10.545 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.827 -13.201 -6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.606 -11.794 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.146 -12.505 -5.505 1.00 0.00 H new ATOM 1543 N SER A 102 1.411 -9.129 -5.742 1.00 0.00 N ATOM 1544 CA SER A 102 0.255 -9.148 -4.874 1.00 0.00 C ATOM 1545 C SER A 102 -1.001 -8.654 -5.530 1.00 0.00 C ATOM 1546 O SER A 102 -0.975 -7.831 -6.444 1.00 0.00 O ATOM 1547 CB SER A 102 0.552 -8.297 -3.630 1.00 0.00 C ATOM 1548 OG SER A 102 -0.584 -7.552 -3.220 1.00 0.00 O ATOM 0 H SER A 102 1.494 -8.314 -6.350 1.00 0.00 H new ATOM 0 HA SER A 102 0.074 -10.190 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.876 -8.944 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.376 -7.616 -3.843 1.00 0.00 H new ATOM 0 HG SER A 102 -0.786 -7.752 -2.282 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.107 -9.137 -4.990 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.417 -8.737 -5.427 1.00 0.00 C ATOM 1556 C LEU A 103 -4.490 -9.658 -4.882 1.00 0.00 C ATOM 1557 O LEU A 103 -5.008 -9.426 -3.795 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.508 -8.582 -6.952 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.638 -7.132 -7.464 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.054 -6.852 -7.936 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.250 -6.116 -6.394 1.00 0.00 C ATOM 0 H LEU A 103 -2.112 -9.821 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.599 -7.746 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.620 -9.029 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.366 -9.153 -7.308 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.949 -7.028 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.122 -5.824 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.309 -7.535 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.749 -6.996 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.355 -5.108 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.902 -6.232 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.215 -6.281 -6.094 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.832 -10.693 -5.621 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.862 -11.618 -5.171 1.00 0.00 C ATOM 1575 C ARG A 104 -7.076 -10.814 -4.714 1.00 0.00 C ATOM 1576 O ARG A 104 -7.462 -10.857 -3.546 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.319 -12.458 -4.019 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.818 -13.830 -4.436 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.640 -13.731 -5.394 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.471 -14.453 -4.895 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.328 -15.774 -4.974 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.274 -16.519 -5.533 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.236 -16.352 -4.493 1.00 0.00 N ATOM 0 H ARG A 104 -4.420 -10.917 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.154 -12.284 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.504 -11.915 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.103 -12.581 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.521 -14.394 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.628 -14.384 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.927 -14.132 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.382 -12.683 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.722 -13.913 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.116 -16.080 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.159 -17.531 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.506 -15.784 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.126 -17.364 -4.553 1.00 0.00 H new ATOM 1597 N SER A 105 -7.615 -10.029 -5.647 1.00 0.00 N ATOM 1598 CA SER A 105 -8.738 -9.122 -5.391 1.00 0.00 C ATOM 1599 C SER A 105 -8.176 -7.717 -5.270 1.00 0.00 C ATOM 1600 O SER A 105 -6.984 -7.560 -5.002 1.00 0.00 O ATOM 1601 CB SER A 105 -9.500 -9.498 -4.120 1.00 0.00 C ATOM 1602 OG SER A 105 -10.804 -8.942 -4.116 1.00 0.00 O ATOM 0 H SER A 105 -7.283 -10.003 -6.611 1.00 0.00 H new ATOM 0 HA SER A 105 -9.450 -9.190 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.565 -10.583 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.950 -9.147 -3.247 1.00 0.00 H new ATOM 0 HG SER A 105 -10.743 -7.964 -4.133 1.00 0.00 H new ATOM 1608 N ASP A 106 -8.991 -6.690 -5.483 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.464 -5.336 -5.400 1.00 0.00 C ATOM 1610 C ASP A 106 -8.879 -4.618 -4.121 1.00 0.00 C ATOM 1611 O ASP A 106 -9.979 -4.077 -4.015 1.00 0.00 O ATOM 1612 CB ASP A 106 -8.927 -4.531 -6.613 1.00 0.00 C ATOM 1613 CG ASP A 106 -7.835 -4.370 -7.652 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -6.761 -3.835 -7.305 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.053 -4.782 -8.810 1.00 0.00 O ATOM 0 H ASP A 106 -9.984 -6.763 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.377 -5.414 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.786 -5.025 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.261 -3.546 -6.286 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.949 -4.581 -3.176 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.141 -3.889 -1.905 1.00 0.00 C ATOM 1622 C GLN A 107 -6.813 -3.776 -1.172 1.00 0.00 C ATOM 1623 O GLN A 107 -6.167 -4.789 -0.904 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.165 -4.605 -1.034 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.078 -3.659 -0.260 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.047 -4.372 0.665 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.916 -5.684 0.766 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -11.895 -3.744 1.295 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.038 -5.030 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.523 -2.890 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.776 -5.252 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.641 -5.250 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.465 -2.975 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.643 -3.053 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.963 -2.732 1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.530 -4.235 1.924 1.00 0.00 H new ATOM 1637 N MET A 108 -6.399 -2.561 -0.842 1.00 0.00 N ATOM 1638 CA MET A 108 -5.137 -2.377 -0.138 1.00 0.00 C ATOM 1639 C MET A 108 -5.334 -1.637 1.178 1.00 0.00 C ATOM 1640 O MET A 108 -6.377 -1.029 1.417 1.00 0.00 O ATOM 1641 CB MET A 108 -4.128 -1.630 -1.013 1.00 0.00 C ATOM 1642 CG MET A 108 -2.713 -2.175 -0.904 1.00 0.00 C ATOM 1643 SD MET A 108 -2.326 -3.372 -2.195 1.00 0.00 S ATOM 1644 CE MET A 108 -3.682 -4.524 -2.003 1.00 0.00 C ATOM 0 H MET A 108 -6.908 -1.701 -1.046 1.00 0.00 H new ATOM 0 HA MET A 108 -4.744 -3.369 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.451 -1.683 -2.053 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.126 -0.576 -0.733 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.005 -1.348 -0.957 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.583 -2.644 0.071 1.00 0.00 H new ATOM 0 HE1 MET A 108 -3.485 -5.420 -2.592 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.783 -4.796 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.606 -4.059 -2.348 1.00 0.00 H new ATOM 1654 N THR A 109 -4.317 -1.703 2.031 1.00 0.00 N ATOM 1655 CA THR A 109 -4.362 -1.052 3.333 1.00 0.00 C ATOM 1656 C THR A 109 -3.213 -0.057 3.481 1.00 0.00 C ATOM 1657 O THR A 109 -2.262 -0.075 2.701 1.00 0.00 O ATOM 1658 CB THR A 109 -4.304 -2.097 4.451 1.00 0.00 C ATOM 1659 OG1 THR A 109 -2.962 -2.417 4.770 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.014 -3.388 4.106 1.00 0.00 C ATOM 0 H THR A 109 -3.449 -2.203 1.842 1.00 0.00 H new ATOM 0 HA THR A 109 -5.302 -0.505 3.410 1.00 0.00 H new ATOM 0 HB THR A 109 -4.814 -1.638 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.833 -3.386 4.705 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.933 -4.082 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.065 -3.183 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.555 -3.830 3.222 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.308 0.812 4.484 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.277 1.813 4.731 1.00 0.00 C ATOM 1670 C LEU A 110 -0.899 1.163 4.808 1.00 0.00 C ATOM 1671 O LEU A 110 0.040 1.599 4.140 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.582 2.580 6.023 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.167 3.980 5.821 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -3.302 4.698 7.153 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.300 4.788 4.866 1.00 0.00 C ATOM 0 H LEU A 110 -4.090 0.842 5.139 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.274 2.517 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.280 1.993 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.663 2.667 6.602 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.160 3.878 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.719 5.692 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.963 4.130 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.321 4.789 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.731 5.780 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.295 4.881 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.252 4.282 3.902 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.784 0.108 5.611 1.00 0.00 N ATOM 1688 CA GLN A 111 0.481 -0.605 5.749 1.00 0.00 C ATOM 1689 C GLN A 111 0.922 -1.153 4.394 1.00 0.00 C ATOM 1690 O GLN A 111 1.948 -0.746 3.853 1.00 0.00 O ATOM 1691 CB GLN A 111 0.351 -1.742 6.772 1.00 0.00 C ATOM 1692 CG GLN A 111 1.543 -2.692 6.802 1.00 0.00 C ATOM 1693 CD GLN A 111 2.768 -2.084 7.457 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.355 -1.081 6.812 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.183 -2.509 8.535 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.547 -0.270 6.173 1.00 0.00 H new ATOM 0 HA GLN A 111 1.238 0.092 6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.219 -1.310 7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.550 -2.314 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.264 -3.600 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.791 -2.987 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.703 -3.281 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.007 -2.089 8.966 1.00 0.00 H new ATOM 1704 N ASP A 112 0.129 -2.070 3.848 1.00 0.00 N ATOM 1705 CA ASP A 112 0.424 -2.670 2.549 1.00 0.00 C ATOM 1706 C ASP A 112 0.768 -1.599 1.521 1.00 0.00 C ATOM 1707 O ASP A 112 1.737 -1.729 0.769 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.766 -3.494 2.072 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.097 -4.613 3.034 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.376 -5.633 3.028 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.079 -4.474 3.793 1.00 0.00 O ATOM 0 H ASP A 112 -0.725 -2.415 4.286 1.00 0.00 H new ATOM 0 HA ASP A 112 1.289 -3.324 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.634 -2.845 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.548 -3.912 1.089 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.023 -0.532 1.503 1.00 0.00 N ATOM 1717 CA ALA A 113 0.207 0.569 0.581 1.00 0.00 C ATOM 1718 C ALA A 113 1.617 1.117 0.762 1.00 0.00 C ATOM 1719 O ALA A 113 2.396 1.199 -0.190 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.821 1.668 0.801 1.00 0.00 C ATOM 0 H ALA A 113 -0.828 -0.408 2.117 1.00 0.00 H new ATOM 0 HA ALA A 113 0.103 0.199 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.635 2.485 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.822 1.269 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.744 2.039 1.823 1.00 0.00 H new ATOM 1726 N LYS A 114 1.940 1.478 2.001 1.00 0.00 N ATOM 1727 CA LYS A 114 3.257 2.006 2.322 1.00 0.00 C ATOM 1728 C LYS A 114 4.332 0.964 2.043 1.00 0.00 C ATOM 1729 O LYS A 114 5.437 1.298 1.631 1.00 0.00 O ATOM 1730 CB LYS A 114 3.310 2.459 3.789 1.00 0.00 C ATOM 1731 CG LYS A 114 3.975 1.460 4.739 1.00 0.00 C ATOM 1732 CD LYS A 114 3.628 1.739 6.198 1.00 0.00 C ATOM 1733 CE LYS A 114 3.762 3.215 6.520 1.00 0.00 C ATOM 1734 NZ LYS A 114 5.066 3.756 6.050 1.00 0.00 N ATOM 0 H LYS A 114 1.306 1.413 2.797 1.00 0.00 H new ATOM 0 HA LYS A 114 3.447 2.872 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.847 3.406 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.294 2.648 4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.661 0.449 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.056 1.502 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.609 1.411 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.285 1.161 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.947 3.767 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.671 3.364 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.321 4.589 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.801 3.028 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.988 4.030 5.050 1.00 0.00 H new ATOM 1748 N VAL A 115 3.994 -0.299 2.272 1.00 0.00 N ATOM 1749 CA VAL A 115 4.923 -1.400 2.046 1.00 0.00 C ATOM 1750 C VAL A 115 5.447 -1.397 0.616 1.00 0.00 C ATOM 1751 O VAL A 115 6.647 -1.194 0.355 1.00 0.00 O ATOM 1752 CB VAL A 115 4.235 -2.755 2.289 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.183 -3.907 1.994 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.697 -2.844 3.702 1.00 0.00 C ATOM 0 H VAL A 115 3.078 -0.588 2.616 1.00 0.00 H new ATOM 0 HA VAL A 115 5.749 -1.262 2.744 1.00 0.00 H new ATOM 0 HB VAL A 115 3.391 -2.831 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.673 -4.853 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.502 -3.858 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.055 -3.836 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.216 -3.811 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.518 -2.736 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.970 -2.049 3.865 1.00 0.00 H new ATOM 1764 N LEU A 116 4.530 -1.631 -0.311 1.00 0.00 N ATOM 1765 CA LEU A 116 4.871 -1.680 -1.712 1.00 0.00 C ATOM 1766 C LEU A 116 5.462 -0.360 -2.155 1.00 0.00 C ATOM 1767 O LEU A 116 6.381 -0.341 -2.956 1.00 0.00 O ATOM 1768 CB LEU A 116 3.633 -2.012 -2.560 1.00 0.00 C ATOM 1769 CG LEU A 116 2.853 -3.293 -2.191 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.528 -4.069 -1.066 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.412 -2.953 -1.818 1.00 0.00 C ATOM 0 H LEU A 116 3.543 -1.790 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 116 5.612 -2.466 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.946 -1.168 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.947 -2.095 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 116 2.848 -3.936 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.945 -4.962 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.532 -4.360 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.590 -3.441 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.877 -3.867 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.407 -2.277 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.921 -2.471 -2.664 1.00 0.00 H new ATOM 1783 N LEU A 117 4.934 0.744 -1.633 1.00 0.00 N ATOM 1784 CA LEU A 117 5.444 2.054 -2.006 1.00 0.00 C ATOM 1785 C LEU A 117 6.791 2.329 -1.373 1.00 0.00 C ATOM 1786 O LEU A 117 7.567 3.138 -1.880 1.00 0.00 O ATOM 1787 CB LEU A 117 4.457 3.161 -1.663 1.00 0.00 C ATOM 1788 CG LEU A 117 3.723 3.705 -2.879 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.220 3.717 -2.651 1.00 0.00 C ATOM 1790 CD2 LEU A 117 4.232 5.092 -3.216 1.00 0.00 C ATOM 0 H LEU A 117 4.166 0.756 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 117 5.575 2.044 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.729 2.781 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.990 3.976 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 117 3.921 3.047 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.721 4.111 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.873 2.702 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.987 4.347 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.700 5.473 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.063 5.757 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.299 5.045 -3.434 1.00 0.00 H new ATOM 1802 N GLU A 118 7.093 1.623 -0.299 1.00 0.00 N ATOM 1803 CA GLU A 118 8.381 1.780 0.340 1.00 0.00 C ATOM 1804 C GLU A 118 9.398 1.203 -0.605 1.00 0.00 C ATOM 1805 O GLU A 118 10.401 1.835 -0.926 1.00 0.00 O ATOM 1806 CB GLU A 118 8.435 1.067 1.695 1.00 0.00 C ATOM 1807 CG GLU A 118 9.054 1.908 2.800 1.00 0.00 C ATOM 1808 CD GLU A 118 10.391 1.365 3.268 1.00 0.00 C ATOM 1809 OE1 GLU A 118 10.401 0.323 3.956 1.00 0.00 O ATOM 1810 OE2 GLU A 118 11.428 1.982 2.946 1.00 0.00 O ATOM 0 H GLU A 118 6.472 0.945 0.142 1.00 0.00 H new ATOM 0 HA GLU A 118 8.578 2.832 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.424 0.784 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.006 0.145 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.186 2.930 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.368 1.952 3.646 1.00 0.00 H new ATOM 1817 N ALA A 119 9.085 0.009 -1.098 1.00 0.00 N ATOM 1818 CA ALA A 119 9.944 -0.641 -2.068 1.00 0.00 C ATOM 1819 C ALA A 119 9.763 0.005 -3.437 1.00 0.00 C ATOM 1820 O ALA A 119 10.665 -0.025 -4.275 1.00 0.00 O ATOM 1821 CB ALA A 119 9.659 -2.131 -2.137 1.00 0.00 C ATOM 0 H ALA A 119 8.251 -0.520 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 119 10.980 -0.515 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.317 -2.594 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.834 -2.581 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.621 -2.290 -2.429 1.00 0.00 H new ATOM 1827 N ALA A 120 8.589 0.602 -3.649 1.00 0.00 N ATOM 1828 CA ALA A 120 8.288 1.268 -4.904 1.00 0.00 C ATOM 1829 C ALA A 120 9.115 2.522 -5.033 1.00 0.00 C ATOM 1830 O ALA A 120 9.918 2.656 -5.952 1.00 0.00 O ATOM 1831 CB ALA A 120 6.810 1.609 -5.018 1.00 0.00 C ATOM 0 H ALA A 120 7.835 0.634 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 120 8.536 0.581 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.624 2.106 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.220 0.694 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.525 2.272 -4.201 1.00 0.00 H new ATOM 1837 N LEU A 121 8.930 3.441 -4.097 1.00 0.00 N ATOM 1838 CA LEU A 121 9.687 4.670 -4.122 1.00 0.00 C ATOM 1839 C LEU A 121 11.175 4.354 -3.970 1.00 0.00 C ATOM 1840 O LEU A 121 12.021 4.951 -4.626 1.00 0.00 O ATOM 1841 CB LEU A 121 9.204 5.641 -3.041 1.00 0.00 C ATOM 1842 CG LEU A 121 9.908 5.540 -1.691 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.816 6.740 -1.462 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.885 5.422 -0.585 1.00 0.00 C ATOM 0 H LEU A 121 8.270 3.356 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 121 9.531 5.164 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.321 6.658 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.137 5.480 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 121 10.532 4.646 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.307 6.645 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.570 6.781 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.223 7.654 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.395 5.350 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.241 6.302 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.280 4.529 -0.742 1.00 0.00 H new ATOM 1856 N ARG A 122 11.476 3.385 -3.106 1.00 0.00 N ATOM 1857 CA ARG A 122 12.850 2.963 -2.861 1.00 0.00 C ATOM 1858 C ARG A 122 13.565 2.629 -4.166 1.00 0.00 C ATOM 1859 O ARG A 122 14.611 3.198 -4.479 1.00 0.00 O ATOM 1860 CB ARG A 122 12.853 1.743 -1.928 1.00 0.00 C ATOM 1861 CG ARG A 122 14.071 0.845 -2.066 1.00 0.00 C ATOM 1862 CD ARG A 122 13.987 -0.355 -1.138 1.00 0.00 C ATOM 1863 NE ARG A 122 14.944 -0.264 -0.040 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.678 0.303 1.136 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.489 0.847 1.368 1.00 0.00 N ATOM 1866 NH2 ARG A 122 15.606 0.331 2.081 1.00 0.00 N ATOM 0 H ARG A 122 10.780 2.876 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 122 13.386 3.786 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.789 2.090 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.958 1.152 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.157 0.503 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.972 1.416 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.978 -0.431 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.172 -1.267 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 122 15.874 -0.659 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.771 0.833 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.293 1.279 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.523 -0.081 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.404 0.765 2.982 1.00 0.00 H new ATOM 1880 N GLN A 123 13.006 1.683 -4.905 1.00 0.00 N ATOM 1881 CA GLN A 123 13.598 1.243 -6.159 1.00 0.00 C ATOM 1882 C GLN A 123 13.258 2.165 -7.333 1.00 0.00 C ATOM 1883 O GLN A 123 14.002 2.214 -8.312 1.00 0.00 O ATOM 1884 CB GLN A 123 13.139 -0.180 -6.476 1.00 0.00 C ATOM 1885 CG GLN A 123 13.754 -1.233 -5.568 1.00 0.00 C ATOM 1886 CD GLN A 123 15.269 -1.167 -5.541 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.837 -1.089 -4.342 1.00 0.00 O flip ATOM 1888 NE2 GLN A 123 15.922 -1.185 -6.584 1.00 0.00 N flip ATOM 0 H GLN A 123 12.140 1.204 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 123 14.680 1.274 -6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.053 -0.230 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.391 -0.412 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 123 13.370 -1.104 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.443 -2.223 -5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.445 -1.246 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.940 -1.139 -6.549 1.00 0.00 H new ATOM 1897 N GLU A 124 12.127 2.868 -7.263 1.00 0.00 N ATOM 1898 CA GLU A 124 11.725 3.738 -8.372 1.00 0.00 C ATOM 1899 C GLU A 124 12.127 5.200 -8.187 1.00 0.00 C ATOM 1900 O GLU A 124 12.933 5.729 -8.953 1.00 0.00 O ATOM 1901 CB GLU A 124 10.212 3.663 -8.581 1.00 0.00 C ATOM 1902 CG GLU A 124 9.664 2.245 -8.586 1.00 0.00 C ATOM 1903 CD GLU A 124 9.698 1.613 -9.964 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.806 1.465 -10.523 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.617 1.266 -10.485 1.00 0.00 O ATOM 0 H GLU A 124 11.485 2.855 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 124 12.259 3.367 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.717 4.231 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.961 4.143 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.243 1.633 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.637 2.255 -8.220 1.00 0.00 H new ATOM 1912 N SER A 125 11.532 5.865 -7.201 1.00 0.00 N ATOM 1913 CA SER A 125 11.806 7.282 -6.969 1.00 0.00 C ATOM 1914 C SER A 125 12.872 7.518 -5.906 1.00 0.00 C ATOM 1915 O SER A 125 13.945 8.047 -6.197 1.00 0.00 O ATOM 1916 CB SER A 125 10.514 7.999 -6.571 1.00 0.00 C ATOM 1917 OG SER A 125 9.977 8.727 -7.663 1.00 0.00 O ATOM 0 H SER A 125 10.862 5.450 -6.553 1.00 0.00 H new ATOM 0 HA SER A 125 12.195 7.687 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.783 7.270 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.711 8.676 -5.740 1.00 0.00 H new ATOM 0 HG SER A 125 9.151 9.174 -7.383 1.00 0.00 H new ATOM 1923 N GLY A 126 12.561 7.152 -4.669 1.00 0.00 N ATOM 1924 CA GLY A 126 13.494 7.364 -3.582 1.00 0.00 C ATOM 1925 C GLY A 126 13.724 8.838 -3.352 1.00 0.00 C ATOM 1926 O GLY A 126 14.685 9.414 -3.861 1.00 0.00 O ATOM 0 H GLY A 126 11.680 6.713 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.109 6.905 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.441 6.875 -3.809 1.00 0.00 H new ATOM 1930 N ALA A 127 12.813 9.461 -2.612 1.00 0.00 N ATOM 1931 CA ALA A 127 12.894 10.890 -2.351 1.00 0.00 C ATOM 1932 C ALA A 127 12.640 11.646 -3.646 1.00 0.00 C ATOM 1933 O ALA A 127 13.285 12.652 -3.938 1.00 0.00 O ATOM 1934 CB ALA A 127 14.248 11.261 -1.762 1.00 0.00 C ATOM 0 H ALA A 127 12.012 8.998 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 127 12.135 11.165 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.282 12.335 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.396 10.726 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.037 10.989 -2.463 1.00 0.00 H new ATOM 1940 N ARG A 128 11.694 11.123 -4.424 1.00 0.00 N ATOM 1941 CA ARG A 128 11.324 11.699 -5.710 1.00 0.00 C ATOM 1942 C ARG A 128 12.415 11.458 -6.745 1.00 0.00 C ATOM 1943 O ARG A 128 13.470 12.092 -6.715 1.00 0.00 O ATOM 1944 CB ARG A 128 11.037 13.197 -5.586 1.00 0.00 C ATOM 1945 CG ARG A 128 9.556 13.535 -5.594 1.00 0.00 C ATOM 1946 CD ARG A 128 9.209 14.514 -6.705 1.00 0.00 C ATOM 1947 NE ARG A 128 9.391 13.927 -8.031 1.00 0.00 N ATOM 1948 CZ ARG A 128 8.841 14.417 -9.140 1.00 0.00 C ATOM 1949 NH1 ARG A 128 8.075 15.498 -9.087 1.00 0.00 N ATOM 1950 NH2 ARG A 128 9.060 13.824 -10.305 1.00 0.00 N ATOM 0 H ARG A 128 11.164 10.287 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 128 10.412 11.203 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.481 13.568 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.525 13.721 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.975 12.621 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 128 9.275 13.962 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.175 14.839 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.834 15.402 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 128 9.973 13.093 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.904 15.959 -8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.656 15.869 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.650 12.993 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.639 14.199 -11.155 1.00 0.00 H new ATOM 1964 N GLY A 129 12.148 10.534 -7.659 1.00 0.00 N ATOM 1965 CA GLY A 129 13.109 10.214 -8.698 1.00 0.00 C ATOM 1966 C GLY A 129 12.443 9.848 -10.010 1.00 0.00 C ATOM 1967 O GLY A 129 12.920 10.225 -11.081 1.00 0.00 O ATOM 0 H GLY A 129 11.281 9.999 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.768 11.068 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.734 9.385 -8.368 1.00 0.00 H new ATOM 1971 N SER A 130 11.339 9.110 -9.929 1.00 0.00 N ATOM 1972 CA SER A 130 10.609 8.693 -11.121 1.00 0.00 C ATOM 1973 C SER A 130 11.481 7.817 -12.014 1.00 0.00 C ATOM 1974 O SER A 130 12.409 8.360 -12.650 1.00 0.00 O ATOM 1975 CB SER A 130 10.125 9.916 -11.903 1.00 0.00 C ATOM 1976 OG SER A 130 9.195 9.544 -12.906 1.00 0.00 O ATOM 0 H SER A 130 10.931 8.789 -9.051 1.00 0.00 H new ATOM 0 HA SER A 130 9.745 8.110 -10.802 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.663 10.629 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.977 10.419 -12.361 1.00 0.00 H new ATOM 0 HG SER A 130 8.899 10.343 -13.390 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -14.111 17.338 -9.266 1.00 0.00 C HETATM 1984 O ACE B 201 -14.203 17.385 -10.492 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -15.351 17.146 -8.398 1.00 0.00 C HETATM 0 H1 ACE B 201 -15.247 16.233 -7.811 1.00 0.00 H new HETATM 0 H2 ACE B 201 -15.461 17.998 -7.727 1.00 0.00 H new HETATM 0 H3 ACE B 201 -16.232 17.069 -9.035 1.00 0.00 H new ATOM 1989 N ASP B 202 -12.953 17.451 -8.624 1.00 0.00 N ATOM 1990 CA ASP B 202 -12.052 16.315 -8.468 1.00 0.00 C ATOM 1991 C ASP B 202 -11.954 15.894 -7.005 1.00 0.00 C ATOM 1992 O ASP B 202 -12.636 16.448 -6.142 1.00 0.00 O ATOM 1993 CB ASP B 202 -10.662 16.663 -9.004 1.00 0.00 C ATOM 1994 CG ASP B 202 -10.682 17.009 -10.480 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -11.185 16.188 -11.276 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -10.196 18.102 -10.840 1.00 0.00 O ATOM 0 H ASP B 202 -12.617 18.317 -8.204 1.00 0.00 H new ATOM 0 HA ASP B 202 -12.457 15.481 -9.041 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -10.259 17.505 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -9.991 15.820 -8.840 1.00 0.00 H new ATOM 2001 N GLU B 203 -11.100 14.912 -6.733 1.00 0.00 N ATOM 2002 CA GLU B 203 -10.910 14.417 -5.374 1.00 0.00 C ATOM 2003 C GLU B 203 -10.284 15.492 -4.489 1.00 0.00 C ATOM 2004 O GLU B 203 -10.299 16.674 -4.831 1.00 0.00 O ATOM 2005 CB GLU B 203 -10.030 13.163 -5.386 1.00 0.00 C ATOM 2006 CG GLU B 203 -10.415 12.158 -6.460 1.00 0.00 C ATOM 2007 CD GLU B 203 -11.893 11.818 -6.441 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -12.306 11.017 -5.575 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -12.636 12.352 -7.290 1.00 0.00 O ATOM 0 H GLU B 203 -10.529 14.443 -7.436 1.00 0.00 H new ATOM 0 HA GLU B 203 -11.886 14.160 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -8.992 13.460 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -10.088 12.680 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -10.151 12.559 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -9.835 11.246 -6.323 1.00 0.00 H new HETATM 2016 N PTR B 204 -9.734 15.077 -3.349 1.00 0.00 N HETATM 2017 CA PTR B 204 -9.105 16.008 -2.416 1.00 0.00 C HETATM 2018 C PTR B 204 -8.102 16.907 -3.131 1.00 0.00 C HETATM 2019 O PTR B 204 -7.582 16.557 -4.191 1.00 0.00 O HETATM 2020 CB PTR B 204 -8.397 15.240 -1.298 1.00 0.00 C HETATM 2021 CG PTR B 204 -9.308 14.317 -0.520 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -8.943 13.000 -0.270 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -10.531 14.762 -0.035 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -9.770 12.154 0.441 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -11.364 13.921 0.676 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.980 12.619 0.912 1.00 0.00 C HETATM 2027 OH PTR B 204 -11.807 11.778 1.620 1.00 0.00 O HETATM 2028 P PTR B 204 -12.245 12.216 3.052 1.00 0.00 P HETATM 2029 O1P PTR B 204 -10.970 12.834 3.683 1.00 0.00 O HETATM 2030 O2P PTR B 204 -12.579 10.890 3.781 1.00 0.00 O HETATM 2031 O3P PTR B 204 -13.401 13.173 3.037 1.00 0.00 O HETATM 0 HN2 PTR B 204 -10.430 14.411 -3.013 1.00 0.00 H new HETATM 0 HE2 PTR B 204 -12.321 14.286 1.049 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -9.468 11.124 0.629 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -10.838 15.792 -0.219 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -7.988 12.629 -0.641 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -7.585 14.655 -1.730 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -7.945 15.954 -0.610 1.00 0.00 H new HETATM 0 HA PTR B 204 -9.889 16.633 -1.988 1.00 0.00 H new ATOM 2040 N ASP B 205 -7.833 18.067 -2.541 1.00 0.00 N ATOM 2041 CA ASP B 205 -6.891 19.018 -3.117 1.00 0.00 C ATOM 2042 C ASP B 205 -5.453 18.587 -2.850 1.00 0.00 C ATOM 2043 O ASP B 205 -4.683 18.349 -3.781 1.00 0.00 O ATOM 2044 CB ASP B 205 -7.134 20.416 -2.544 1.00 0.00 C ATOM 2045 CG ASP B 205 -8.288 21.125 -3.224 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -9.380 20.527 -3.318 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -8.101 22.280 -3.662 1.00 0.00 O ATOM 0 H ASP B 205 -8.255 18.371 -1.663 1.00 0.00 H new ATOM 0 HA ASP B 205 -7.048 19.043 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -7.337 20.338 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -6.229 21.013 -2.653 1.00 0.00 H new ATOM 2052 N ASP B 206 -5.097 18.485 -1.573 1.00 0.00 N ATOM 2053 CA ASP B 206 -3.750 18.079 -1.185 1.00 0.00 C ATOM 2054 C ASP B 206 -3.788 16.818 -0.322 1.00 0.00 C ATOM 2055 O ASP B 206 -4.712 16.625 0.470 1.00 0.00 O ATOM 2056 CB ASP B 206 -3.050 19.214 -0.432 1.00 0.00 C ATOM 2057 CG ASP B 206 -1.862 19.766 -1.196 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -2.006 20.026 -2.409 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -0.788 19.938 -0.582 1.00 0.00 O ATOM 0 H ASP B 206 -5.722 18.678 -0.790 1.00 0.00 H new ATOM 0 HA ASP B 206 -3.187 17.856 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -3.763 20.017 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -2.717 18.851 0.540 1.00 0.00 H new ATOM 2064 N PRO B 207 -2.782 15.937 -0.466 1.00 0.00 N ATOM 2065 CA PRO B 207 -2.703 14.689 0.299 1.00 0.00 C ATOM 2066 C PRO B 207 -2.202 14.907 1.723 1.00 0.00 C ATOM 2067 O PRO B 207 -2.209 16.029 2.229 1.00 0.00 O ATOM 2068 CB PRO B 207 -1.701 13.866 -0.505 1.00 0.00 C ATOM 2069 CG PRO B 207 -0.786 14.880 -1.095 1.00 0.00 C ATOM 2070 CD PRO B 207 -1.639 16.086 -1.391 1.00 0.00 C ATOM 0 HA PRO B 207 -3.676 14.214 0.419 1.00 0.00 H new ATOM 0 HB2 PRO B 207 -1.161 13.164 0.131 1.00 0.00 H new ATOM 0 HB3 PRO B 207 -2.197 13.279 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO B 207 0.017 15.131 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO B 207 -0.317 14.501 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -1.097 17.015 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -1.964 16.102 -2.431 1.00 0.00 H new ATOM 2078 N PHE B 208 -1.770 13.823 2.367 1.00 0.00 N ATOM 2079 CA PHE B 208 -1.264 13.888 3.736 1.00 0.00 C ATOM 2080 C PHE B 208 -2.398 14.153 4.723 1.00 0.00 C ATOM 2081 O PHE B 208 -3.069 15.183 4.654 1.00 0.00 O ATOM 2082 CB PHE B 208 -0.194 14.977 3.865 1.00 0.00 C ATOM 2083 CG PHE B 208 1.199 14.444 4.039 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.598 13.884 5.244 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.118 14.520 3.001 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.886 13.413 5.408 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.405 14.046 3.162 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.789 13.492 4.367 1.00 0.00 C ATOM 0 H PHE B 208 -1.761 12.888 1.961 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.815 12.923 3.973 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -0.223 15.608 2.977 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -0.438 15.613 4.716 1.00 0.00 H new ATOM 0 HD1 PHE B 208 0.895 13.816 6.061 1.00 0.00 H new ATOM 0 HD2 PHE B 208 1.823 14.955 2.057 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.187 12.982 6.352 1.00 0.00 H new ATOM 0 HE2 PHE B 208 4.110 14.109 2.346 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.795 13.121 4.495 1.00 0.00 H new HETATM 2098 N NH2 B 209 -2.612 13.219 5.644 1.00 0.00 N TER 2101 NH2 B 209