USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -1.99! C(o=-0.99!,f=-4!) USER MOD Set 1.2: A 90 SER OG : rot 61:sc= 0.999 USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -1.09 F(o=-4.4!,f=-2.3) USER MOD Set 2.2: A 86 SER OG : rot -28:sc= -1.2! USER MOD Set 3.1: A 21 SER OG : rot 98:sc= -4.92! USER MOD Set 3.2: A 62 ASN : amide:sc= -4.41 K(o=-9.3,f=-14!) USER MOD Set 4.1: A 40 TYR OH : rot 143:sc= 0.725 USER MOD Set 4.2: A 50 GLN : amide:sc= -3.83! C(o=-3.1!,f=-11!) USER MOD Set 5.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0709 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.62) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -47:sc= 0.978 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -66:sc= -0.553! USER MOD Single : A 20 SER OG : rot 6:sc= -4.42! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -139:sc= -2 USER MOD Single : A 43 SER OG : rot 110:sc= -1.42 USER MOD Single : A 51 TYR OH : rot 64:sc= 0.807 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc=0.000598 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -172:sc= -4.28! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 167:sc= -4.1! USER MOD Single : A 85 GLN :FLIP amide:sc= -2.1 F(o=-9.1!,f=-2.1) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -160:sc= -0.555 USER MOD Single : A 93 GLN :FLIP amide:sc= -2.2 F(o=-5.5!,f=-2.2) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -175:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.755 -7.806 -27.359 1.00 0.00 N ATOM 2 CA GLY A 1 -7.359 -9.225 -27.584 1.00 0.00 C ATOM 3 C GLY A 1 -7.200 -9.930 -26.242 1.00 0.00 C ATOM 4 O GLY A 1 -6.903 -9.299 -25.227 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.741 -7.669 -27.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.667 -7.577 -26.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.134 -7.181 -27.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.113 -9.733 -28.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.424 -9.268 -28.142 1.00 0.00 H new ATOM 10 N PRO A 2 -7.390 -11.221 -26.226 1.00 0.00 N ATOM 11 CA PRO A 2 -7.268 -12.042 -24.988 1.00 0.00 C ATOM 12 C PRO A 2 -5.852 -12.000 -24.426 1.00 0.00 C ATOM 13 O PRO A 2 -5.543 -12.665 -23.437 1.00 0.00 O ATOM 14 CB PRO A 2 -7.641 -13.459 -25.435 1.00 0.00 C ATOM 15 CG PRO A 2 -7.489 -13.466 -26.921 1.00 0.00 C ATOM 16 CD PRO A 2 -7.746 -12.040 -27.392 1.00 0.00 C ATOM 0 HA PRO A 2 -7.909 -11.674 -24.187 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.990 -14.200 -24.971 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.662 -13.705 -25.145 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.490 -13.794 -27.207 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.195 -14.159 -27.379 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.136 -11.788 -28.260 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.787 -11.895 -27.681 1.00 0.00 H new ATOM 24 N LEU A 3 -4.997 -11.208 -25.066 1.00 0.00 N ATOM 25 CA LEU A 3 -3.616 -11.079 -24.625 1.00 0.00 C ATOM 26 C LEU A 3 -3.549 -10.175 -23.399 1.00 0.00 C ATOM 27 O LEU A 3 -4.330 -9.235 -23.268 1.00 0.00 O ATOM 28 CB LEU A 3 -2.754 -10.474 -25.739 1.00 0.00 C ATOM 29 CG LEU A 3 -2.986 -11.224 -27.051 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.946 -10.779 -28.079 1.00 0.00 C ATOM 31 CD2 LEU A 3 -2.852 -12.730 -26.821 1.00 0.00 C ATOM 0 H LEU A 3 -5.236 -10.650 -25.886 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.238 -12.071 -24.376 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.999 -9.419 -25.866 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.701 -10.526 -25.463 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.989 -11.003 -27.417 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.109 -11.312 -29.016 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.040 -9.707 -28.251 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.947 -11.000 -27.705 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.019 -13.258 -27.760 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.851 -12.954 -26.451 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.590 -13.053 -26.087 1.00 0.00 H new ATOM 43 N GLY A 4 -2.614 -10.463 -22.505 1.00 0.00 N ATOM 44 CA GLY A 4 -2.458 -9.665 -21.295 1.00 0.00 C ATOM 45 C GLY A 4 -1.267 -10.156 -20.490 1.00 0.00 C ATOM 46 O GLY A 4 -0.147 -9.674 -20.665 1.00 0.00 O ATOM 0 H GLY A 4 -1.956 -11.237 -22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.320 -8.616 -21.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.364 -9.726 -20.692 1.00 0.00 H new ATOM 50 N SER A 5 -1.512 -11.128 -19.620 1.00 0.00 N ATOM 51 CA SER A 5 -0.449 -11.691 -18.804 1.00 0.00 C ATOM 52 C SER A 5 0.627 -12.291 -19.702 1.00 0.00 C ATOM 53 O SER A 5 1.795 -12.372 -19.322 1.00 0.00 O ATOM 54 CB SER A 5 -1.011 -12.771 -17.877 1.00 0.00 C ATOM 55 OG SER A 5 0.017 -13.227 -17.005 1.00 0.00 O ATOM 0 H SER A 5 -2.432 -11.539 -19.463 1.00 0.00 H new ATOM 0 HA SER A 5 -0.012 -10.898 -18.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.844 -12.372 -17.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.401 -13.603 -18.464 1.00 0.00 H new ATOM 0 HG SER A 5 -0.342 -13.918 -16.409 1.00 0.00 H new ATOM 61 N HIS A 6 0.219 -12.706 -20.901 1.00 0.00 N ATOM 62 CA HIS A 6 1.150 -13.297 -21.857 1.00 0.00 C ATOM 63 C HIS A 6 1.776 -14.560 -21.280 1.00 0.00 C ATOM 64 O HIS A 6 1.812 -14.744 -20.064 1.00 0.00 O ATOM 65 CB HIS A 6 2.255 -12.292 -22.199 1.00 0.00 C ATOM 66 CG HIS A 6 1.640 -11.015 -22.696 1.00 0.00 C ATOM 67 ND1 HIS A 6 2.170 -9.772 -22.388 1.00 0.00 N ATOM 68 CD2 HIS A 6 0.538 -10.771 -23.475 1.00 0.00 C ATOM 69 CE1 HIS A 6 1.391 -8.844 -22.975 1.00 0.00 C ATOM 70 NE2 HIS A 6 0.384 -9.399 -23.650 1.00 0.00 N ATOM 0 H HIS A 6 -0.744 -12.644 -21.230 1.00 0.00 H new ATOM 0 HA HIS A 6 0.599 -13.555 -22.761 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.866 -12.094 -21.318 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.917 -12.708 -22.959 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.111 -11.528 -23.889 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.561 -7.780 -22.907 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -0.344 -8.920 -24.181 1.00 0.00 H new ATOM 79 N LEU A 7 2.273 -15.428 -22.154 1.00 0.00 N ATOM 80 CA LEU A 7 2.896 -16.664 -21.703 1.00 0.00 C ATOM 81 C LEU A 7 4.278 -16.373 -21.112 1.00 0.00 C ATOM 82 O LEU A 7 4.949 -17.277 -20.611 1.00 0.00 O ATOM 83 CB LEU A 7 3.036 -17.650 -22.871 1.00 0.00 C ATOM 84 CG LEU A 7 1.666 -17.944 -23.503 1.00 0.00 C ATOM 85 CD1 LEU A 7 0.620 -18.189 -22.416 1.00 0.00 C ATOM 86 CD2 LEU A 7 1.223 -16.764 -24.371 1.00 0.00 C ATOM 0 H LEU A 7 2.257 -15.301 -23.166 1.00 0.00 H new ATOM 0 HA LEU A 7 2.262 -17.108 -20.936 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.708 -17.237 -23.623 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.485 -18.578 -22.518 1.00 0.00 H new ATOM 0 HG LEU A 7 1.758 -18.837 -24.121 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.345 -18.396 -22.879 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.921 -19.042 -21.807 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.537 -17.304 -21.785 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.251 -16.983 -24.814 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.148 -15.868 -23.755 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.954 -16.600 -25.163 1.00 0.00 H new ATOM 98 N VAL A 8 4.695 -15.107 -21.173 1.00 0.00 N ATOM 99 CA VAL A 8 5.998 -14.708 -20.641 1.00 0.00 C ATOM 100 C VAL A 8 5.831 -13.679 -19.522 1.00 0.00 C ATOM 101 O VAL A 8 4.990 -12.785 -19.608 1.00 0.00 O ATOM 102 CB VAL A 8 6.858 -14.114 -21.760 1.00 0.00 C ATOM 103 CG1 VAL A 8 6.247 -12.793 -22.240 1.00 0.00 C ATOM 104 CG2 VAL A 8 8.271 -13.852 -21.233 1.00 0.00 C ATOM 0 H VAL A 8 4.153 -14.346 -21.582 1.00 0.00 H new ATOM 0 HA VAL A 8 6.489 -15.592 -20.234 1.00 0.00 H new ATOM 0 HB VAL A 8 6.899 -14.818 -22.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.863 -12.375 -23.036 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.240 -12.974 -22.617 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.202 -12.089 -21.409 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.884 -13.429 -22.029 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.224 -13.151 -20.400 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.713 -14.789 -20.894 1.00 0.00 H new ATOM 114 N ALA A 9 6.634 -13.821 -18.468 1.00 0.00 N ATOM 115 CA ALA A 9 6.564 -12.906 -17.331 1.00 0.00 C ATOM 116 C ALA A 9 7.508 -11.720 -17.515 1.00 0.00 C ATOM 117 O ALA A 9 8.692 -11.897 -17.805 1.00 0.00 O ATOM 118 CB ALA A 9 6.934 -13.649 -16.047 1.00 0.00 C ATOM 0 H ALA A 9 7.336 -14.556 -18.378 1.00 0.00 H new ATOM 0 HA ALA A 9 5.543 -12.529 -17.265 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.881 -12.963 -15.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.238 -14.473 -15.890 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.947 -14.041 -16.133 1.00 0.00 H new ATOM 124 N THR A 10 6.980 -10.510 -17.334 1.00 0.00 N ATOM 125 CA THR A 10 7.792 -9.302 -17.473 1.00 0.00 C ATOM 126 C THR A 10 7.563 -8.357 -16.293 1.00 0.00 C ATOM 127 O THR A 10 6.509 -8.389 -15.658 1.00 0.00 O ATOM 128 CB THR A 10 7.451 -8.587 -18.781 1.00 0.00 C ATOM 129 OG1 THR A 10 8.540 -7.749 -19.149 1.00 0.00 O ATOM 130 CG2 THR A 10 6.189 -7.735 -18.597 1.00 0.00 C ATOM 0 H THR A 10 6.003 -10.341 -17.093 1.00 0.00 H new ATOM 0 HA THR A 10 8.842 -9.595 -17.486 1.00 0.00 H new ATOM 0 HB THR A 10 7.270 -9.325 -19.562 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.329 -7.288 -19.988 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.952 -7.229 -19.533 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.356 -8.376 -18.310 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.361 -6.994 -17.817 1.00 0.00 H new ATOM 138 N SER A 11 8.559 -7.518 -16.003 1.00 0.00 N ATOM 139 CA SER A 11 8.452 -6.576 -14.891 1.00 0.00 C ATOM 140 C SER A 11 8.003 -7.303 -13.629 1.00 0.00 C ATOM 141 O SER A 11 7.726 -6.682 -12.602 1.00 0.00 O ATOM 142 CB SER A 11 7.442 -5.477 -15.225 1.00 0.00 C ATOM 143 OG SER A 11 7.281 -4.628 -14.095 1.00 0.00 O ATOM 0 H SER A 11 9.439 -7.472 -16.517 1.00 0.00 H new ATOM 0 HA SER A 11 9.431 -6.128 -14.723 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.786 -4.899 -16.083 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.485 -5.919 -15.502 1.00 0.00 H new ATOM 0 HG SER A 11 7.159 -5.174 -13.290 1.00 0.00 H new ATOM 149 N GLU A 12 7.923 -8.625 -13.720 1.00 0.00 N ATOM 150 CA GLU A 12 7.492 -9.439 -12.590 1.00 0.00 C ATOM 151 C GLU A 12 6.152 -8.937 -12.052 1.00 0.00 C ATOM 152 O GLU A 12 5.833 -7.753 -12.158 1.00 0.00 O ATOM 153 CB GLU A 12 8.539 -9.405 -11.473 1.00 0.00 C ATOM 154 CG GLU A 12 8.163 -10.431 -10.400 1.00 0.00 C ATOM 155 CD GLU A 12 9.125 -10.336 -9.221 1.00 0.00 C ATOM 156 OE1 GLU A 12 9.781 -9.314 -9.094 1.00 0.00 O ATOM 157 OE2 GLU A 12 9.187 -11.284 -8.455 1.00 0.00 O ATOM 0 H GLU A 12 8.150 -9.155 -14.562 1.00 0.00 H new ATOM 0 HA GLU A 12 7.376 -10.466 -12.936 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.527 -9.628 -11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.591 -8.407 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.142 -10.256 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.191 -11.436 -10.822 1.00 0.00 H new ATOM 164 N SER A 13 5.369 -9.850 -11.487 1.00 0.00 N ATOM 165 CA SER A 13 4.060 -9.496 -10.948 1.00 0.00 C ATOM 166 C SER A 13 4.173 -8.408 -9.886 1.00 0.00 C ATOM 167 O SER A 13 3.510 -7.374 -9.967 1.00 0.00 O ATOM 168 CB SER A 13 3.415 -10.728 -10.315 1.00 0.00 C ATOM 169 OG SER A 13 3.523 -11.827 -11.209 1.00 0.00 O ATOM 0 H SER A 13 5.616 -10.835 -11.390 1.00 0.00 H new ATOM 0 HA SER A 13 3.450 -9.124 -11.771 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.904 -10.964 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.367 -10.529 -10.090 1.00 0.00 H new ATOM 0 HG SER A 13 3.112 -12.619 -10.805 1.00 0.00 H new ATOM 175 N VAL A 14 5.005 -8.657 -8.888 1.00 0.00 N ATOM 176 CA VAL A 14 5.186 -7.701 -7.800 1.00 0.00 C ATOM 177 C VAL A 14 6.509 -6.956 -7.936 1.00 0.00 C ATOM 178 O VAL A 14 7.554 -7.566 -8.155 1.00 0.00 O ATOM 179 CB VAL A 14 5.158 -8.440 -6.462 1.00 0.00 C ATOM 180 CG1 VAL A 14 3.714 -8.783 -6.096 1.00 0.00 C ATOM 181 CG2 VAL A 14 5.972 -9.729 -6.586 1.00 0.00 C ATOM 0 H VAL A 14 5.564 -9.506 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 14 4.375 -6.975 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 14 5.585 -7.807 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.696 -9.310 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.131 -7.865 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.284 -9.419 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.957 -10.262 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.539 -10.360 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.001 -9.485 -6.849 1.00 0.00 H new ATOM 191 N THR A 15 6.454 -5.637 -7.791 1.00 0.00 N ATOM 192 CA THR A 15 7.653 -4.818 -7.885 1.00 0.00 C ATOM 193 C THR A 15 7.989 -4.225 -6.520 1.00 0.00 C ATOM 194 O THR A 15 7.199 -4.340 -5.582 1.00 0.00 O ATOM 195 CB THR A 15 7.465 -3.709 -8.916 1.00 0.00 C ATOM 196 OG1 THR A 15 7.081 -4.285 -10.160 1.00 0.00 O ATOM 197 CG2 THR A 15 8.783 -2.960 -9.078 1.00 0.00 C ATOM 0 H THR A 15 5.596 -5.116 -7.609 1.00 0.00 H new ATOM 0 HA THR A 15 8.482 -5.448 -8.208 1.00 0.00 H new ATOM 0 HB THR A 15 6.689 -3.017 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.958 -3.576 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.661 -2.164 -9.813 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.076 -2.528 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.555 -3.651 -9.416 1.00 0.00 H new ATOM 205 N GLU A 16 9.176 -3.631 -6.395 1.00 0.00 N ATOM 206 CA GLU A 16 9.598 -3.076 -5.113 1.00 0.00 C ATOM 207 C GLU A 16 9.693 -4.217 -4.118 1.00 0.00 C ATOM 208 O GLU A 16 9.697 -4.019 -2.905 1.00 0.00 O ATOM 209 CB GLU A 16 8.599 -2.022 -4.606 1.00 0.00 C ATOM 210 CG GLU A 16 8.883 -0.670 -5.260 1.00 0.00 C ATOM 211 CD GLU A 16 10.287 -0.202 -4.892 1.00 0.00 C ATOM 212 OE1 GLU A 16 10.879 -0.804 -4.011 1.00 0.00 O ATOM 213 OE2 GLU A 16 10.747 0.755 -5.493 1.00 0.00 O ATOM 0 H GLU A 16 9.851 -3.524 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 16 10.563 -2.583 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.580 -2.337 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.672 -1.933 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.790 -0.753 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.147 0.064 -4.932 1.00 0.00 H new ATOM 220 N ILE A 17 9.746 -5.420 -4.672 1.00 0.00 N ATOM 221 CA ILE A 17 9.812 -6.643 -3.882 1.00 0.00 C ATOM 222 C ILE A 17 10.692 -6.462 -2.641 1.00 0.00 C ATOM 223 O ILE A 17 10.185 -6.269 -1.535 1.00 0.00 O ATOM 224 CB ILE A 17 10.376 -7.794 -4.736 1.00 0.00 C ATOM 225 CG1 ILE A 17 10.399 -7.408 -6.229 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.508 -9.043 -4.555 1.00 0.00 C ATOM 227 CD1 ILE A 17 11.596 -6.492 -6.515 1.00 0.00 C ATOM 0 H ILE A 17 9.745 -5.576 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 17 8.799 -6.881 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 17 11.396 -7.996 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.462 -8.305 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.471 -6.902 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.909 -9.856 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.509 -9.338 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.487 -8.826 -4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.605 -6.224 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.514 -5.588 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 17 12.520 -7.013 -6.265 1.00 0.00 H new ATOM 239 N THR A 18 12.010 -6.542 -2.825 1.00 0.00 N ATOM 240 CA THR A 18 12.940 -6.404 -1.705 1.00 0.00 C ATOM 241 C THR A 18 12.284 -6.892 -0.417 1.00 0.00 C ATOM 242 O THR A 18 12.212 -8.096 -0.165 1.00 0.00 O ATOM 243 CB THR A 18 13.377 -4.943 -1.545 1.00 0.00 C ATOM 244 OG1 THR A 18 12.330 -4.198 -0.938 1.00 0.00 O ATOM 245 CG2 THR A 18 13.700 -4.349 -2.918 1.00 0.00 C ATOM 0 H THR A 18 12.454 -6.700 -3.730 1.00 0.00 H new ATOM 0 HA THR A 18 13.821 -7.012 -1.911 1.00 0.00 H new ATOM 0 HB THR A 18 14.266 -4.899 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.561 -4.160 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.010 -3.311 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.506 -4.919 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.814 -4.394 -3.551 1.00 0.00 H new ATOM 253 N ALA A 19 11.791 -5.952 0.382 1.00 0.00 N ATOM 254 CA ALA A 19 11.124 -6.295 1.633 1.00 0.00 C ATOM 255 C ALA A 19 9.796 -6.980 1.340 1.00 0.00 C ATOM 256 O ALA A 19 8.828 -6.827 2.085 1.00 0.00 O ATOM 257 CB ALA A 19 10.881 -5.031 2.459 1.00 0.00 C ATOM 0 H ALA A 19 11.840 -4.952 0.187 1.00 0.00 H new ATOM 0 HA ALA A 19 11.761 -6.974 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.383 -5.296 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.835 -4.552 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.252 -4.343 1.894 1.00 0.00 H new ATOM 263 N SER A 20 9.759 -7.729 0.241 1.00 0.00 N ATOM 264 CA SER A 20 8.547 -8.432 -0.156 1.00 0.00 C ATOM 265 C SER A 20 7.403 -7.446 -0.338 1.00 0.00 C ATOM 266 O SER A 20 6.246 -7.760 -0.058 1.00 0.00 O ATOM 267 CB SER A 20 8.176 -9.480 0.895 1.00 0.00 C ATOM 268 OG SER A 20 7.959 -8.850 2.152 1.00 0.00 O ATOM 0 H SER A 20 10.552 -7.863 -0.387 1.00 0.00 H new ATOM 0 HA SER A 20 8.730 -8.936 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.278 -10.015 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.973 -10.219 0.981 1.00 0.00 H new ATOM 0 HG SER A 20 8.009 -7.877 2.043 1.00 0.00 H new ATOM 274 N SER A 21 7.737 -6.245 -0.801 1.00 0.00 N ATOM 275 CA SER A 21 6.731 -5.214 -1.007 1.00 0.00 C ATOM 276 C SER A 21 5.687 -5.670 -2.014 1.00 0.00 C ATOM 277 O SER A 21 5.981 -6.426 -2.939 1.00 0.00 O ATOM 278 CB SER A 21 7.387 -3.936 -1.533 1.00 0.00 C ATOM 279 OG SER A 21 7.424 -3.992 -2.952 1.00 0.00 O ATOM 0 H SER A 21 8.689 -5.965 -1.038 1.00 0.00 H new ATOM 0 HA SER A 21 6.250 -5.022 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.826 -3.061 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.396 -3.837 -1.133 1.00 0.00 H new ATOM 0 HG SER A 21 6.674 -3.479 -3.319 1.00 0.00 H new ATOM 285 N PHE A 22 4.471 -5.178 -1.836 1.00 0.00 N ATOM 286 CA PHE A 22 3.382 -5.505 -2.743 1.00 0.00 C ATOM 287 C PHE A 22 2.999 -4.287 -3.567 1.00 0.00 C ATOM 288 O PHE A 22 3.012 -3.167 -3.072 1.00 0.00 O ATOM 289 CB PHE A 22 2.124 -5.935 -1.978 1.00 0.00 C ATOM 290 CG PHE A 22 2.291 -7.229 -1.217 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.253 -8.191 -1.567 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.428 -7.467 -0.143 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.342 -9.381 -0.837 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.522 -8.654 0.586 1.00 0.00 C ATOM 295 CZ PHE A 22 2.478 -9.610 0.239 1.00 0.00 C ATOM 0 H PHE A 22 4.214 -4.552 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 22 3.735 -6.319 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.846 -5.146 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.299 -6.042 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.921 -8.013 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.686 -6.729 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.079 -10.124 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.856 -8.832 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.551 -10.528 0.802 1.00 0.00 H new ATOM 305 N VAL A 23 2.601 -4.516 -4.807 1.00 0.00 N ATOM 306 CA VAL A 23 2.153 -3.422 -5.655 1.00 0.00 C ATOM 307 C VAL A 23 0.696 -3.657 -6.011 1.00 0.00 C ATOM 308 O VAL A 23 0.376 -4.527 -6.824 1.00 0.00 O ATOM 309 CB VAL A 23 2.993 -3.339 -6.924 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.310 -2.393 -7.917 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.380 -2.792 -6.582 1.00 0.00 C ATOM 0 H VAL A 23 2.578 -5.437 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 23 2.264 -2.479 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 23 3.090 -4.332 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.906 -2.329 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.318 -2.774 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.220 -1.402 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.981 -2.732 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.282 -1.798 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.867 -3.455 -5.867 1.00 0.00 H new ATOM 321 N VAL A 24 -0.187 -2.898 -5.377 1.00 0.00 N ATOM 322 CA VAL A 24 -1.612 -3.058 -5.611 1.00 0.00 C ATOM 323 C VAL A 24 -2.211 -1.843 -6.305 1.00 0.00 C ATOM 324 O VAL A 24 -1.883 -0.700 -5.982 1.00 0.00 O ATOM 325 CB VAL A 24 -2.320 -3.289 -4.276 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.832 -3.290 -4.492 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.886 -4.637 -3.701 1.00 0.00 C ATOM 0 H VAL A 24 0.057 -2.172 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.753 -3.917 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.056 -2.492 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.336 -3.455 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.141 -2.330 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.100 -4.086 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.389 -4.805 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.152 -5.432 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.807 -4.636 -3.546 1.00 0.00 H new ATOM 337 N SER A 25 -3.100 -2.105 -7.257 1.00 0.00 N ATOM 338 CA SER A 25 -3.759 -1.037 -7.991 1.00 0.00 C ATOM 339 C SER A 25 -5.265 -1.234 -7.961 1.00 0.00 C ATOM 340 O SER A 25 -5.751 -2.356 -7.823 1.00 0.00 O ATOM 341 CB SER A 25 -3.263 -1.002 -9.434 1.00 0.00 C ATOM 342 OG SER A 25 -3.659 -2.195 -10.091 1.00 0.00 O ATOM 0 H SER A 25 -3.379 -3.046 -7.536 1.00 0.00 H new ATOM 0 HA SER A 25 -3.518 -0.086 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.673 -0.134 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.178 -0.903 -9.456 1.00 0.00 H new ATOM 0 HG SER A 25 -3.345 -2.177 -11.019 1.00 0.00 H new ATOM 348 N TRP A 26 -6.005 -0.142 -8.085 1.00 0.00 N ATOM 349 CA TRP A 26 -7.454 -0.233 -8.059 1.00 0.00 C ATOM 350 C TRP A 26 -8.084 0.822 -8.953 1.00 0.00 C ATOM 351 O TRP A 26 -7.407 1.458 -9.760 1.00 0.00 O ATOM 352 CB TRP A 26 -7.953 -0.043 -6.625 1.00 0.00 C ATOM 353 CG TRP A 26 -7.460 1.268 -6.093 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.048 2.470 -6.305 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.291 1.526 -5.262 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.309 3.449 -5.660 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.217 2.915 -5.003 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.298 0.694 -4.716 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.190 3.460 -4.225 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.265 1.236 -3.936 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.210 2.618 -3.692 1.00 0.00 C ATOM 0 H TRP A 26 -5.633 0.801 -8.203 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.741 -1.217 -8.429 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.042 -0.070 -6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.600 -0.859 -5.995 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.945 2.638 -6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.543 4.442 -5.669 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.330 -0.370 -4.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.155 4.523 -4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.508 0.587 -3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.411 3.030 -3.093 1.00 0.00 H new ATOM 372 N VAL A 27 -9.387 1.010 -8.785 1.00 0.00 N ATOM 373 CA VAL A 27 -10.113 1.998 -9.559 1.00 0.00 C ATOM 374 C VAL A 27 -10.692 3.039 -8.623 1.00 0.00 C ATOM 375 O VAL A 27 -11.279 2.703 -7.594 1.00 0.00 O ATOM 376 CB VAL A 27 -11.242 1.334 -10.351 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.954 2.380 -11.208 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.659 0.249 -11.258 1.00 0.00 C ATOM 0 H VAL A 27 -9.959 0.490 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.427 2.472 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.954 0.888 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.757 1.904 -11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.371 3.155 -10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.242 2.828 -11.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.463 -0.224 -11.822 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.945 0.697 -11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.153 -0.500 -10.650 1.00 0.00 H new ATOM 388 N SER A 28 -10.516 4.302 -8.969 1.00 0.00 N ATOM 389 CA SER A 28 -11.024 5.368 -8.128 1.00 0.00 C ATOM 390 C SER A 28 -12.490 5.120 -7.788 1.00 0.00 C ATOM 391 O SER A 28 -12.958 5.492 -6.712 1.00 0.00 O ATOM 392 CB SER A 28 -10.868 6.713 -8.830 1.00 0.00 C ATOM 393 OG SER A 28 -9.491 6.945 -9.097 1.00 0.00 O ATOM 0 H SER A 28 -10.033 4.610 -9.813 1.00 0.00 H new ATOM 0 HA SER A 28 -10.448 5.386 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.437 6.719 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.269 7.511 -8.205 1.00 0.00 H new ATOM 0 HG SER A 28 -9.386 7.808 -9.550 1.00 0.00 H new ATOM 399 N ALA A 29 -13.205 4.473 -8.706 1.00 0.00 N ATOM 400 CA ALA A 29 -14.616 4.162 -8.490 1.00 0.00 C ATOM 401 C ALA A 29 -15.398 5.398 -8.067 1.00 0.00 C ATOM 402 O ALA A 29 -16.594 5.319 -7.791 1.00 0.00 O ATOM 403 CB ALA A 29 -14.750 3.090 -7.409 1.00 0.00 C ATOM 0 H ALA A 29 -12.833 4.156 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.026 3.798 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.804 2.862 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.226 2.188 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.315 3.455 -6.479 1.00 0.00 H new ATOM 409 N SER A 30 -14.726 6.539 -8.013 1.00 0.00 N ATOM 410 CA SER A 30 -15.390 7.773 -7.616 1.00 0.00 C ATOM 411 C SER A 30 -14.539 8.978 -7.986 1.00 0.00 C ATOM 412 O SER A 30 -13.311 8.922 -7.948 1.00 0.00 O ATOM 413 CB SER A 30 -15.647 7.770 -6.109 1.00 0.00 C ATOM 414 OG SER A 30 -16.832 8.506 -5.832 1.00 0.00 O ATOM 0 H SER A 30 -13.735 6.637 -8.236 1.00 0.00 H new ATOM 0 HA SER A 30 -16.342 7.837 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.748 6.747 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.800 8.211 -5.583 1.00 0.00 H new ATOM 0 HG SER A 30 -17.000 8.504 -4.866 1.00 0.00 H new ATOM 420 N ASP A 31 -15.202 10.068 -8.349 1.00 0.00 N ATOM 421 CA ASP A 31 -14.500 11.284 -8.723 1.00 0.00 C ATOM 422 C ASP A 31 -14.563 12.298 -7.582 1.00 0.00 C ATOM 423 O ASP A 31 -13.855 13.307 -7.593 1.00 0.00 O ATOM 424 CB ASP A 31 -15.128 11.873 -9.987 1.00 0.00 C ATOM 425 CG ASP A 31 -14.257 13.001 -10.529 1.00 0.00 C ATOM 426 OD1 ASP A 31 -13.406 13.472 -9.794 1.00 0.00 O ATOM 427 OD2 ASP A 31 -14.456 13.377 -11.672 1.00 0.00 O ATOM 0 H ASP A 31 -16.219 10.133 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.455 11.047 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.241 11.095 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.127 12.249 -9.765 1.00 0.00 H new ATOM 432 N THR A 32 -15.424 12.021 -6.605 1.00 0.00 N ATOM 433 CA THR A 32 -15.589 12.911 -5.466 1.00 0.00 C ATOM 434 C THR A 32 -14.581 12.599 -4.363 1.00 0.00 C ATOM 435 O THR A 32 -14.509 13.314 -3.365 1.00 0.00 O ATOM 436 CB THR A 32 -17.006 12.769 -4.909 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.155 11.489 -4.315 1.00 0.00 O ATOM 438 CG2 THR A 32 -18.023 12.926 -6.040 1.00 0.00 C ATOM 0 H THR A 32 -16.015 11.190 -6.582 1.00 0.00 H new ATOM 0 HA THR A 32 -15.417 13.932 -5.807 1.00 0.00 H new ATOM 0 HB THR A 32 -17.177 13.542 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.063 11.398 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.032 12.824 -5.639 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.911 13.910 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.852 12.156 -6.792 1.00 0.00 H new ATOM 446 N VAL A 33 -13.799 11.540 -4.543 1.00 0.00 N ATOM 447 CA VAL A 33 -12.807 11.173 -3.548 1.00 0.00 C ATOM 448 C VAL A 33 -11.778 12.289 -3.406 1.00 0.00 C ATOM 449 O VAL A 33 -11.331 12.862 -4.400 1.00 0.00 O ATOM 450 CB VAL A 33 -12.129 9.867 -3.961 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.956 9.833 -5.477 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.763 9.744 -3.294 1.00 0.00 C ATOM 0 H VAL A 33 -13.834 10.929 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.294 11.027 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.756 9.034 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.472 8.900 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.933 9.900 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.339 10.675 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.293 8.809 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.134 10.581 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.885 9.754 -2.211 1.00 0.00 H new ATOM 462 N SER A 34 -11.423 12.603 -2.166 1.00 0.00 N ATOM 463 CA SER A 34 -10.457 13.663 -1.896 1.00 0.00 C ATOM 464 C SER A 34 -9.068 13.074 -1.711 1.00 0.00 C ATOM 465 O SER A 34 -8.066 13.789 -1.727 1.00 0.00 O ATOM 466 CB SER A 34 -10.860 14.414 -0.631 1.00 0.00 C ATOM 467 OG SER A 34 -12.004 15.209 -0.908 1.00 0.00 O ATOM 0 H SER A 34 -11.788 12.141 -1.333 1.00 0.00 H new ATOM 0 HA SER A 34 -10.443 14.350 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.077 13.709 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.038 15.043 -0.289 1.00 0.00 H new ATOM 0 HG SER A 34 -11.910 16.081 -0.471 1.00 0.00 H new ATOM 473 N GLY A 35 -9.027 11.765 -1.531 1.00 0.00 N ATOM 474 CA GLY A 35 -7.769 11.062 -1.338 1.00 0.00 C ATOM 475 C GLY A 35 -8.036 9.588 -1.072 1.00 0.00 C ATOM 476 O GLY A 35 -9.186 9.176 -0.942 1.00 0.00 O ATOM 0 H GLY A 35 -9.852 11.166 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.141 11.173 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.223 11.498 -0.502 1.00 0.00 H new ATOM 480 N PHE A 36 -6.976 8.799 -0.979 1.00 0.00 N ATOM 481 CA PHE A 36 -7.134 7.376 -0.714 1.00 0.00 C ATOM 482 C PHE A 36 -6.364 6.963 0.531 1.00 0.00 C ATOM 483 O PHE A 36 -5.328 7.539 0.859 1.00 0.00 O ATOM 484 CB PHE A 36 -6.642 6.549 -1.906 1.00 0.00 C ATOM 485 CG PHE A 36 -7.598 6.702 -3.059 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.691 5.835 -3.187 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.393 7.714 -3.998 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.579 5.986 -4.257 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.277 7.866 -5.068 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.371 7.004 -5.198 1.00 0.00 C ATOM 0 H PHE A 36 -6.011 9.113 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.196 7.188 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.645 6.877 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.562 5.499 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.848 5.051 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.549 8.381 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.423 5.320 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.116 8.649 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.056 7.123 -6.024 1.00 0.00 H new ATOM 500 N ARG A 37 -6.866 5.940 1.203 1.00 0.00 N ATOM 501 CA ARG A 37 -6.206 5.426 2.390 1.00 0.00 C ATOM 502 C ARG A 37 -6.075 3.924 2.267 1.00 0.00 C ATOM 503 O ARG A 37 -7.069 3.215 2.113 1.00 0.00 O ATOM 504 CB ARG A 37 -6.998 5.755 3.658 1.00 0.00 C ATOM 505 CG ARG A 37 -6.137 5.419 4.882 1.00 0.00 C ATOM 506 CD ARG A 37 -6.924 5.675 6.168 1.00 0.00 C ATOM 507 NE ARG A 37 -7.756 4.520 6.494 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.439 4.462 7.633 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.360 5.444 8.488 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.185 3.425 7.896 1.00 0.00 N ATOM 0 H ARG A 37 -7.724 5.452 0.948 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.225 5.896 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.272 6.810 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.926 5.184 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.824 4.376 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.230 6.024 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.236 5.879 6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.549 6.560 6.049 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.814 3.743 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.775 6.254 8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.883 5.402 9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.245 2.657 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.708 3.382 8.770 1.00 0.00 H new ATOM 524 N VAL A 38 -4.850 3.443 2.344 1.00 0.00 N ATOM 525 CA VAL A 38 -4.614 2.014 2.246 1.00 0.00 C ATOM 526 C VAL A 38 -4.269 1.456 3.610 1.00 0.00 C ATOM 527 O VAL A 38 -3.434 2.008 4.323 1.00 0.00 O ATOM 528 CB VAL A 38 -3.485 1.721 1.256 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.221 0.212 1.207 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.900 2.204 -0.136 1.00 0.00 C ATOM 0 H VAL A 38 -4.012 4.010 2.472 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.523 1.534 1.882 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.580 2.238 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.416 0.006 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.933 -0.139 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.125 -0.305 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.099 1.998 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.805 1.682 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.092 3.277 -0.107 1.00 0.00 H new ATOM 540 N GLU A 39 -4.912 0.359 3.971 1.00 0.00 N ATOM 541 CA GLU A 39 -4.654 -0.254 5.258 1.00 0.00 C ATOM 542 C GLU A 39 -4.212 -1.693 5.082 1.00 0.00 C ATOM 543 O GLU A 39 -4.838 -2.457 4.348 1.00 0.00 O ATOM 544 CB GLU A 39 -5.916 -0.229 6.115 1.00 0.00 C ATOM 545 CG GLU A 39 -5.585 -0.733 7.520 1.00 0.00 C ATOM 546 CD GLU A 39 -6.866 -0.883 8.333 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.918 -0.550 7.811 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.777 -1.327 9.467 1.00 0.00 O ATOM 0 H GLU A 39 -5.607 -0.119 3.398 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.862 0.312 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.315 0.784 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.687 -0.854 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.068 -1.691 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.909 -0.036 8.016 1.00 0.00 H new ATOM 555 N TYR A 40 -3.147 -2.071 5.773 1.00 0.00 N ATOM 556 CA TYR A 40 -2.666 -3.438 5.687 1.00 0.00 C ATOM 557 C TYR A 40 -2.217 -3.949 7.047 1.00 0.00 C ATOM 558 O TYR A 40 -1.624 -3.216 7.840 1.00 0.00 O ATOM 559 CB TYR A 40 -1.534 -3.552 4.663 1.00 0.00 C ATOM 560 CG TYR A 40 -0.370 -2.682 5.069 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.370 -1.326 4.729 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.711 -3.228 5.774 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.707 -0.511 5.092 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.791 -2.411 6.137 1.00 0.00 C ATOM 565 CZ TYR A 40 1.789 -1.052 5.795 1.00 0.00 C ATOM 566 OH TYR A 40 2.852 -0.246 6.153 1.00 0.00 O ATOM 0 H TYR A 40 -2.609 -1.461 6.389 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.494 -4.063 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.210 -4.590 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.894 -3.253 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.203 -0.907 4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.712 -4.275 6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.703 0.537 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.625 -2.829 6.681 1.00 0.00 H new ATOM 0 HH TYR A 40 3.184 -0.515 7.035 1.00 0.00 H new ATOM 576 N GLU A 41 -2.520 -5.214 7.309 1.00 0.00 N ATOM 577 CA GLU A 41 -2.165 -5.838 8.572 1.00 0.00 C ATOM 578 C GLU A 41 -1.946 -7.335 8.365 1.00 0.00 C ATOM 579 O GLU A 41 -2.356 -7.888 7.346 1.00 0.00 O ATOM 580 CB GLU A 41 -3.286 -5.610 9.586 1.00 0.00 C ATOM 581 CG GLU A 41 -4.474 -6.516 9.247 1.00 0.00 C ATOM 582 CD GLU A 41 -5.656 -6.180 10.148 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.481 -5.375 11.046 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.720 -6.732 9.924 1.00 0.00 O ATOM 0 H GLU A 41 -3.012 -5.828 6.660 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.244 -5.394 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.928 -5.823 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.596 -4.565 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.754 -6.387 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.193 -7.561 9.375 1.00 0.00 H new ATOM 591 N LEU A 42 -1.304 -7.989 9.326 1.00 0.00 N ATOM 592 CA LEU A 42 -1.051 -9.424 9.210 1.00 0.00 C ATOM 593 C LEU A 42 -2.318 -10.231 9.469 1.00 0.00 C ATOM 594 O LEU A 42 -3.031 -10.001 10.447 1.00 0.00 O ATOM 595 CB LEU A 42 0.047 -9.852 10.185 1.00 0.00 C ATOM 596 CG LEU A 42 1.404 -9.406 9.635 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.471 -9.530 10.725 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.782 -10.297 8.449 1.00 0.00 C ATOM 0 H LEU A 42 -0.953 -7.559 10.182 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.722 -9.622 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.126 -9.408 11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.032 -10.934 10.318 1.00 0.00 H new ATOM 0 HG LEU A 42 1.341 -8.367 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.435 -9.211 10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.201 -8.900 11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.538 -10.568 11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.748 -9.984 8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.843 -11.334 8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.024 -10.208 7.671 1.00 0.00 H new ATOM 610 N SER A 43 -2.587 -11.181 8.576 1.00 0.00 N ATOM 611 CA SER A 43 -3.765 -12.034 8.696 1.00 0.00 C ATOM 612 C SER A 43 -3.526 -13.132 9.727 1.00 0.00 C ATOM 613 O SER A 43 -4.459 -13.809 10.157 1.00 0.00 O ATOM 614 CB SER A 43 -4.057 -12.698 7.352 1.00 0.00 C ATOM 615 OG SER A 43 -3.207 -13.825 7.204 1.00 0.00 O ATOM 0 H SER A 43 -2.005 -11.379 7.762 1.00 0.00 H new ATOM 0 HA SER A 43 -4.606 -11.414 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.102 -13.004 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.892 -11.992 6.538 1.00 0.00 H new ATOM 0 HG SER A 43 -3.738 -14.646 7.267 1.00 0.00 H new ATOM 621 N GLU A 44 -2.263 -13.324 10.087 1.00 0.00 N ATOM 622 CA GLU A 44 -1.899 -14.368 11.036 1.00 0.00 C ATOM 623 C GLU A 44 -1.634 -13.805 12.422 1.00 0.00 C ATOM 624 O GLU A 44 -2.432 -13.985 13.340 1.00 0.00 O ATOM 625 CB GLU A 44 -0.649 -15.086 10.534 1.00 0.00 C ATOM 626 CG GLU A 44 -0.947 -15.695 9.165 1.00 0.00 C ATOM 627 CD GLU A 44 -2.083 -16.706 9.291 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.262 -17.228 10.379 1.00 0.00 O ATOM 629 OE2 GLU A 44 -2.753 -16.946 8.300 1.00 0.00 O ATOM 0 H GLU A 44 -1.478 -12.774 9.738 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.736 -15.062 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.185 -14.387 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.353 -15.865 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.221 -14.911 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.055 -16.182 8.770 1.00 0.00 H new ATOM 636 N GLU A 45 -0.500 -13.136 12.568 1.00 0.00 N ATOM 637 CA GLU A 45 -0.121 -12.562 13.848 1.00 0.00 C ATOM 638 C GLU A 45 -1.168 -11.560 14.313 1.00 0.00 C ATOM 639 O GLU A 45 -1.348 -11.342 15.512 1.00 0.00 O ATOM 640 CB GLU A 45 1.233 -11.872 13.706 1.00 0.00 C ATOM 641 CG GLU A 45 2.272 -12.900 13.253 1.00 0.00 C ATOM 642 CD GLU A 45 3.646 -12.248 13.132 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.770 -11.091 13.506 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.557 -12.917 12.672 1.00 0.00 O ATOM 0 H GLU A 45 0.172 -12.978 11.817 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.053 -13.357 14.591 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.167 -11.059 12.982 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.531 -11.429 14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.314 -13.723 13.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.978 -13.325 12.293 1.00 0.00 H new ATOM 651 N GLY A 46 -1.854 -10.946 13.356 1.00 0.00 N ATOM 652 CA GLY A 46 -2.877 -9.964 13.682 1.00 0.00 C ATOM 653 C GLY A 46 -2.240 -8.720 14.273 1.00 0.00 C ATOM 654 O GLY A 46 -2.756 -8.135 15.226 1.00 0.00 O ATOM 0 H GLY A 46 -1.721 -11.109 12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.439 -9.703 12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.587 -10.390 14.391 1.00 0.00 H new ATOM 658 N ASP A 47 -1.108 -8.325 13.707 1.00 0.00 N ATOM 659 CA ASP A 47 -0.401 -7.154 14.185 1.00 0.00 C ATOM 660 C ASP A 47 -1.277 -5.921 14.064 1.00 0.00 C ATOM 661 O ASP A 47 -2.422 -6.000 13.616 1.00 0.00 O ATOM 662 CB ASP A 47 0.872 -6.957 13.366 1.00 0.00 C ATOM 663 CG ASP A 47 0.516 -6.770 11.895 1.00 0.00 C ATOM 664 OD1 ASP A 47 -0.648 -6.536 11.612 1.00 0.00 O ATOM 665 OD2 ASP A 47 1.413 -6.867 11.074 1.00 0.00 O ATOM 0 H ASP A 47 -0.664 -8.798 12.920 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.145 -7.302 15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.419 -6.088 13.731 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.528 -7.819 13.484 1.00 0.00 H new ATOM 670 N GLU A 48 -0.733 -4.784 14.463 1.00 0.00 N ATOM 671 CA GLU A 48 -1.476 -3.536 14.390 1.00 0.00 C ATOM 672 C GLU A 48 -1.567 -3.063 12.943 1.00 0.00 C ATOM 673 O GLU A 48 -0.626 -3.228 12.165 1.00 0.00 O ATOM 674 CB GLU A 48 -0.798 -2.464 15.238 1.00 0.00 C ATOM 675 CG GLU A 48 0.718 -2.647 15.180 1.00 0.00 C ATOM 676 CD GLU A 48 1.207 -3.316 16.457 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.306 -2.630 17.462 1.00 0.00 O ATOM 678 OE2 GLU A 48 1.474 -4.505 16.416 1.00 0.00 O ATOM 0 H GLU A 48 0.212 -4.698 14.838 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.481 -3.709 14.775 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.069 -1.473 14.874 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.143 -2.530 16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.987 -3.253 14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.206 -1.680 15.056 1.00 0.00 H new ATOM 685 N PRO A 49 -2.674 -2.490 12.570 1.00 0.00 N ATOM 686 CA PRO A 49 -2.895 -1.992 11.183 1.00 0.00 C ATOM 687 C PRO A 49 -2.077 -0.738 10.867 1.00 0.00 C ATOM 688 O PRO A 49 -1.767 0.059 11.753 1.00 0.00 O ATOM 689 CB PRO A 49 -4.393 -1.682 11.151 1.00 0.00 C ATOM 690 CG PRO A 49 -4.757 -1.387 12.569 1.00 0.00 C ATOM 691 CD PRO A 49 -3.844 -2.252 13.430 1.00 0.00 C ATOM 0 HA PRO A 49 -2.581 -2.722 10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.606 -0.831 10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.963 -2.527 10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.618 -0.330 12.795 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.805 -1.619 12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.565 -1.744 14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.329 -3.186 13.714 1.00 0.00 H new ATOM 699 N GLN A 50 -1.748 -0.569 9.591 1.00 0.00 N ATOM 700 CA GLN A 50 -0.988 0.592 9.139 1.00 0.00 C ATOM 701 C GLN A 50 -1.788 1.318 8.071 1.00 0.00 C ATOM 702 O GLN A 50 -2.540 0.687 7.339 1.00 0.00 O ATOM 703 CB GLN A 50 0.353 0.141 8.559 1.00 0.00 C ATOM 704 CG GLN A 50 1.168 -0.542 9.655 1.00 0.00 C ATOM 705 CD GLN A 50 2.054 -1.623 9.047 1.00 0.00 C ATOM 706 OE1 GLN A 50 2.950 -1.324 8.260 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.848 -2.872 9.365 1.00 0.00 N ATOM 0 H GLN A 50 -1.996 -1.223 8.849 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.802 1.259 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.191 -0.545 7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.899 0.998 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.782 0.193 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.500 -0.981 10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.104 -3.116 10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.431 -3.604 8.960 1.00 0.00 H new ATOM 716 N TYR A 51 -1.654 2.634 7.986 1.00 0.00 N ATOM 717 CA TYR A 51 -2.419 3.374 6.986 1.00 0.00 C ATOM 718 C TYR A 51 -1.528 4.246 6.109 1.00 0.00 C ATOM 719 O TYR A 51 -0.637 4.941 6.598 1.00 0.00 O ATOM 720 CB TYR A 51 -3.461 4.264 7.673 1.00 0.00 C ATOM 721 CG TYR A 51 -4.381 3.418 8.519 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.489 2.788 7.938 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.128 3.269 9.887 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.343 2.009 8.726 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.983 2.489 10.677 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.092 1.860 10.095 1.00 0.00 C ATOM 727 OH TYR A 51 -6.935 1.089 10.872 1.00 0.00 O ATOM 0 H TYR A 51 -1.044 3.199 8.576 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.908 2.637 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.963 5.008 8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.038 4.808 6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.684 2.904 6.882 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.274 3.755 10.334 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.197 1.522 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.788 2.373 11.733 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.902 0.159 10.566 1.00 0.00 H new ATOM 737 N LEU A 52 -1.809 4.231 4.809 1.00 0.00 N ATOM 738 CA LEU A 52 -1.068 5.048 3.860 1.00 0.00 C ATOM 739 C LEU A 52 -2.045 5.956 3.126 1.00 0.00 C ATOM 740 O LEU A 52 -3.054 5.495 2.593 1.00 0.00 O ATOM 741 CB LEU A 52 -0.328 4.175 2.851 1.00 0.00 C ATOM 742 CG LEU A 52 0.545 3.167 3.596 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.281 2.278 2.589 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.567 3.913 4.461 1.00 0.00 C ATOM 0 H LEU A 52 -2.545 3.661 4.391 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.332 5.642 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.041 3.653 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.288 4.795 2.200 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.086 2.547 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.903 1.560 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.555 1.744 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.910 2.897 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.189 3.193 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.196 4.536 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.044 4.541 5.182 1.00 0.00 H new ATOM 756 N ASP A 53 -1.757 7.244 3.117 1.00 0.00 N ATOM 757 CA ASP A 53 -2.644 8.196 2.460 1.00 0.00 C ATOM 758 C ASP A 53 -2.104 8.646 1.105 1.00 0.00 C ATOM 759 O ASP A 53 -0.931 8.987 0.965 1.00 0.00 O ATOM 760 CB ASP A 53 -2.869 9.407 3.361 1.00 0.00 C ATOM 761 CG ASP A 53 -3.545 8.971 4.657 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.420 8.122 4.589 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.176 9.489 5.697 1.00 0.00 O ATOM 0 H ASP A 53 -0.929 7.655 3.549 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.592 7.689 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.917 9.889 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.488 10.143 2.848 1.00 0.00 H new ATOM 768 N LEU A 54 -2.989 8.637 0.112 1.00 0.00 N ATOM 769 CA LEU A 54 -2.641 9.036 -1.247 1.00 0.00 C ATOM 770 C LEU A 54 -3.691 10.024 -1.758 1.00 0.00 C ATOM 771 O LEU A 54 -4.816 10.047 -1.256 1.00 0.00 O ATOM 772 CB LEU A 54 -2.607 7.798 -2.156 1.00 0.00 C ATOM 773 CG LEU A 54 -1.982 6.618 -1.407 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.373 5.309 -2.093 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.461 6.764 -1.416 1.00 0.00 C ATOM 0 H LEU A 54 -3.962 8.354 0.226 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.658 9.508 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.617 7.543 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.033 8.013 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.343 6.607 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.927 4.471 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.458 5.206 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.013 5.316 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.012 5.926 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.103 6.774 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.182 7.697 -0.926 1.00 0.00 H new ATOM 787 N PRO A 55 -3.361 10.838 -2.729 1.00 0.00 N ATOM 788 CA PRO A 55 -4.323 11.833 -3.280 1.00 0.00 C ATOM 789 C PRO A 55 -5.429 11.174 -4.099 1.00 0.00 C ATOM 790 O PRO A 55 -5.290 10.041 -4.554 1.00 0.00 O ATOM 791 CB PRO A 55 -3.468 12.753 -4.156 1.00 0.00 C ATOM 792 CG PRO A 55 -2.205 12.008 -4.448 1.00 0.00 C ATOM 793 CD PRO A 55 -2.057 10.896 -3.404 1.00 0.00 C ATOM 0 HA PRO A 55 -4.839 12.370 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.991 13.006 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.255 13.690 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.236 11.586 -5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.349 12.681 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.812 9.943 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.256 11.119 -2.699 1.00 0.00 H new ATOM 801 N SER A 56 -6.528 11.901 -4.286 1.00 0.00 N ATOM 802 CA SER A 56 -7.651 11.380 -5.060 1.00 0.00 C ATOM 803 C SER A 56 -7.189 10.991 -6.462 1.00 0.00 C ATOM 804 O SER A 56 -7.920 10.338 -7.207 1.00 0.00 O ATOM 805 CB SER A 56 -8.768 12.422 -5.156 1.00 0.00 C ATOM 806 OG SER A 56 -8.239 13.634 -5.679 1.00 0.00 O ATOM 0 H SER A 56 -6.664 12.842 -3.917 1.00 0.00 H new ATOM 0 HA SER A 56 -8.037 10.497 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.569 12.055 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.203 12.597 -4.172 1.00 0.00 H new ATOM 0 HG SER A 56 -8.953 14.302 -5.743 1.00 0.00 H new ATOM 812 N THR A 57 -5.973 11.402 -6.816 1.00 0.00 N ATOM 813 CA THR A 57 -5.427 11.090 -8.136 1.00 0.00 C ATOM 814 C THR A 57 -4.631 9.786 -8.117 1.00 0.00 C ATOM 815 O THR A 57 -4.219 9.290 -9.165 1.00 0.00 O ATOM 816 CB THR A 57 -4.522 12.231 -8.609 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.512 12.462 -7.638 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.353 13.500 -8.807 1.00 0.00 C ATOM 0 H THR A 57 -5.353 11.946 -6.216 1.00 0.00 H new ATOM 0 HA THR A 57 -6.264 10.971 -8.823 1.00 0.00 H new ATOM 0 HB THR A 57 -4.058 11.960 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.930 13.191 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.706 14.310 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.124 13.317 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.822 13.779 -7.863 1.00 0.00 H new ATOM 826 N ALA A 58 -4.419 9.225 -6.929 1.00 0.00 N ATOM 827 CA ALA A 58 -3.675 7.972 -6.820 1.00 0.00 C ATOM 828 C ALA A 58 -4.584 6.786 -7.123 1.00 0.00 C ATOM 829 O ALA A 58 -5.706 6.712 -6.623 1.00 0.00 O ATOM 830 CB ALA A 58 -3.087 7.821 -5.413 1.00 0.00 C ATOM 0 H ALA A 58 -4.745 9.609 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.862 7.993 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.536 6.883 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.413 8.653 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.894 7.820 -4.680 1.00 0.00 H new ATOM 836 N THR A 59 -4.093 5.859 -7.940 1.00 0.00 N ATOM 837 CA THR A 59 -4.872 4.677 -8.294 1.00 0.00 C ATOM 838 C THR A 59 -4.081 3.403 -8.017 1.00 0.00 C ATOM 839 O THR A 59 -4.515 2.306 -8.371 1.00 0.00 O ATOM 840 CB THR A 59 -5.261 4.719 -9.773 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.097 4.919 -10.566 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.257 5.858 -10.007 1.00 0.00 C ATOM 0 H THR A 59 -3.167 5.902 -8.366 1.00 0.00 H new ATOM 0 HA THR A 59 -5.774 4.675 -7.681 1.00 0.00 H new ATOM 0 HB THR A 59 -5.726 3.775 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.347 4.944 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.534 5.888 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.148 5.692 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.799 6.806 -9.725 1.00 0.00 H new ATOM 850 N SER A 60 -2.925 3.549 -7.375 1.00 0.00 N ATOM 851 CA SER A 60 -2.091 2.398 -7.049 1.00 0.00 C ATOM 852 C SER A 60 -1.086 2.763 -5.967 1.00 0.00 C ATOM 853 O SER A 60 -0.729 3.930 -5.808 1.00 0.00 O ATOM 854 CB SER A 60 -1.352 1.904 -8.293 1.00 0.00 C ATOM 855 OG SER A 60 -0.433 2.903 -8.719 1.00 0.00 O ATOM 0 H SER A 60 -2.547 4.447 -7.072 1.00 0.00 H new ATOM 0 HA SER A 60 -2.737 1.601 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.823 0.977 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.063 1.684 -9.089 1.00 0.00 H new ATOM 0 HG SER A 60 0.044 2.590 -9.515 1.00 0.00 H new ATOM 861 N VAL A 61 -0.647 1.764 -5.212 1.00 0.00 N ATOM 862 CA VAL A 61 0.303 2.008 -4.139 1.00 0.00 C ATOM 863 C VAL A 61 1.148 0.768 -3.853 1.00 0.00 C ATOM 864 O VAL A 61 0.675 -0.363 -3.966 1.00 0.00 O ATOM 865 CB VAL A 61 -0.456 2.402 -2.876 1.00 0.00 C ATOM 866 CG1 VAL A 61 -1.191 1.178 -2.328 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.529 2.925 -1.829 1.00 0.00 C ATOM 0 H VAL A 61 -0.930 0.790 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 61 0.970 2.813 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.178 3.185 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.735 1.454 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.893 0.810 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.469 0.396 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.014 3.206 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.252 2.146 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.052 3.796 -2.224 1.00 0.00 H new ATOM 877 N ASN A 62 2.395 0.997 -3.460 1.00 0.00 N ATOM 878 CA ASN A 62 3.299 -0.100 -3.130 1.00 0.00 C ATOM 879 C ASN A 62 3.435 -0.208 -1.610 1.00 0.00 C ATOM 880 O ASN A 62 3.703 0.786 -0.939 1.00 0.00 O ATOM 881 CB ASN A 62 4.676 0.133 -3.750 1.00 0.00 C ATOM 882 CG ASN A 62 5.576 -1.069 -3.472 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.397 -2.131 -4.065 1.00 0.00 O ATOM 884 ND2 ASN A 62 6.534 -0.964 -2.592 1.00 0.00 N ATOM 0 H ASN A 62 2.803 1.927 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 62 2.887 -1.026 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.580 0.287 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.123 1.037 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.136 -1.764 -2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.681 -0.082 -2.101 1.00 0.00 H new ATOM 891 N ILE A 63 3.239 -1.410 -1.074 1.00 0.00 N ATOM 892 CA ILE A 63 3.335 -1.622 0.366 1.00 0.00 C ATOM 893 C ILE A 63 4.626 -2.350 0.728 1.00 0.00 C ATOM 894 O ILE A 63 4.709 -3.572 0.608 1.00 0.00 O ATOM 895 CB ILE A 63 2.143 -2.443 0.852 1.00 0.00 C ATOM 896 CG1 ILE A 63 0.860 -1.927 0.189 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.028 -2.327 2.373 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.349 -2.343 1.030 1.00 0.00 C ATOM 0 H ILE A 63 3.014 -2.247 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 63 3.335 -0.646 0.851 1.00 0.00 H new ATOM 0 HB ILE A 63 2.287 -3.490 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.896 -0.842 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.771 -2.330 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.177 -2.913 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.940 -2.703 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.885 -1.282 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.262 -1.977 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.387 -3.430 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.260 -1.918 2.030 1.00 0.00 H new ATOM 910 N PRO A 64 5.626 -1.633 1.171 1.00 0.00 N ATOM 911 CA PRO A 64 6.931 -2.223 1.562 1.00 0.00 C ATOM 912 C PRO A 64 6.964 -2.623 3.035 1.00 0.00 C ATOM 913 O PRO A 64 5.938 -2.626 3.717 1.00 0.00 O ATOM 914 CB PRO A 64 7.898 -1.079 1.294 1.00 0.00 C ATOM 915 CG PRO A 64 7.117 0.159 1.610 1.00 0.00 C ATOM 916 CD PRO A 64 5.640 -0.172 1.346 1.00 0.00 C ATOM 0 HA PRO A 64 7.160 -3.140 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.787 -1.157 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.236 -1.080 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.267 0.457 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.444 0.992 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.007 0.136 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.269 0.340 0.458 1.00 0.00 H new ATOM 924 N ASP A 65 8.157 -2.952 3.512 1.00 0.00 N ATOM 925 CA ASP A 65 8.345 -3.347 4.903 1.00 0.00 C ATOM 926 C ASP A 65 7.469 -4.548 5.241 1.00 0.00 C ATOM 927 O ASP A 65 6.942 -4.658 6.348 1.00 0.00 O ATOM 928 CB ASP A 65 7.992 -2.173 5.819 1.00 0.00 C ATOM 929 CG ASP A 65 8.920 -0.997 5.536 1.00 0.00 C ATOM 930 OD1 ASP A 65 9.994 -1.230 5.008 1.00 0.00 O ATOM 931 OD2 ASP A 65 8.541 0.120 5.849 1.00 0.00 O ATOM 0 H ASP A 65 9.012 -2.953 2.955 1.00 0.00 H new ATOM 0 HA ASP A 65 9.388 -3.626 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.955 -1.876 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.081 -2.475 6.863 1.00 0.00 H new ATOM 936 N LEU A 66 7.325 -5.451 4.275 1.00 0.00 N ATOM 937 CA LEU A 66 6.522 -6.651 4.468 1.00 0.00 C ATOM 938 C LEU A 66 7.414 -7.809 4.915 1.00 0.00 C ATOM 939 O LEU A 66 8.523 -7.976 4.404 1.00 0.00 O ATOM 940 CB LEU A 66 5.798 -6.990 3.162 1.00 0.00 C ATOM 941 CG LEU A 66 4.961 -5.781 2.724 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.089 -6.153 1.524 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.063 -5.336 3.881 1.00 0.00 C ATOM 0 H LEU A 66 7.754 -5.373 3.353 1.00 0.00 H new ATOM 0 HA LEU A 66 5.779 -6.477 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.520 -7.248 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.157 -7.860 3.302 1.00 0.00 H new ATOM 0 HG LEU A 66 5.631 -4.969 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.499 -5.288 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.724 -6.467 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.421 -6.970 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.468 -4.477 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.400 -6.154 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.681 -5.060 4.735 1.00 0.00 H new ATOM 955 N LEU A 67 6.939 -8.597 5.879 1.00 0.00 N ATOM 956 CA LEU A 67 7.728 -9.718 6.382 1.00 0.00 C ATOM 957 C LEU A 67 7.542 -10.957 5.510 1.00 0.00 C ATOM 958 O LEU A 67 6.453 -11.527 5.464 1.00 0.00 O ATOM 959 CB LEU A 67 7.309 -10.054 7.817 1.00 0.00 C ATOM 960 CG LEU A 67 7.967 -9.072 8.778 1.00 0.00 C ATOM 961 CD1 LEU A 67 7.187 -9.042 10.096 1.00 0.00 C ATOM 962 CD2 LEU A 67 9.395 -9.535 9.050 1.00 0.00 C ATOM 0 H LEU A 67 6.027 -8.482 6.321 1.00 0.00 H new ATOM 0 HA LEU A 67 8.777 -9.423 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.224 -10.002 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.603 -11.074 8.064 1.00 0.00 H new ATOM 0 HG LEU A 67 7.973 -8.074 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.659 -8.339 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.161 -8.728 9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.185 -10.037 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.878 -8.840 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.376 -10.530 9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.952 -9.566 8.114 1.00 0.00 H new ATOM 974 N PRO A 68 8.574 -11.395 4.832 1.00 0.00 N ATOM 975 CA PRO A 68 8.491 -12.600 3.965 1.00 0.00 C ATOM 976 C PRO A 68 7.961 -13.810 4.735 1.00 0.00 C ATOM 977 O PRO A 68 8.356 -14.047 5.875 1.00 0.00 O ATOM 978 CB PRO A 68 9.932 -12.853 3.509 1.00 0.00 C ATOM 979 CG PRO A 68 10.695 -11.596 3.776 1.00 0.00 C ATOM 980 CD PRO A 68 9.912 -10.784 4.812 1.00 0.00 C ATOM 0 HA PRO A 68 7.805 -12.446 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.368 -13.692 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.964 -13.107 2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.694 -11.827 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.821 -11.023 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.384 -10.833 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.862 -9.731 4.535 1.00 0.00 H new ATOM 988 N GLY A 69 7.080 -14.578 4.101 1.00 0.00 N ATOM 989 CA GLY A 69 6.524 -15.770 4.736 1.00 0.00 C ATOM 990 C GLY A 69 5.329 -15.435 5.627 1.00 0.00 C ATOM 991 O GLY A 69 4.906 -16.258 6.441 1.00 0.00 O ATOM 0 H GLY A 69 6.738 -14.400 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.217 -16.481 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.296 -16.258 5.332 1.00 0.00 H new ATOM 995 N ARG A 70 4.782 -14.232 5.469 1.00 0.00 N ATOM 996 CA ARG A 70 3.632 -13.819 6.269 1.00 0.00 C ATOM 997 C ARG A 70 2.491 -13.384 5.362 1.00 0.00 C ATOM 998 O ARG A 70 2.722 -12.859 4.274 1.00 0.00 O ATOM 999 CB ARG A 70 4.017 -12.661 7.190 1.00 0.00 C ATOM 1000 CG ARG A 70 5.289 -13.015 7.959 1.00 0.00 C ATOM 1001 CD ARG A 70 4.986 -14.101 8.987 1.00 0.00 C ATOM 1002 NE ARG A 70 5.425 -13.666 10.307 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.704 -13.412 10.552 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.593 -13.578 9.612 1.00 0.00 N ATOM 1005 NH2 ARG A 70 7.070 -12.994 11.732 1.00 0.00 N ATOM 0 H ARG A 70 5.112 -13.534 4.803 1.00 0.00 H new ATOM 0 HA ARG A 70 3.310 -14.667 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.175 -11.755 6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.205 -12.453 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.058 -13.360 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.682 -12.129 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.917 -14.314 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.492 -15.027 8.712 1.00 0.00 H new ATOM 0 HE ARG A 70 4.739 -13.555 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.305 -13.903 8.689 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.576 -13.383 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.373 -12.863 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.053 -12.798 11.922 1.00 0.00 H new ATOM 1019 N LYS A 71 1.260 -13.596 5.814 1.00 0.00 N ATOM 1020 CA LYS A 71 0.110 -13.206 5.021 1.00 0.00 C ATOM 1021 C LYS A 71 -0.438 -11.873 5.504 1.00 0.00 C ATOM 1022 O LYS A 71 -0.580 -11.642 6.704 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.980 -14.270 5.091 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.053 -13.931 4.059 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.160 -14.983 4.088 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.019 -14.832 2.833 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.969 -15.974 2.739 1.00 0.00 N ATOM 0 H LYS A 71 1.039 -14.029 6.711 1.00 0.00 H new ATOM 0 HA LYS A 71 0.432 -13.104 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.560 -15.256 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.413 -14.304 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.471 -12.946 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.610 -13.885 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.729 -15.983 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.773 -14.861 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.568 -13.891 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.385 -14.800 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.553 -15.870 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.436 -16.866 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.583 -15.985 3.579 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.732 -10.999 4.556 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.255 -9.680 4.884 1.00 0.00 C ATOM 1043 C TYR A 72 -2.612 -9.440 4.240 1.00 0.00 C ATOM 1044 O TYR A 72 -2.920 -9.980 3.178 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.310 -8.597 4.374 1.00 0.00 C ATOM 1046 CG TYR A 72 1.056 -8.740 4.988 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.957 -9.683 4.481 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.429 -7.913 6.052 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.231 -9.799 5.042 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.705 -8.026 6.607 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.604 -8.968 6.103 1.00 0.00 C ATOM 1052 OH TYR A 72 4.859 -9.068 6.645 1.00 0.00 O ATOM 0 H TYR A 72 -0.619 -11.176 3.558 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.351 -9.638 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.233 -8.659 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.717 -7.614 4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.668 -10.320 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.731 -7.188 6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.927 -10.530 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.997 -7.385 7.426 1.00 0.00 H new ATOM 0 HH TYR A 72 4.913 -8.512 7.450 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.393 -8.577 4.869 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.692 -8.199 4.343 1.00 0.00 C ATOM 1064 C ILE A 73 -4.595 -6.766 3.863 1.00 0.00 C ATOM 1065 O ILE A 73 -4.179 -5.891 4.609 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.761 -8.329 5.426 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.850 -9.794 5.849 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.116 -7.868 4.882 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.836 -9.940 7.006 1.00 0.00 C ATOM 0 H ILE A 73 -3.147 -8.124 5.749 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.975 -8.855 3.519 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.497 -7.707 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.171 -10.406 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.867 -10.156 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.873 -7.964 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.047 -6.826 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.394 -8.485 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.895 -10.987 7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.496 -9.341 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.821 -9.596 6.690 1.00 0.00 H new ATOM 1081 N VAL A 74 -4.955 -6.534 2.613 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.871 -5.197 2.051 1.00 0.00 C ATOM 1083 C VAL A 74 -6.256 -4.665 1.723 1.00 0.00 C ATOM 1084 O VAL A 74 -7.048 -5.327 1.051 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.015 -5.234 0.780 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.806 -3.814 0.249 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.655 -5.860 1.105 1.00 0.00 C ATOM 0 H VAL A 74 -5.305 -7.246 1.973 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.413 -4.534 2.785 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.524 -5.828 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.197 -3.849 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.772 -3.366 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.300 -3.214 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.043 -5.888 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.152 -5.263 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.801 -6.874 1.477 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.540 -3.462 2.200 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.831 -2.841 1.951 1.00 0.00 C ATOM 1099 C ASN A 75 -7.645 -1.380 1.564 1.00 0.00 C ATOM 1100 O ASN A 75 -7.038 -0.608 2.306 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.700 -2.931 3.209 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.653 -4.345 3.766 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.381 -5.222 3.302 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.828 -4.622 4.738 1.00 0.00 N ATOM 0 H ASN A 75 -5.898 -2.900 2.758 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.322 -3.366 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.346 -2.223 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.728 -2.657 2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.785 -5.568 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.226 -3.892 5.120 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.179 -0.998 0.410 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.061 0.385 -0.033 1.00 0.00 C ATOM 1113 C VAL A 76 -9.376 1.114 0.185 1.00 0.00 C ATOM 1114 O VAL A 76 -10.429 0.657 -0.253 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.707 0.447 -1.516 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.359 1.890 -1.888 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.508 -0.461 -1.795 1.00 0.00 C ATOM 0 H VAL A 76 -8.688 -1.613 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.270 0.860 0.547 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.556 0.111 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.105 1.942 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.216 2.534 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.508 2.224 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.256 -0.416 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.654 -0.128 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.758 -1.487 -1.525 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.307 2.256 0.851 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.500 3.045 1.108 1.00 0.00 C ATOM 1129 C TYR A 77 -10.377 4.394 0.424 1.00 0.00 C ATOM 1130 O TYR A 77 -9.299 4.988 0.402 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.670 3.271 2.613 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.688 1.950 3.345 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.887 1.239 3.481 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.506 1.441 3.897 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.902 0.019 4.168 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.523 0.223 4.585 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.720 -0.489 4.721 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.738 -1.689 5.402 1.00 0.00 O ATOM 0 H TYR A 77 -8.444 2.654 1.221 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.364 2.506 0.720 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.856 3.891 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.597 3.812 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.799 1.631 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.581 1.989 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.826 -0.531 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.611 -0.168 5.012 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.835 -1.898 5.721 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.477 4.895 -0.115 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.438 6.195 -0.765 1.00 0.00 C ATOM 1150 C GLN A 78 -12.068 7.214 0.173 1.00 0.00 C ATOM 1151 O GLN A 78 -13.123 6.958 0.756 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.192 6.163 -2.100 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.672 6.480 -1.872 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.469 6.181 -3.136 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.842 5.787 -4.212 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.694 6.309 -3.146 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.387 4.435 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.404 6.467 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.758 6.887 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.089 5.181 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.056 5.888 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.790 7.528 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.181 6.617 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.221 6.107 -3.996 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.416 8.356 0.340 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.937 9.370 1.243 1.00 0.00 C ATOM 1167 C ILE A 79 -12.694 10.432 0.478 1.00 0.00 C ATOM 1168 O ILE A 79 -12.178 11.034 -0.465 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.801 10.028 2.023 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.969 8.942 2.700 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.396 10.945 3.092 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.812 9.575 3.472 1.00 0.00 C ATOM 0 H ILE A 79 -10.543 8.600 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.616 8.878 1.939 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.172 10.608 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.595 8.362 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.582 8.249 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.591 11.419 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.006 11.712 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.016 10.359 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.224 8.793 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.179 10.135 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.207 10.249 4.232 1.00 0.00 H new ATOM 1184 N SER A 80 -13.924 10.656 0.898 1.00 0.00 N ATOM 1185 CA SER A 80 -14.762 11.646 0.264 1.00 0.00 C ATOM 1186 C SER A 80 -14.447 13.025 0.819 1.00 0.00 C ATOM 1187 O SER A 80 -13.739 13.158 1.817 1.00 0.00 O ATOM 1188 CB SER A 80 -16.227 11.314 0.508 1.00 0.00 C ATOM 1189 OG SER A 80 -16.572 11.695 1.830 1.00 0.00 O ATOM 0 H SER A 80 -14.362 10.164 1.676 1.00 0.00 H new ATOM 0 HA SER A 80 -14.568 11.642 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.857 11.838 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.400 10.247 0.366 1.00 0.00 H new ATOM 0 HG SER A 80 -17.547 11.677 1.932 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.971 14.046 0.164 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.734 15.416 0.592 1.00 0.00 C ATOM 1197 C GLU A 81 -15.292 15.660 1.992 1.00 0.00 C ATOM 1198 O GLU A 81 -14.903 16.618 2.660 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.378 16.380 -0.403 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.666 16.261 -1.751 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.307 17.196 -2.770 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.262 17.866 -2.414 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.832 17.229 -3.895 1.00 0.00 O ATOM 0 H GLU A 81 -15.561 13.955 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.658 15.587 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.438 16.150 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.311 17.403 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.610 16.506 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.717 15.232 -2.108 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.211 14.801 2.433 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.808 14.966 3.757 1.00 0.00 C ATOM 1212 C ASP A 82 -16.062 14.146 4.814 1.00 0.00 C ATOM 1213 O ASP A 82 -16.448 14.134 5.983 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.279 14.548 3.724 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.391 13.032 3.606 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.377 12.370 3.755 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.489 12.555 3.381 1.00 0.00 O ATOM 0 H ASP A 82 -16.553 13.999 1.904 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.732 16.019 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.782 14.888 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.781 15.024 2.882 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.987 13.477 4.403 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.189 12.677 5.334 1.00 0.00 C ATOM 1224 C GLY A 83 -14.703 11.242 5.459 1.00 0.00 C ATOM 1225 O GLY A 83 -14.278 10.504 6.349 1.00 0.00 O ATOM 0 H GLY A 83 -14.649 13.471 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.152 12.661 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.199 13.150 6.316 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.604 10.848 4.568 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.147 9.491 4.598 1.00 0.00 C ATOM 1231 C GLU A 84 -15.268 8.533 3.799 1.00 0.00 C ATOM 1232 O GLU A 84 -14.736 8.892 2.750 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.569 9.487 4.035 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.518 10.107 5.066 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.618 9.197 6.285 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.394 8.008 6.132 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.911 9.704 7.355 1.00 0.00 O ATOM 0 H GLU A 84 -15.972 11.439 3.823 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.167 9.153 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.606 10.051 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.879 8.468 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.155 11.091 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.505 10.251 4.626 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.131 7.308 4.302 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.325 6.295 3.627 1.00 0.00 C ATOM 1246 C GLN A 85 -15.210 5.259 2.942 1.00 0.00 C ATOM 1247 O GLN A 85 -16.301 4.942 3.417 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.399 5.592 4.624 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.200 6.489 4.908 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.241 5.822 5.890 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -9.954 5.938 5.702 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.672 5.178 6.847 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.565 6.995 5.170 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.724 6.801 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.935 5.377 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.066 4.636 4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.678 6.710 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.541 7.440 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.678 5.090 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.023 4.733 7.496 1.00 0.00 H new ATOM 1261 N SER A 86 -14.726 4.741 1.819 1.00 0.00 N ATOM 1262 CA SER A 86 -15.472 3.744 1.068 1.00 0.00 C ATOM 1263 C SER A 86 -14.549 2.626 0.596 1.00 0.00 C ATOM 1264 O SER A 86 -13.552 2.880 -0.086 1.00 0.00 O ATOM 1265 CB SER A 86 -16.131 4.400 -0.144 1.00 0.00 C ATOM 1266 OG SER A 86 -15.366 4.109 -1.304 1.00 0.00 O ATOM 0 H SER A 86 -13.826 4.994 1.412 1.00 0.00 H new ATOM 0 HA SER A 86 -16.236 3.320 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.150 4.031 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.197 5.478 0.002 1.00 0.00 H new ATOM 0 HG SER A 86 -14.430 3.966 -1.051 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.887 1.389 0.951 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.080 0.244 0.543 1.00 0.00 C ATOM 1274 C LEU A 87 -14.289 -0.044 -0.937 1.00 0.00 C ATOM 1275 O LEU A 87 -15.389 -0.395 -1.361 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.474 -0.994 1.359 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.572 -2.172 0.981 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.229 -2.049 1.707 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.245 -3.489 1.384 1.00 0.00 C ATOM 0 H LEU A 87 -15.705 1.156 1.514 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.030 0.478 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.384 -0.782 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.517 -1.248 1.171 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.406 -2.162 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.590 -2.889 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.744 -1.116 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.396 -2.054 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.600 -4.325 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.415 -3.496 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.199 -3.584 0.865 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.230 0.110 -1.719 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.319 -0.134 -3.150 1.00 0.00 C ATOM 1293 C ILE A 88 -12.551 -1.394 -3.533 1.00 0.00 C ATOM 1294 O ILE A 88 -12.794 -1.982 -4.587 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.759 1.067 -3.913 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.281 1.240 -3.558 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.534 2.330 -3.521 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.643 2.260 -4.503 1.00 0.00 C ATOM 0 H ILE A 88 -12.309 0.400 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.367 -0.277 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.861 0.902 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.181 1.574 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.763 0.284 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.134 3.186 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.588 2.202 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.432 2.502 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.590 2.382 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.730 1.908 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.154 3.218 -4.403 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.627 -1.809 -2.675 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.843 -3.007 -2.954 1.00 0.00 C ATOM 1312 C LEU A 89 -10.317 -3.645 -1.675 1.00 0.00 C ATOM 1313 O LEU A 89 -9.597 -3.012 -0.903 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.661 -2.673 -3.863 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.945 -3.970 -4.249 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.717 -4.673 -5.370 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.528 -3.652 -4.730 1.00 0.00 C ATOM 0 H LEU A 89 -11.404 -1.344 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.506 -3.715 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.008 -2.155 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.972 -2.000 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.895 -4.624 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.204 -5.596 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.725 -4.906 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.772 -4.019 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.021 -4.577 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.577 -2.994 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.975 -3.158 -3.931 1.00 0.00 H new ATOM 1329 N SER A 90 -10.658 -4.913 -1.478 1.00 0.00 N ATOM 1330 CA SER A 90 -10.193 -5.652 -0.312 1.00 0.00 C ATOM 1331 C SER A 90 -9.644 -7.001 -0.761 1.00 0.00 C ATOM 1332 O SER A 90 -10.370 -7.806 -1.344 1.00 0.00 O ATOM 1333 CB SER A 90 -11.339 -5.870 0.674 1.00 0.00 C ATOM 1334 OG SER A 90 -10.836 -6.513 1.838 1.00 0.00 O ATOM 0 H SER A 90 -11.253 -5.449 -2.109 1.00 0.00 H new ATOM 0 HA SER A 90 -9.410 -5.078 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.794 -4.915 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.119 -6.478 0.216 1.00 0.00 H new ATOM 0 HG SER A 90 -10.157 -5.945 2.258 1.00 0.00 H new ATOM 1340 N THR A 91 -8.367 -7.248 -0.501 1.00 0.00 N ATOM 1341 CA THR A 91 -7.761 -8.510 -0.907 1.00 0.00 C ATOM 1342 C THR A 91 -6.593 -8.859 0.001 1.00 0.00 C ATOM 1343 O THR A 91 -6.066 -8.003 0.701 1.00 0.00 O ATOM 1344 CB THR A 91 -7.275 -8.418 -2.357 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.033 -9.725 -2.860 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.984 -7.602 -2.412 1.00 0.00 C ATOM 0 H THR A 91 -7.739 -6.604 -0.019 1.00 0.00 H new ATOM 0 HA THR A 91 -8.515 -9.293 -0.828 1.00 0.00 H new ATOM 0 HB THR A 91 -8.037 -7.931 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.724 -9.666 -3.788 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.638 -7.537 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.171 -6.599 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.221 -8.087 -1.804 1.00 0.00 H new ATOM 1354 N SER A 92 -6.192 -10.119 -0.019 1.00 0.00 N ATOM 1355 CA SER A 92 -5.080 -10.554 0.808 1.00 0.00 C ATOM 1356 C SER A 92 -3.964 -11.119 -0.060 1.00 0.00 C ATOM 1357 O SER A 92 -4.211 -11.632 -1.153 1.00 0.00 O ATOM 1358 CB SER A 92 -5.553 -11.618 1.799 1.00 0.00 C ATOM 1359 OG SER A 92 -5.688 -12.864 1.125 1.00 0.00 O ATOM 0 H SER A 92 -6.614 -10.850 -0.591 1.00 0.00 H new ATOM 0 HA SER A 92 -4.697 -9.695 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.840 -11.710 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.506 -11.324 2.238 1.00 0.00 H new ATOM 0 HG SER A 92 -6.274 -13.454 1.643 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.741 -11.037 0.441 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.593 -11.559 -0.283 1.00 0.00 C ATOM 1367 C GLN A 93 -0.664 -12.280 0.672 1.00 0.00 C ATOM 1368 O GLN A 93 -0.662 -12.017 1.874 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.812 -10.435 -0.969 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.573 -9.932 -2.196 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.657 -9.046 -3.039 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.572 -8.829 -2.645 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.068 -8.545 -4.087 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.519 -10.615 1.343 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.965 -12.247 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.653 -9.614 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.173 -10.796 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.926 -10.776 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.454 -9.370 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.026 -8.715 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.450 -7.960 -4.649 1.00 0.00 H new ATOM 1382 N THR A 94 0.136 -13.178 0.124 1.00 0.00 N ATOM 1383 CA THR A 94 1.086 -13.923 0.927 1.00 0.00 C ATOM 1384 C THR A 94 2.487 -13.705 0.372 1.00 0.00 C ATOM 1385 O THR A 94 2.777 -14.088 -0.760 1.00 0.00 O ATOM 1386 CB THR A 94 0.735 -15.411 0.899 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.677 -15.560 0.853 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.275 -16.084 2.158 1.00 0.00 C ATOM 0 H THR A 94 0.146 -13.407 -0.870 1.00 0.00 H new ATOM 0 HA THR A 94 1.047 -13.575 1.959 1.00 0.00 H new ATOM 0 HB THR A 94 1.181 -15.875 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.905 -16.513 0.833 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.025 -17.145 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.358 -15.967 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.828 -15.622 3.038 1.00 0.00 H new ATOM 1396 N THR A 95 3.345 -13.080 1.162 1.00 0.00 N ATOM 1397 CA THR A 95 4.704 -12.808 0.717 1.00 0.00 C ATOM 1398 C THR A 95 5.440 -14.108 0.397 1.00 0.00 C ATOM 1399 O THR A 95 6.408 -14.049 -0.346 1.00 0.00 O ATOM 1400 CB THR A 95 5.467 -12.041 1.797 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.387 -12.750 3.026 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.865 -10.644 1.971 1.00 0.00 C ATOM 1403 OXT THR A 95 5.028 -15.140 0.899 1.00 0.00 O ATOM 0 H THR A 95 3.129 -12.754 2.104 1.00 0.00 H new ATOM 0 HA THR A 95 4.651 -12.203 -0.188 1.00 0.00 H new ATOM 0 HB THR A 95 6.511 -11.944 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.814 -12.225 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.415 -10.104 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.932 -10.099 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.819 -10.733 2.265 1.00 0.00 H new TER 1411 THR A 95