USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 863 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 109 SER OG : rot 180:sc= -0.081 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0.0292 USER MOD Set 2.1: A 95 THR OG1 : rot -68:sc= 1.06 USER MOD Set 2.2: A 98 ASN : amide:sc= -2.97! C(o=-1.9!,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0813 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 6 GLN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.3!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.17 USER MOD Single : A 21 CYS SG : rot -137:sc= 0.593 USER MOD Single : A 22 GLN : amide:sc= -4.45! C(o=-4.5!,f=-11!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.03) USER MOD Single : A 32 THR OG1 : rot -73:sc= -3.85! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 41 HIS : no HE2:sc= -0.683 K(o=-0.68,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -2! (180deg=-2.44!) USER MOD Single : A 47 SER OG : rot 146:sc= -0.203 USER MOD Single : A 48 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.022) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 29:sc= 0.824 USER MOD Single : A 64 LYS NZ :NH3+ 143:sc= -0.301 (180deg=-1.56!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0225 K(o=-0.022,f=-0.81) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.01! USER MOD Single : A 76 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 84 ASN : amide:sc= -4.03! K(o=-4!,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= -3.07! (180deg=-4.08!) USER MOD Single : A 96 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-2.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0664) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.664 29.599 -19.674 1.00 0.00 N ATOM 2 CA MET A 1 -10.039 29.804 -18.246 1.00 0.00 C ATOM 3 C MET A 1 -11.544 29.608 -18.083 1.00 0.00 C ATOM 4 O MET A 1 -12.289 29.604 -19.062 1.00 0.00 O ATOM 5 CB MET A 1 -9.638 31.220 -17.814 1.00 0.00 C ATOM 6 CG MET A 1 -10.817 32.179 -18.006 1.00 0.00 C ATOM 7 SD MET A 1 -10.202 33.876 -18.126 1.00 0.00 S ATOM 8 CE MET A 1 -11.773 34.658 -18.567 1.00 0.00 C ATOM 0 H1 MET A 1 -9.037 28.773 -19.753 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.522 29.437 -20.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.171 30.443 -20.028 1.00 0.00 H new ATOM 0 HA MET A 1 -9.518 29.080 -17.619 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.328 31.216 -16.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.783 31.559 -18.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.370 31.917 -18.908 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.511 32.091 -17.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.623 35.730 -18.692 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.142 34.232 -19.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.501 34.484 -17.775 1.00 0.00 H new ATOM 18 N THR A 2 -11.981 29.446 -16.839 1.00 0.00 N ATOM 19 CA THR A 2 -13.399 29.251 -16.557 1.00 0.00 C ATOM 20 C THR A 2 -13.707 29.605 -15.106 1.00 0.00 C ATOM 21 O THR A 2 -12.859 30.144 -14.396 1.00 0.00 O ATOM 22 CB THR A 2 -13.789 27.795 -16.823 1.00 0.00 C ATOM 23 OG1 THR A 2 -15.192 27.713 -17.029 1.00 0.00 O ATOM 24 CG2 THR A 2 -13.394 26.933 -15.625 1.00 0.00 C ATOM 0 H THR A 2 -11.379 29.446 -16.015 1.00 0.00 H new ATOM 0 HA THR A 2 -13.975 29.906 -17.211 1.00 0.00 H new ATOM 0 HB THR A 2 -13.270 27.435 -17.712 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.443 26.782 -17.201 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.672 25.896 -15.815 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.317 26.997 -15.470 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.911 27.290 -14.734 1.00 0.00 H new ATOM 32 N ALA A 3 -14.926 29.299 -14.673 1.00 0.00 N ATOM 33 CA ALA A 3 -15.331 29.590 -13.302 1.00 0.00 C ATOM 34 C ALA A 3 -14.758 28.554 -12.339 1.00 0.00 C ATOM 35 O ALA A 3 -13.686 27.998 -12.578 1.00 0.00 O ATOM 36 CB ALA A 3 -16.858 29.597 -13.199 1.00 0.00 C ATOM 0 H ALA A 3 -15.644 28.854 -15.245 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.944 30.572 -13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.152 29.815 -12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.264 30.360 -13.863 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.247 28.621 -13.488 1.00 0.00 H new ATOM 42 N GLU A 4 -15.477 28.304 -11.251 1.00 0.00 N ATOM 43 CA GLU A 4 -15.031 27.337 -10.254 1.00 0.00 C ATOM 44 C GLU A 4 -14.911 25.945 -10.865 1.00 0.00 C ATOM 45 O GLU A 4 -15.147 25.757 -12.058 1.00 0.00 O ATOM 46 CB GLU A 4 -16.019 27.298 -9.087 1.00 0.00 C ATOM 47 CG GLU A 4 -15.901 28.591 -8.276 1.00 0.00 C ATOM 48 CD GLU A 4 -16.884 28.567 -7.110 1.00 0.00 C ATOM 49 OE1 GLU A 4 -17.989 28.087 -7.300 1.00 0.00 O ATOM 50 OE2 GLU A 4 -16.516 29.029 -6.042 1.00 0.00 O ATOM 0 H GLU A 4 -16.367 28.755 -11.037 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.050 27.646 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.036 27.182 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.813 26.437 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.883 28.704 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.103 29.451 -8.915 1.00 0.00 H new ATOM 57 N LEU A 5 -14.546 24.972 -10.036 1.00 0.00 N ATOM 58 CA LEU A 5 -14.402 23.598 -10.502 1.00 0.00 C ATOM 59 C LEU A 5 -15.717 22.842 -10.345 1.00 0.00 C ATOM 60 O LEU A 5 -16.702 23.393 -9.855 1.00 0.00 O ATOM 61 CB LEU A 5 -13.301 22.889 -9.709 1.00 0.00 C ATOM 62 CG LEU A 5 -12.048 23.768 -9.671 1.00 0.00 C ATOM 63 CD1 LEU A 5 -11.821 24.387 -11.052 1.00 0.00 C ATOM 64 CD2 LEU A 5 -12.228 24.887 -8.639 1.00 0.00 C ATOM 0 H LEU A 5 -14.346 25.108 -9.045 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.131 23.617 -11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.644 22.683 -8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.070 21.928 -10.168 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.189 23.157 -9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.929 25.013 -11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.688 23.595 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.684 24.994 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.333 25.509 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.088 25.499 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.391 24.450 -7.654 1.00 0.00 H new ATOM 76 N GLN A 6 -15.726 21.579 -10.764 1.00 0.00 N ATOM 77 CA GLN A 6 -16.930 20.759 -10.666 1.00 0.00 C ATOM 78 C GLN A 6 -18.178 21.634 -10.696 1.00 0.00 C ATOM 79 O GLN A 6 -18.616 22.145 -9.665 1.00 0.00 O ATOM 80 CB GLN A 6 -16.905 19.945 -9.371 1.00 0.00 C ATOM 81 CG GLN A 6 -16.579 18.485 -9.688 1.00 0.00 C ATOM 82 CD GLN A 6 -16.533 17.671 -8.399 1.00 0.00 C ATOM 83 OE1 GLN A 6 -15.563 16.955 -8.149 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.530 17.739 -7.558 1.00 0.00 N ATOM 0 H GLN A 6 -14.920 21.104 -11.171 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.955 20.081 -11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.161 20.354 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.870 20.012 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.331 18.074 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.621 18.421 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.333 18.332 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.505 17.199 -6.693 1.00 0.00 H new ATOM 93 N GLN A 7 -18.743 21.809 -11.886 1.00 0.00 N ATOM 94 CA GLN A 7 -19.938 22.633 -12.044 1.00 0.00 C ATOM 95 C GLN A 7 -21.119 22.040 -11.276 1.00 0.00 C ATOM 96 O GLN A 7 -21.060 21.876 -10.059 1.00 0.00 O ATOM 97 CB GLN A 7 -20.291 22.756 -13.528 1.00 0.00 C ATOM 98 CG GLN A 7 -19.284 23.679 -14.220 1.00 0.00 C ATOM 99 CD GLN A 7 -18.788 23.037 -15.511 1.00 0.00 C ATOM 100 OE1 GLN A 7 -18.784 21.812 -15.635 1.00 0.00 O ATOM 101 NE2 GLN A 7 -18.368 23.796 -16.486 1.00 0.00 N ATOM 0 H GLN A 7 -18.396 21.394 -12.751 1.00 0.00 H new ATOM 0 HA GLN A 7 -19.728 23.622 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -20.281 21.772 -13.998 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -21.300 23.152 -13.641 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -19.750 24.640 -14.438 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -18.443 23.876 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -18.372 24.811 -16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -18.035 23.375 -17.353 1.00 0.00 H new ATOM 110 N ASP A 8 -22.195 21.729 -11.998 1.00 0.00 N ATOM 111 CA ASP A 8 -23.391 21.165 -11.381 1.00 0.00 C ATOM 112 C ASP A 8 -23.032 20.070 -10.388 1.00 0.00 C ATOM 113 O ASP A 8 -23.774 19.802 -9.443 1.00 0.00 O ATOM 114 CB ASP A 8 -24.309 20.590 -12.460 1.00 0.00 C ATOM 115 CG ASP A 8 -25.691 20.318 -11.880 1.00 0.00 C ATOM 116 OD1 ASP A 8 -25.937 20.744 -10.763 1.00 0.00 O ATOM 117 OD2 ASP A 8 -26.484 19.689 -12.560 1.00 0.00 O ATOM 0 H ASP A 8 -22.261 21.858 -13.008 1.00 0.00 H new ATOM 0 HA ASP A 8 -23.904 21.964 -10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -24.387 21.289 -13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -23.884 19.668 -12.856 1.00 0.00 H new ATOM 122 N ASP A 9 -21.895 19.442 -10.617 1.00 0.00 N ATOM 123 CA ASP A 9 -21.433 18.367 -9.747 1.00 0.00 C ATOM 124 C ASP A 9 -21.259 18.867 -8.319 1.00 0.00 C ATOM 125 O ASP A 9 -21.249 18.085 -7.369 1.00 0.00 O ATOM 126 CB ASP A 9 -20.104 17.816 -10.263 1.00 0.00 C ATOM 127 CG ASP A 9 -20.359 16.702 -11.273 1.00 0.00 C ATOM 128 OD1 ASP A 9 -20.943 16.988 -12.306 1.00 0.00 O ATOM 129 OD2 ASP A 9 -19.966 15.580 -11.000 1.00 0.00 O ATOM 0 H ASP A 9 -21.272 19.654 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 9 -22.182 17.575 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -19.526 18.614 -10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.511 17.436 -9.431 1.00 0.00 H new ATOM 134 N ALA A 10 -21.122 20.176 -8.184 1.00 0.00 N ATOM 135 CA ALA A 10 -20.947 20.793 -6.873 1.00 0.00 C ATOM 136 C ALA A 10 -22.151 20.513 -5.978 1.00 0.00 C ATOM 137 O ALA A 10 -22.482 19.359 -5.709 1.00 0.00 O ATOM 138 CB ALA A 10 -20.766 22.303 -7.028 1.00 0.00 C ATOM 0 H ALA A 10 -21.128 20.834 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.059 20.364 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.636 22.757 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.886 22.503 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.647 22.727 -7.510 1.00 0.00 H new ATOM 144 N ALA A 11 -22.801 21.578 -5.519 1.00 0.00 N ATOM 145 CA ALA A 11 -23.967 21.435 -4.654 1.00 0.00 C ATOM 146 C ALA A 11 -25.030 20.578 -5.331 1.00 0.00 C ATOM 147 O ALA A 11 -25.896 21.092 -6.040 1.00 0.00 O ATOM 148 CB ALA A 11 -24.549 22.812 -4.328 1.00 0.00 C ATOM 0 H ALA A 11 -22.543 22.542 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 11 -23.655 20.947 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -25.419 22.696 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -23.796 23.414 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -24.847 23.309 -5.251 1.00 0.00 H new ATOM 154 N GLY A 12 -24.958 19.270 -5.107 1.00 0.00 N ATOM 155 CA GLY A 12 -25.921 18.351 -5.701 1.00 0.00 C ATOM 156 C GLY A 12 -25.559 16.906 -5.386 1.00 0.00 C ATOM 157 O GLY A 12 -24.475 16.437 -5.734 1.00 0.00 O ATOM 0 H GLY A 12 -24.249 18.826 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -26.920 18.570 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -25.950 18.496 -6.781 1.00 0.00 H new ATOM 161 N ALA A 13 -26.471 16.204 -4.723 1.00 0.00 N ATOM 162 CA ALA A 13 -26.236 14.811 -4.366 1.00 0.00 C ATOM 163 C ALA A 13 -26.834 13.882 -5.417 1.00 0.00 C ATOM 164 O ALA A 13 -27.730 14.271 -6.165 1.00 0.00 O ATOM 165 CB ALA A 13 -26.859 14.512 -3.001 1.00 0.00 C ATOM 0 H ALA A 13 -27.373 16.574 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.160 14.642 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.680 13.469 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.409 15.157 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -27.932 14.696 -3.043 1.00 0.00 H new ATOM 171 N ALA A 14 -26.333 12.652 -5.469 1.00 0.00 N ATOM 172 CA ALA A 14 -26.828 11.677 -6.436 1.00 0.00 C ATOM 173 C ALA A 14 -28.162 11.096 -5.975 1.00 0.00 C ATOM 174 O ALA A 14 -28.972 11.791 -5.360 1.00 0.00 O ATOM 175 CB ALA A 14 -25.810 10.549 -6.608 1.00 0.00 C ATOM 0 H ALA A 14 -25.591 12.308 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 14 -26.975 12.182 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -26.187 9.826 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -24.867 10.962 -6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -25.650 10.054 -5.650 1.00 0.00 H new ATOM 181 N ASP A 15 -28.382 9.821 -6.275 1.00 0.00 N ATOM 182 CA ASP A 15 -29.621 9.158 -5.886 1.00 0.00 C ATOM 183 C ASP A 15 -30.144 9.730 -4.573 1.00 0.00 C ATOM 184 O ASP A 15 -31.353 9.865 -4.380 1.00 0.00 O ATOM 185 CB ASP A 15 -29.384 7.654 -5.728 1.00 0.00 C ATOM 186 CG ASP A 15 -29.025 7.037 -7.075 1.00 0.00 C ATOM 187 OD1 ASP A 15 -29.310 7.658 -8.085 1.00 0.00 O ATOM 188 OD2 ASP A 15 -28.469 5.951 -7.077 1.00 0.00 O ATOM 0 H ASP A 15 -27.724 9.229 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 15 -30.362 9.329 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -28.581 7.478 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -30.278 7.177 -5.327 1.00 0.00 H new ATOM 193 N GLY A 16 -29.226 10.064 -3.673 1.00 0.00 N ATOM 194 CA GLY A 16 -29.604 10.620 -2.379 1.00 0.00 C ATOM 195 C GLY A 16 -28.893 9.888 -1.246 1.00 0.00 C ATOM 196 O GLY A 16 -29.021 10.258 -0.080 1.00 0.00 O ATOM 0 H GLY A 16 -28.221 9.960 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -29.353 11.680 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -30.683 10.543 -2.247 1.00 0.00 H new ATOM 200 N HIS A 17 -28.145 8.847 -1.598 1.00 0.00 N ATOM 201 CA HIS A 17 -27.418 8.069 -0.601 1.00 0.00 C ATOM 202 C HIS A 17 -25.922 8.345 -0.691 1.00 0.00 C ATOM 203 O HIS A 17 -25.379 8.528 -1.781 1.00 0.00 O ATOM 204 CB HIS A 17 -27.677 6.576 -0.812 1.00 0.00 C ATOM 205 CG HIS A 17 -29.096 6.253 -0.435 1.00 0.00 C ATOM 206 ND1 HIS A 17 -29.532 6.270 0.881 1.00 0.00 N ATOM 207 CD2 HIS A 17 -30.189 5.900 -1.188 1.00 0.00 C ATOM 208 CE1 HIS A 17 -30.836 5.936 0.880 1.00 0.00 C ATOM 209 NE2 HIS A 17 -31.287 5.701 -0.355 1.00 0.00 N ATOM 0 H HIS A 17 -28.027 8.524 -2.558 1.00 0.00 H new ATOM 0 HA HIS A 17 -27.771 8.363 0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -27.497 6.309 -1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -26.986 5.988 -0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -30.196 5.793 -2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -31.444 5.866 1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -32.232 5.433 -0.629 1.00 0.00 H new ATOM 217 N GLY A 18 -25.258 8.373 0.461 1.00 0.00 N ATOM 218 CA GLY A 18 -23.823 8.625 0.501 1.00 0.00 C ATOM 219 C GLY A 18 -23.391 9.101 1.884 1.00 0.00 C ATOM 220 O GLY A 18 -24.113 9.843 2.549 1.00 0.00 O ATOM 0 H GLY A 18 -25.689 8.225 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -23.283 7.715 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.561 9.376 -0.244 1.00 0.00 H new ATOM 224 N SER A 19 -22.207 8.672 2.311 1.00 0.00 N ATOM 225 CA SER A 19 -21.688 9.062 3.616 1.00 0.00 C ATOM 226 C SER A 19 -20.491 9.995 3.461 1.00 0.00 C ATOM 227 O SER A 19 -20.511 11.131 3.936 1.00 0.00 O ATOM 228 CB SER A 19 -21.272 7.821 4.406 1.00 0.00 C ATOM 229 OG SER A 19 -22.381 7.350 5.159 1.00 0.00 O ATOM 0 H SER A 19 -21.593 8.058 1.776 1.00 0.00 H new ATOM 0 HA SER A 19 -22.476 9.588 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.923 7.044 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.442 8.060 5.071 1.00 0.00 H new ATOM 0 HG SER A 19 -22.118 6.553 5.665 1.00 0.00 H new ATOM 235 N SER A 20 -19.451 9.508 2.792 1.00 0.00 N ATOM 236 CA SER A 20 -18.249 10.308 2.579 1.00 0.00 C ATOM 237 C SER A 20 -18.615 11.713 2.111 1.00 0.00 C ATOM 238 O SER A 20 -19.608 11.906 1.408 1.00 0.00 O ATOM 239 CB SER A 20 -17.355 9.639 1.536 1.00 0.00 C ATOM 240 OG SER A 20 -17.771 8.292 1.354 1.00 0.00 O ATOM 0 H SER A 20 -19.415 8.571 2.391 1.00 0.00 H new ATOM 0 HA SER A 20 -17.712 10.381 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.412 10.180 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.314 9.670 1.859 1.00 0.00 H new ATOM 0 HG SER A 20 -17.200 7.861 0.684 1.00 0.00 H new ATOM 246 N CYS A 21 -17.808 12.692 2.507 1.00 0.00 N ATOM 247 CA CYS A 21 -18.055 14.077 2.123 1.00 0.00 C ATOM 248 C CYS A 21 -16.891 14.623 1.300 1.00 0.00 C ATOM 249 O CYS A 21 -15.736 14.268 1.531 1.00 0.00 O ATOM 250 CB CYS A 21 -18.251 14.938 3.372 1.00 0.00 C ATOM 251 SG CYS A 21 -18.650 16.633 2.881 1.00 0.00 S ATOM 0 H CYS A 21 -16.983 12.554 3.090 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.959 14.110 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -19.052 14.528 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.346 14.928 3.979 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.983 17.468 3.622 1.00 0.00 H new ATOM 257 N GLN A 22 -17.205 15.486 0.341 1.00 0.00 N ATOM 258 CA GLN A 22 -16.179 16.074 -0.514 1.00 0.00 C ATOM 259 C GLN A 22 -15.015 16.602 0.322 1.00 0.00 C ATOM 260 O GLN A 22 -13.900 16.757 -0.177 1.00 0.00 O ATOM 261 CB GLN A 22 -16.779 17.219 -1.332 1.00 0.00 C ATOM 262 CG GLN A 22 -17.220 16.694 -2.700 1.00 0.00 C ATOM 263 CD GLN A 22 -18.160 15.506 -2.524 1.00 0.00 C ATOM 264 OE1 GLN A 22 -17.842 14.563 -1.798 1.00 0.00 O ATOM 265 NE2 GLN A 22 -19.305 15.493 -3.150 1.00 0.00 N ATOM 0 H GLN A 22 -18.156 15.793 0.136 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.806 15.300 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.630 17.650 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.045 18.015 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.721 17.485 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.348 16.396 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.567 16.275 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -19.938 14.701 -3.039 1.00 0.00 H new ATOM 274 N MET A 23 -15.283 16.882 1.593 1.00 0.00 N ATOM 275 CA MET A 23 -14.252 17.401 2.485 1.00 0.00 C ATOM 276 C MET A 23 -13.210 16.333 2.794 1.00 0.00 C ATOM 277 O MET A 23 -12.076 16.645 3.159 1.00 0.00 O ATOM 278 CB MET A 23 -14.886 17.888 3.787 1.00 0.00 C ATOM 279 CG MET A 23 -15.614 19.210 3.538 1.00 0.00 C ATOM 280 SD MET A 23 -17.017 19.348 4.673 1.00 0.00 S ATOM 281 CE MET A 23 -17.427 21.075 4.323 1.00 0.00 C ATOM 0 H MET A 23 -16.198 16.760 2.026 1.00 0.00 H new ATOM 0 HA MET A 23 -13.758 18.234 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.585 17.142 4.165 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.119 18.021 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 23 -14.931 20.047 3.684 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.961 19.258 2.506 1.00 0.00 H new ATOM 0 HE1 MET A 23 -18.283 21.376 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.573 21.708 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.673 21.184 3.267 1.00 0.00 H new ATOM 291 N LEU A 24 -13.602 15.079 2.645 1.00 0.00 N ATOM 292 CA LEU A 24 -12.694 13.968 2.911 1.00 0.00 C ATOM 293 C LEU A 24 -11.617 13.894 1.844 1.00 0.00 C ATOM 294 O LEU A 24 -10.428 14.055 2.122 1.00 0.00 O ATOM 295 CB LEU A 24 -13.471 12.650 2.957 1.00 0.00 C ATOM 296 CG LEU A 24 -13.774 12.286 4.411 1.00 0.00 C ATOM 297 CD1 LEU A 24 -14.425 13.478 5.113 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.729 11.091 4.450 1.00 0.00 C ATOM 0 H LEU A 24 -14.536 14.802 2.343 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.219 14.136 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.399 12.743 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.890 11.857 2.486 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.845 12.028 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.640 13.217 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.746 14.331 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.353 13.738 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.945 10.832 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.657 11.350 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.266 10.239 3.952 1.00 0.00 H new ATOM 310 N LEU A 25 -12.052 13.656 0.621 1.00 0.00 N ATOM 311 CA LEU A 25 -11.133 13.564 -0.507 1.00 0.00 C ATOM 312 C LEU A 25 -10.418 14.895 -0.715 1.00 0.00 C ATOM 313 O LEU A 25 -9.241 14.928 -1.074 1.00 0.00 O ATOM 314 CB LEU A 25 -11.896 13.184 -1.777 1.00 0.00 C ATOM 315 CG LEU A 25 -13.371 13.553 -1.619 1.00 0.00 C ATOM 316 CD1 LEU A 25 -14.024 13.661 -2.998 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.082 12.469 -0.804 1.00 0.00 C ATOM 0 H LEU A 25 -13.034 13.522 0.379 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.393 12.794 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.471 13.702 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.796 12.115 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.451 14.510 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.076 13.924 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.519 14.431 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.944 12.705 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.134 12.731 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.000 11.513 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.619 12.391 0.180 1.00 0.00 H new ATOM 329 N ASN A 26 -11.134 15.992 -0.479 1.00 0.00 N ATOM 330 CA ASN A 26 -10.547 17.316 -0.638 1.00 0.00 C ATOM 331 C ASN A 26 -9.391 17.495 0.330 1.00 0.00 C ATOM 332 O ASN A 26 -8.265 17.786 -0.069 1.00 0.00 O ATOM 333 CB ASN A 26 -11.599 18.397 -0.390 1.00 0.00 C ATOM 334 CG ASN A 26 -10.917 19.732 -0.111 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.316 20.323 -1.010 1.00 0.00 O ATOM 336 ND2 ASN A 26 -10.972 20.247 1.088 1.00 0.00 N ATOM 0 H ASN A 26 -12.109 15.990 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.177 17.410 -1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.252 18.487 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.228 18.117 0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.517 21.139 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.470 19.757 1.831 1.00 0.00 H new ATOM 343 N GLN A 27 -9.682 17.300 1.602 1.00 0.00 N ATOM 344 CA GLN A 27 -8.661 17.424 2.634 1.00 0.00 C ATOM 345 C GLN A 27 -7.463 16.558 2.275 1.00 0.00 C ATOM 346 O GLN A 27 -6.353 17.058 2.091 1.00 0.00 O ATOM 347 CB GLN A 27 -9.219 16.984 3.987 1.00 0.00 C ATOM 348 CG GLN A 27 -9.815 18.188 4.717 1.00 0.00 C ATOM 349 CD GLN A 27 -8.816 18.730 5.732 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.475 19.913 5.698 1.00 0.00 O ATOM 351 NE2 GLN A 27 -8.324 17.932 6.641 1.00 0.00 N ATOM 0 H GLN A 27 -10.610 17.056 1.948 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.353 18.467 2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.982 16.219 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.428 16.537 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.075 18.966 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.737 17.898 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.608 16.953 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.656 18.288 7.325 1.00 0.00 H new ATOM 360 N LEU A 28 -7.700 15.255 2.161 1.00 0.00 N ATOM 361 CA LEU A 28 -6.635 14.328 1.804 1.00 0.00 C ATOM 362 C LEU A 28 -5.847 14.886 0.624 1.00 0.00 C ATOM 363 O LEU A 28 -4.623 14.990 0.670 1.00 0.00 O ATOM 364 CB LEU A 28 -7.233 12.970 1.426 1.00 0.00 C ATOM 365 CG LEU A 28 -6.123 11.915 1.377 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.821 11.423 2.793 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.566 10.728 0.515 1.00 0.00 C ATOM 0 H LEU A 28 -8.611 14.821 2.309 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.969 14.201 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.992 12.680 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.728 13.036 0.457 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.228 12.362 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.031 10.673 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.496 12.262 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.720 10.983 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.771 9.983 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.465 10.283 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.778 11.072 -0.497 1.00 0.00 H new ATOM 379 N ARG A 29 -6.568 15.254 -0.430 1.00 0.00 N ATOM 380 CA ARG A 29 -5.942 15.812 -1.622 1.00 0.00 C ATOM 381 C ARG A 29 -5.202 17.101 -1.281 1.00 0.00 C ATOM 382 O ARG A 29 -4.311 17.527 -2.011 1.00 0.00 O ATOM 383 CB ARG A 29 -7.006 16.098 -2.683 1.00 0.00 C ATOM 384 CG ARG A 29 -6.490 17.161 -3.655 1.00 0.00 C ATOM 385 CD ARG A 29 -7.438 17.260 -4.852 1.00 0.00 C ATOM 386 NE ARG A 29 -7.544 18.644 -5.301 1.00 0.00 N ATOM 387 CZ ARG A 29 -8.597 19.061 -5.996 1.00 0.00 C ATOM 388 NH1 ARG A 29 -9.554 18.223 -6.291 1.00 0.00 N ATOM 389 NH2 ARG A 29 -8.674 20.304 -6.386 1.00 0.00 N ATOM 0 H ARG A 29 -7.584 15.176 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.227 15.087 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.249 15.184 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.925 16.441 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.420 18.126 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.486 16.904 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.073 16.633 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.423 16.883 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.798 19.302 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.492 17.251 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.363 18.540 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.925 20.958 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.483 20.622 -6.919 1.00 0.00 H new ATOM 403 N GLU A 30 -5.583 17.721 -0.171 1.00 0.00 N ATOM 404 CA GLU A 30 -4.952 18.966 0.253 1.00 0.00 C ATOM 405 C GLU A 30 -3.706 18.676 1.081 1.00 0.00 C ATOM 406 O GLU A 30 -2.796 19.500 1.168 1.00 0.00 O ATOM 407 CB GLU A 30 -5.936 19.792 1.084 1.00 0.00 C ATOM 408 CG GLU A 30 -5.408 21.221 1.229 1.00 0.00 C ATOM 409 CD GLU A 30 -5.622 21.712 2.656 1.00 0.00 C ATOM 410 OE1 GLU A 30 -6.763 21.956 3.012 1.00 0.00 O ATOM 411 OE2 GLU A 30 -4.643 21.835 3.373 1.00 0.00 O ATOM 0 H GLU A 30 -6.321 17.386 0.449 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.664 19.528 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.915 19.802 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.067 19.340 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.347 21.253 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.920 21.880 0.528 1.00 0.00 H new ATOM 418 N ILE A 31 -3.677 17.495 1.686 1.00 0.00 N ATOM 419 CA ILE A 31 -2.547 17.086 2.511 1.00 0.00 C ATOM 420 C ILE A 31 -1.480 16.429 1.662 1.00 0.00 C ATOM 421 O ILE A 31 -0.305 16.794 1.697 1.00 0.00 O ATOM 422 CB ILE A 31 -3.022 16.079 3.558 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.159 16.699 4.369 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.860 15.717 4.483 1.00 0.00 C ATOM 425 CD1 ILE A 31 -5.016 15.607 5.020 1.00 0.00 C ATOM 0 H ILE A 31 -4.424 16.803 1.621 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.132 17.971 2.993 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.379 15.175 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.749 17.354 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.780 17.318 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.199 14.999 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.052 15.278 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.499 16.616 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.820 16.069 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.442 14.969 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.396 15.006 5.685 1.00 0.00 H new ATOM 437 N THR A 32 -1.920 15.439 0.922 1.00 0.00 N ATOM 438 CA THR A 32 -1.045 14.666 0.061 1.00 0.00 C ATOM 439 C THR A 32 -0.809 15.363 -1.273 1.00 0.00 C ATOM 440 O THR A 32 0.288 15.303 -1.827 1.00 0.00 O ATOM 441 CB THR A 32 -1.702 13.319 -0.190 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.700 13.479 -1.188 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.354 12.832 1.100 1.00 0.00 C ATOM 0 H THR A 32 -2.896 15.143 0.897 1.00 0.00 H new ATOM 0 HA THR A 32 -0.079 14.552 0.552 1.00 0.00 H new ATOM 0 HB THR A 32 -0.958 12.594 -0.519 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.471 13.949 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.827 11.866 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.595 12.730 1.875 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.107 13.552 1.422 1.00 0.00 H new ATOM 451 N GLY A 33 -1.845 16.010 -1.794 1.00 0.00 N ATOM 452 CA GLY A 33 -1.722 16.692 -3.078 1.00 0.00 C ATOM 453 C GLY A 33 -1.922 15.704 -4.217 1.00 0.00 C ATOM 454 O GLY A 33 -1.275 15.799 -5.260 1.00 0.00 O ATOM 0 H GLY A 33 -2.764 16.077 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.460 17.491 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.740 17.157 -3.159 1.00 0.00 H new ATOM 458 N ILE A 34 -2.812 14.742 -3.998 1.00 0.00 N ATOM 459 CA ILE A 34 -3.083 13.720 -4.999 1.00 0.00 C ATOM 460 C ILE A 34 -4.351 14.050 -5.782 1.00 0.00 C ATOM 461 O ILE A 34 -5.323 14.559 -5.225 1.00 0.00 O ATOM 462 CB ILE A 34 -3.235 12.361 -4.311 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.065 12.160 -3.332 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.261 11.251 -5.367 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.035 11.183 -3.887 1.00 0.00 C ATOM 0 H ILE A 34 -3.355 14.650 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.248 13.686 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.171 12.325 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.588 13.119 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.445 11.788 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.369 10.284 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.101 11.411 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.331 11.267 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.223 11.064 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.508 10.217 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.637 11.568 -4.826 1.00 0.00 H new ATOM 477 N GLN A 35 -4.328 13.758 -7.078 1.00 0.00 N ATOM 478 CA GLN A 35 -5.476 14.025 -7.939 1.00 0.00 C ATOM 479 C GLN A 35 -6.091 12.718 -8.428 1.00 0.00 C ATOM 480 O GLN A 35 -6.758 12.683 -9.462 1.00 0.00 O ATOM 481 CB GLN A 35 -5.042 14.866 -9.139 1.00 0.00 C ATOM 482 CG GLN A 35 -5.046 16.346 -8.754 1.00 0.00 C ATOM 483 CD GLN A 35 -4.683 17.199 -9.965 1.00 0.00 C ATOM 484 OE1 GLN A 35 -5.543 17.874 -10.530 1.00 0.00 O ATOM 485 NE2 GLN A 35 -3.453 17.207 -10.400 1.00 0.00 N ATOM 0 H GLN A 35 -3.530 13.338 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.222 14.572 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.046 14.567 -9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.716 14.696 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.029 16.631 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.334 16.523 -7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.742 16.647 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.202 17.774 -11.210 1.00 0.00 H new ATOM 494 N ASP A 36 -5.857 11.647 -7.680 1.00 0.00 N ATOM 495 CA ASP A 36 -6.386 10.340 -8.047 1.00 0.00 C ATOM 496 C ASP A 36 -7.442 9.892 -7.043 1.00 0.00 C ATOM 497 O ASP A 36 -7.191 9.009 -6.222 1.00 0.00 O ATOM 498 CB ASP A 36 -5.252 9.316 -8.086 1.00 0.00 C ATOM 499 CG ASP A 36 -4.487 9.438 -9.399 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.611 10.469 -10.041 1.00 0.00 O ATOM 501 OD2 ASP A 36 -3.787 8.501 -9.744 1.00 0.00 O ATOM 0 H ASP A 36 -5.308 11.657 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.845 10.414 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.577 9.476 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.656 8.309 -7.983 1.00 0.00 H new ATOM 506 N PRO A 37 -8.607 10.477 -7.092 1.00 0.00 N ATOM 507 CA PRO A 37 -9.715 10.132 -6.166 1.00 0.00 C ATOM 508 C PRO A 37 -9.733 8.652 -5.826 1.00 0.00 C ATOM 509 O PRO A 37 -10.251 8.239 -4.789 1.00 0.00 O ATOM 510 CB PRO A 37 -10.945 10.528 -6.963 1.00 0.00 C ATOM 511 CG PRO A 37 -10.513 11.696 -7.789 1.00 0.00 C ATOM 512 CD PRO A 37 -9.009 11.532 -8.038 1.00 0.00 C ATOM 0 HA PRO A 37 -9.636 10.634 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.289 9.706 -7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.772 10.795 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.060 11.726 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.719 12.633 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.804 11.244 -9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.470 12.461 -7.853 1.00 0.00 H new ATOM 520 N SER A 38 -9.162 7.867 -6.719 1.00 0.00 N ATOM 521 CA SER A 38 -9.102 6.422 -6.539 1.00 0.00 C ATOM 522 C SER A 38 -8.109 6.041 -5.441 1.00 0.00 C ATOM 523 O SER A 38 -8.457 5.320 -4.503 1.00 0.00 O ATOM 524 CB SER A 38 -8.692 5.753 -7.851 1.00 0.00 C ATOM 525 OG SER A 38 -9.102 6.567 -8.941 1.00 0.00 O ATOM 0 H SER A 38 -8.731 8.203 -7.580 1.00 0.00 H new ATOM 0 HA SER A 38 -10.092 6.078 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.612 5.608 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.148 4.766 -7.927 1.00 0.00 H new ATOM 0 HG SER A 38 -8.839 6.142 -9.784 1.00 0.00 H new ATOM 531 N PHE A 39 -6.873 6.530 -5.546 1.00 0.00 N ATOM 532 CA PHE A 39 -5.871 6.218 -4.539 1.00 0.00 C ATOM 533 C PHE A 39 -6.219 6.953 -3.248 1.00 0.00 C ATOM 534 O PHE A 39 -5.863 6.517 -2.148 1.00 0.00 O ATOM 535 CB PHE A 39 -4.473 6.596 -5.068 1.00 0.00 C ATOM 536 CG PHE A 39 -3.702 7.410 -4.055 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.199 8.640 -3.629 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.483 6.936 -3.548 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.489 9.399 -2.704 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.771 7.704 -2.618 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.281 8.938 -2.199 1.00 0.00 C ATOM 0 H PHE A 39 -6.550 7.132 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.859 5.149 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.916 5.690 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.574 7.164 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.138 9.005 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.095 5.982 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.880 10.351 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.831 7.345 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.734 9.532 -1.482 1.00 0.00 H new ATOM 551 N LEU A 40 -6.949 8.058 -3.395 1.00 0.00 N ATOM 552 CA LEU A 40 -7.374 8.841 -2.246 1.00 0.00 C ATOM 553 C LEU A 40 -8.453 8.070 -1.503 1.00 0.00 C ATOM 554 O LEU A 40 -8.393 7.901 -0.284 1.00 0.00 O ATOM 555 CB LEU A 40 -7.916 10.206 -2.700 1.00 0.00 C ATOM 556 CG LEU A 40 -6.749 11.143 -3.045 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.694 11.411 -4.551 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.912 12.472 -2.308 1.00 0.00 C ATOM 0 H LEU A 40 -7.255 8.426 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.524 9.015 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.562 10.080 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.526 10.646 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.823 10.658 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.860 12.077 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.558 10.470 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.625 11.878 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.080 13.131 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.849 12.941 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.923 12.293 -1.233 1.00 0.00 H new ATOM 570 N HIS A 41 -9.428 7.576 -2.260 1.00 0.00 N ATOM 571 CA HIS A 41 -10.502 6.792 -1.676 1.00 0.00 C ATOM 572 C HIS A 41 -9.928 5.500 -1.116 1.00 0.00 C ATOM 573 O HIS A 41 -10.467 4.927 -0.169 1.00 0.00 O ATOM 574 CB HIS A 41 -11.561 6.475 -2.732 1.00 0.00 C ATOM 575 CG HIS A 41 -12.673 7.482 -2.637 1.00 0.00 C ATOM 576 ND1 HIS A 41 -14.006 7.131 -2.791 1.00 0.00 N ATOM 577 CD2 HIS A 41 -12.667 8.836 -2.404 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.740 8.250 -2.649 1.00 0.00 C ATOM 579 NE2 HIS A 41 -13.973 9.318 -2.413 1.00 0.00 N ATOM 0 H HIS A 41 -9.494 7.705 -3.270 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.971 7.364 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.117 6.499 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.952 5.469 -2.581 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.365 6.195 -2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.784 9.435 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.817 8.281 -2.717 1.00 0.00 H new ATOM 587 N GLU A 42 -8.814 5.056 -1.698 1.00 0.00 N ATOM 588 CA GLU A 42 -8.162 3.841 -1.235 1.00 0.00 C ATOM 589 C GLU A 42 -7.663 4.052 0.185 1.00 0.00 C ATOM 590 O GLU A 42 -7.978 3.282 1.091 1.00 0.00 O ATOM 591 CB GLU A 42 -6.987 3.491 -2.154 1.00 0.00 C ATOM 592 CG GLU A 42 -6.277 2.235 -1.640 1.00 0.00 C ATOM 593 CD GLU A 42 -4.882 2.141 -2.249 1.00 0.00 C ATOM 594 OE1 GLU A 42 -4.184 3.141 -2.234 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.532 1.071 -2.719 1.00 0.00 O ATOM 0 H GLU A 42 -8.352 5.517 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.876 3.018 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.346 3.326 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.286 4.324 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.207 2.265 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.856 1.348 -1.898 1.00 0.00 H new ATOM 602 N ALA A 43 -6.888 5.110 0.371 1.00 0.00 N ATOM 603 CA ALA A 43 -6.357 5.423 1.689 1.00 0.00 C ATOM 604 C ALA A 43 -7.494 5.646 2.676 1.00 0.00 C ATOM 605 O ALA A 43 -7.410 5.248 3.839 1.00 0.00 O ATOM 606 CB ALA A 43 -5.499 6.682 1.619 1.00 0.00 C ATOM 0 H ALA A 43 -6.615 5.760 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.748 4.584 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.105 6.910 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.672 6.521 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.106 7.517 1.269 1.00 0.00 H new ATOM 612 N LEU A 44 -8.556 6.288 2.206 1.00 0.00 N ATOM 613 CA LEU A 44 -9.706 6.563 3.059 1.00 0.00 C ATOM 614 C LEU A 44 -10.402 5.259 3.429 1.00 0.00 C ATOM 615 O LEU A 44 -11.004 5.145 4.498 1.00 0.00 O ATOM 616 CB LEU A 44 -10.703 7.479 2.334 1.00 0.00 C ATOM 617 CG LEU A 44 -10.402 8.961 2.611 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.331 9.217 4.117 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.073 9.357 1.963 1.00 0.00 C ATOM 0 H LEU A 44 -8.646 6.626 1.248 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.354 7.060 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.659 7.291 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.717 7.245 2.658 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.205 9.562 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.117 10.271 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.285 8.957 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.540 8.607 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.869 10.408 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.271 8.746 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.132 9.199 0.886 1.00 0.00 H new ATOM 631 N LYS A 45 -10.321 4.280 2.533 1.00 0.00 N ATOM 632 CA LYS A 45 -10.953 2.987 2.765 1.00 0.00 C ATOM 633 C LYS A 45 -10.133 2.140 3.739 1.00 0.00 C ATOM 634 O LYS A 45 -10.689 1.369 4.520 1.00 0.00 O ATOM 635 CB LYS A 45 -11.120 2.251 1.427 1.00 0.00 C ATOM 636 CG LYS A 45 -10.080 1.130 1.298 1.00 0.00 C ATOM 637 CD LYS A 45 -10.005 0.659 -0.155 1.00 0.00 C ATOM 638 CE LYS A 45 -10.753 -0.667 -0.295 1.00 0.00 C ATOM 639 NZ LYS A 45 -11.938 -0.662 0.609 1.00 0.00 N ATOM 0 H LYS A 45 -9.826 4.357 1.644 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.933 3.153 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.124 1.833 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.010 2.954 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.104 1.488 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.348 0.296 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.442 1.408 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.965 0.537 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.070 -0.812 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.094 -1.498 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.591 -1.422 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.627 -0.815 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.424 0.255 0.539 1.00 0.00 H new ATOM 653 N ALA A 46 -8.813 2.282 3.681 1.00 0.00 N ATOM 654 CA ALA A 46 -7.938 1.514 4.559 1.00 0.00 C ATOM 655 C ALA A 46 -7.843 2.168 5.934 1.00 0.00 C ATOM 656 O ALA A 46 -7.794 1.482 6.956 1.00 0.00 O ATOM 657 CB ALA A 46 -6.541 1.409 3.943 1.00 0.00 C ATOM 0 H ALA A 46 -8.330 2.914 3.043 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.360 0.516 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.894 0.834 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.606 0.910 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.127 2.408 3.808 1.00 0.00 H new ATOM 663 N SER A 47 -7.814 3.495 5.952 1.00 0.00 N ATOM 664 CA SER A 47 -7.722 4.229 7.208 1.00 0.00 C ATOM 665 C SER A 47 -8.997 4.058 8.029 1.00 0.00 C ATOM 666 O SER A 47 -9.035 4.398 9.211 1.00 0.00 O ATOM 667 CB SER A 47 -7.487 5.713 6.928 1.00 0.00 C ATOM 668 OG SER A 47 -8.476 6.180 6.019 1.00 0.00 O ATOM 0 H SER A 47 -7.853 4.081 5.118 1.00 0.00 H new ATOM 0 HA SER A 47 -6.884 3.829 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.532 6.282 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.492 5.863 6.510 1.00 0.00 H new ATOM 0 HG SER A 47 -8.702 7.110 6.231 1.00 0.00 H new ATOM 674 N ASN A 48 -10.038 3.529 7.395 1.00 0.00 N ATOM 675 CA ASN A 48 -11.309 3.317 8.081 1.00 0.00 C ATOM 676 C ASN A 48 -12.035 4.641 8.291 1.00 0.00 C ATOM 677 O ASN A 48 -12.665 4.857 9.326 1.00 0.00 O ATOM 678 CB ASN A 48 -11.063 2.650 9.435 1.00 0.00 C ATOM 679 CG ASN A 48 -12.277 1.818 9.833 1.00 0.00 C ATOM 680 OD1 ASN A 48 -12.135 0.779 10.477 1.00 0.00 O ATOM 681 ND2 ASN A 48 -13.471 2.216 9.487 1.00 0.00 N ATOM 0 H ASN A 48 -10.029 3.241 6.416 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.931 2.670 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.178 2.016 9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.867 3.408 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.288 1.666 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.587 3.077 8.953 1.00 0.00 H new ATOM 688 N GLY A 49 -11.943 5.526 7.305 1.00 0.00 N ATOM 689 CA GLY A 49 -12.597 6.825 7.395 1.00 0.00 C ATOM 690 C GLY A 49 -11.639 7.878 7.942 1.00 0.00 C ATOM 691 O GLY A 49 -11.815 9.072 7.705 1.00 0.00 O ATOM 0 H GLY A 49 -11.426 5.369 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.952 7.127 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.472 6.753 8.041 1.00 0.00 H new ATOM 695 N ASP A 50 -10.626 7.427 8.673 1.00 0.00 N ATOM 696 CA ASP A 50 -9.645 8.343 9.244 1.00 0.00 C ATOM 697 C ASP A 50 -8.814 8.984 8.138 1.00 0.00 C ATOM 698 O ASP A 50 -8.226 8.291 7.309 1.00 0.00 O ATOM 699 CB ASP A 50 -8.728 7.594 10.211 1.00 0.00 C ATOM 700 CG ASP A 50 -9.416 7.434 11.562 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.625 7.282 11.574 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.722 7.467 12.565 1.00 0.00 O ATOM 0 H ASP A 50 -10.463 6.442 8.883 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.175 9.125 9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.477 6.615 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.791 8.138 10.333 1.00 0.00 H new ATOM 707 N ILE A 51 -8.776 10.310 8.125 1.00 0.00 N ATOM 708 CA ILE A 51 -8.019 11.027 7.108 1.00 0.00 C ATOM 709 C ILE A 51 -6.525 11.011 7.433 1.00 0.00 C ATOM 710 O ILE A 51 -5.717 10.547 6.631 1.00 0.00 O ATOM 711 CB ILE A 51 -8.555 12.470 6.986 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.745 12.836 5.509 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.590 13.475 7.627 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.725 14.003 5.404 1.00 0.00 C ATOM 0 H ILE A 51 -9.255 10.906 8.800 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.146 10.528 6.147 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.510 12.515 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.788 13.108 5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.123 11.977 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.994 14.482 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.467 13.238 8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.623 13.420 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.864 14.268 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.683 13.713 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.328 14.862 5.946 1.00 0.00 H new ATOM 726 N THR A 52 -6.162 11.514 8.608 1.00 0.00 N ATOM 727 CA THR A 52 -4.763 11.546 9.013 1.00 0.00 C ATOM 728 C THR A 52 -4.092 10.215 8.720 1.00 0.00 C ATOM 729 O THR A 52 -3.055 10.162 8.069 1.00 0.00 O ATOM 730 CB THR A 52 -4.646 11.839 10.504 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.006 13.190 10.752 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.203 11.599 10.942 1.00 0.00 C ATOM 0 H THR A 52 -6.812 11.902 9.291 1.00 0.00 H new ATOM 0 HA THR A 52 -4.269 12.335 8.446 1.00 0.00 H new ATOM 0 HB THR A 52 -5.314 11.185 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.932 13.377 11.711 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.107 11.806 12.008 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.932 10.561 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.539 12.258 10.383 1.00 0.00 H new ATOM 740 N GLN A 53 -4.683 9.135 9.202 1.00 0.00 N ATOM 741 CA GLN A 53 -4.111 7.826 8.960 1.00 0.00 C ATOM 742 C GLN A 53 -3.948 7.618 7.461 1.00 0.00 C ATOM 743 O GLN A 53 -2.849 7.356 6.976 1.00 0.00 O ATOM 744 CB GLN A 53 -5.010 6.738 9.543 1.00 0.00 C ATOM 745 CG GLN A 53 -4.876 6.728 11.067 1.00 0.00 C ATOM 746 CD GLN A 53 -5.340 5.386 11.624 1.00 0.00 C ATOM 747 OE1 GLN A 53 -5.720 4.495 10.864 1.00 0.00 O ATOM 748 NE2 GLN A 53 -5.328 5.187 12.914 1.00 0.00 N ATOM 0 H GLN A 53 -5.542 9.138 9.752 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.137 7.766 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.047 6.918 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.732 5.765 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.839 6.909 11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.470 7.534 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.013 5.927 13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.634 4.292 13.295 1.00 0.00 H new ATOM 757 N ALA A 54 -5.047 7.770 6.726 1.00 0.00 N ATOM 758 CA ALA A 54 -5.009 7.616 5.278 1.00 0.00 C ATOM 759 C ALA A 54 -3.756 8.272 4.742 1.00 0.00 C ATOM 760 O ALA A 54 -2.948 7.651 4.051 1.00 0.00 O ATOM 761 CB ALA A 54 -6.247 8.261 4.649 1.00 0.00 C ATOM 0 H ALA A 54 -5.966 7.997 7.107 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.002 6.556 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.210 8.141 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.145 7.780 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.269 9.323 4.896 1.00 0.00 H new ATOM 767 N VAL A 55 -3.597 9.527 5.097 1.00 0.00 N ATOM 768 CA VAL A 55 -2.431 10.287 4.690 1.00 0.00 C ATOM 769 C VAL A 55 -1.178 9.474 4.947 1.00 0.00 C ATOM 770 O VAL A 55 -0.388 9.208 4.046 1.00 0.00 O ATOM 771 CB VAL A 55 -2.367 11.589 5.487 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.164 12.406 5.039 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.651 12.381 5.263 1.00 0.00 C ATOM 0 H VAL A 55 -4.262 10.047 5.669 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.502 10.515 3.626 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.264 11.364 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.121 13.334 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.252 11.834 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.256 12.637 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.609 13.311 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.758 12.608 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.505 11.791 5.596 1.00 0.00 H new ATOM 783 N SER A 56 -1.023 9.084 6.195 1.00 0.00 N ATOM 784 CA SER A 56 0.123 8.292 6.622 1.00 0.00 C ATOM 785 C SER A 56 0.313 7.069 5.733 1.00 0.00 C ATOM 786 O SER A 56 1.426 6.771 5.302 1.00 0.00 O ATOM 787 CB SER A 56 -0.079 7.846 8.068 1.00 0.00 C ATOM 788 OG SER A 56 1.177 7.494 8.633 1.00 0.00 O ATOM 0 H SER A 56 -1.681 9.303 6.943 1.00 0.00 H new ATOM 0 HA SER A 56 1.016 8.912 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.539 8.647 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.759 6.995 8.106 1.00 0.00 H new ATOM 0 HG SER A 56 1.049 7.209 9.562 1.00 0.00 H new ATOM 794 N LEU A 57 -0.770 6.357 5.469 1.00 0.00 N ATOM 795 CA LEU A 57 -0.692 5.159 4.641 1.00 0.00 C ATOM 796 C LEU A 57 -0.173 5.481 3.252 1.00 0.00 C ATOM 797 O LEU A 57 0.520 4.675 2.630 1.00 0.00 O ATOM 798 CB LEU A 57 -2.069 4.513 4.527 1.00 0.00 C ATOM 799 CG LEU A 57 -2.398 3.785 5.828 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.992 4.767 6.836 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.410 2.678 5.534 1.00 0.00 C ATOM 0 H LEU A 57 -1.705 6.582 5.810 1.00 0.00 H new ATOM 0 HA LEU A 57 0.003 4.469 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.823 5.273 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.086 3.813 3.692 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.488 3.354 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.225 4.242 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.272 5.560 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.904 5.202 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.652 2.152 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.317 3.116 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.984 1.976 4.817 1.00 0.00 H new ATOM 813 N LEU A 58 -0.533 6.648 2.766 1.00 0.00 N ATOM 814 CA LEU A 58 -0.117 7.063 1.429 1.00 0.00 C ATOM 815 C LEU A 58 1.300 7.625 1.409 1.00 0.00 C ATOM 816 O LEU A 58 2.161 7.132 0.680 1.00 0.00 O ATOM 817 CB LEU A 58 -1.087 8.101 0.866 1.00 0.00 C ATOM 818 CG LEU A 58 -2.520 7.567 0.964 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.517 8.717 0.782 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.756 6.513 -0.123 1.00 0.00 C ATOM 0 H LEU A 58 -1.108 7.327 3.265 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.129 6.170 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.997 9.036 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.839 8.320 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.664 7.115 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.534 8.331 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.357 9.464 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.370 9.175 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.776 6.136 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.605 6.962 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.055 5.689 0.010 1.00 0.00 H new ATOM 832 N THR A 59 1.530 8.664 2.187 1.00 0.00 N ATOM 833 CA THR A 59 2.847 9.299 2.226 1.00 0.00 C ATOM 834 C THR A 59 3.803 8.555 3.149 1.00 0.00 C ATOM 835 O THR A 59 4.921 9.015 3.377 1.00 0.00 O ATOM 836 CB THR A 59 2.737 10.756 2.682 1.00 0.00 C ATOM 837 OG1 THR A 59 3.958 11.148 3.294 1.00 0.00 O ATOM 838 CG2 THR A 59 1.596 10.905 3.686 1.00 0.00 C ATOM 0 H THR A 59 0.833 9.089 2.799 1.00 0.00 H new ATOM 0 HA THR A 59 3.245 9.265 1.212 1.00 0.00 H new ATOM 0 HB THR A 59 2.536 11.389 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.699 10.641 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.525 11.945 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.658 10.604 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.789 10.272 4.552 1.00 0.00 H new ATOM 846 N ASP A 60 3.367 7.413 3.679 1.00 0.00 N ATOM 847 CA ASP A 60 4.217 6.632 4.571 1.00 0.00 C ATOM 848 C ASP A 60 5.676 6.878 4.227 1.00 0.00 C ATOM 849 O ASP A 60 6.542 6.939 5.099 1.00 0.00 O ATOM 850 CB ASP A 60 3.890 5.145 4.432 1.00 0.00 C ATOM 851 CG ASP A 60 5.111 4.305 4.796 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.626 4.486 5.887 1.00 0.00 O ATOM 853 OD2 ASP A 60 5.512 3.494 3.977 1.00 0.00 O ATOM 0 H ASP A 60 2.444 7.014 3.509 1.00 0.00 H new ATOM 0 HA ASP A 60 4.035 6.937 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.054 4.886 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.580 4.927 3.410 1.00 0.00 H new ATOM 858 N GLU A 61 5.917 7.046 2.941 1.00 0.00 N ATOM 859 CA GLU A 61 7.251 7.324 2.432 1.00 0.00 C ATOM 860 C GLU A 61 7.180 8.483 1.451 1.00 0.00 C ATOM 861 O GLU A 61 8.048 9.356 1.424 1.00 0.00 O ATOM 862 CB GLU A 61 7.823 6.085 1.738 1.00 0.00 C ATOM 863 CG GLU A 61 7.216 5.943 0.338 1.00 0.00 C ATOM 864 CD GLU A 61 5.697 5.858 0.434 1.00 0.00 C ATOM 865 OE1 GLU A 61 5.215 5.288 1.401 1.00 0.00 O ATOM 866 OE2 GLU A 61 5.037 6.362 -0.459 1.00 0.00 O ATOM 0 H GLU A 61 5.198 6.994 2.220 1.00 0.00 H new ATOM 0 HA GLU A 61 7.906 7.588 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.908 6.166 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.608 5.195 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.502 6.794 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.608 5.050 -0.149 1.00 0.00 H new ATOM 873 N ARG A 62 6.118 8.471 0.661 1.00 0.00 N ATOM 874 CA ARG A 62 5.873 9.505 -0.337 1.00 0.00 C ATOM 875 C ARG A 62 4.664 9.136 -1.170 1.00 0.00 C ATOM 876 O ARG A 62 3.618 9.781 -1.106 1.00 0.00 O ATOM 877 CB ARG A 62 7.080 9.663 -1.259 1.00 0.00 C ATOM 878 CG ARG A 62 7.212 11.132 -1.650 1.00 0.00 C ATOM 879 CD ARG A 62 7.817 11.905 -0.482 1.00 0.00 C ATOM 880 NE ARG A 62 7.231 13.238 -0.398 1.00 0.00 N ATOM 881 CZ ARG A 62 7.061 13.841 0.774 1.00 0.00 C ATOM 882 NH1 ARG A 62 7.433 13.244 1.874 1.00 0.00 N ATOM 883 NH2 ARG A 62 6.527 15.030 0.826 1.00 0.00 N ATOM 0 H ARG A 62 5.401 7.746 0.692 1.00 0.00 H new ATOM 0 HA ARG A 62 5.696 10.446 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.986 9.324 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.959 9.045 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.842 11.231 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.235 11.542 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.644 11.365 0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.897 11.983 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 62 6.947 13.716 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.854 12.316 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.303 13.706 2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.239 15.498 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.397 15.492 1.726 1.00 0.00 H new ATOM 897 N VAL A 63 4.832 8.087 -1.948 1.00 0.00 N ATOM 898 CA VAL A 63 3.766 7.591 -2.815 1.00 0.00 C ATOM 899 C VAL A 63 4.266 6.439 -3.684 1.00 0.00 C ATOM 900 O VAL A 63 3.479 5.613 -4.149 1.00 0.00 O ATOM 901 CB VAL A 63 3.238 8.737 -3.696 1.00 0.00 C ATOM 902 CG1 VAL A 63 3.059 8.256 -5.141 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.886 9.226 -3.163 1.00 0.00 C ATOM 0 H VAL A 63 5.700 7.554 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 63 2.954 7.216 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 63 3.961 9.553 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.685 9.076 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.018 7.918 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.346 7.431 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.519 10.037 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.171 8.404 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.006 9.585 -2.141 1.00 0.00 H new ATOM 913 N LYS A 64 5.570 6.392 -3.903 1.00 0.00 N ATOM 914 CA LYS A 64 6.160 5.337 -4.722 1.00 0.00 C ATOM 915 C LYS A 64 7.398 4.751 -4.053 1.00 0.00 C ATOM 916 O LYS A 64 7.559 4.835 -2.835 1.00 0.00 O ATOM 917 CB LYS A 64 6.533 5.888 -6.104 1.00 0.00 C ATOM 918 CG LYS A 64 7.746 6.819 -5.994 1.00 0.00 C ATOM 919 CD LYS A 64 7.371 8.067 -5.193 1.00 0.00 C ATOM 920 CE LYS A 64 8.103 9.280 -5.773 1.00 0.00 C ATOM 921 NZ LYS A 64 7.713 9.462 -7.200 1.00 0.00 N ATOM 0 H LYS A 64 6.239 7.065 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 64 5.420 4.545 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.757 5.065 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.687 6.429 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.572 6.299 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.089 7.104 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.293 8.226 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.638 7.934 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.856 10.174 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.181 9.139 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.646 10.477 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.429 9.025 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.791 9.011 -7.368 1.00 0.00 H new ATOM 935 N GLU A 65 8.268 4.155 -4.864 1.00 0.00 N ATOM 936 CA GLU A 65 9.494 3.554 -4.355 1.00 0.00 C ATOM 937 C GLU A 65 10.698 4.431 -4.696 1.00 0.00 C ATOM 938 O GLU A 65 11.446 4.128 -5.625 1.00 0.00 O ATOM 939 CB GLU A 65 9.687 2.171 -4.981 1.00 0.00 C ATOM 940 CG GLU A 65 8.801 1.152 -4.262 1.00 0.00 C ATOM 941 CD GLU A 65 8.736 -0.139 -5.072 1.00 0.00 C ATOM 942 OE1 GLU A 65 9.250 -0.148 -6.178 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.173 -1.100 -4.573 1.00 0.00 O ATOM 0 H GLU A 65 8.146 4.076 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 65 9.414 3.463 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.435 2.203 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.733 1.872 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.198 0.949 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.799 1.559 -4.128 1.00 0.00 H new ATOM 950 N PRO A 66 10.897 5.508 -3.977 1.00 0.00 N ATOM 951 CA PRO A 66 12.037 6.435 -4.235 1.00 0.00 C ATOM 952 C PRO A 66 13.384 5.774 -3.984 1.00 0.00 C ATOM 953 O PRO A 66 14.301 5.863 -4.800 1.00 0.00 O ATOM 954 CB PRO A 66 11.810 7.599 -3.266 1.00 0.00 C ATOM 955 CG PRO A 66 10.889 7.081 -2.212 1.00 0.00 C ATOM 956 CD PRO A 66 10.068 5.961 -2.847 1.00 0.00 C ATOM 0 HA PRO A 66 12.066 6.753 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.752 7.934 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.373 8.455 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.453 6.709 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.239 7.875 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.881 5.153 -2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.096 6.321 -3.184 1.00 0.00 H new ATOM 964 N SER A 67 13.485 5.111 -2.850 1.00 0.00 N ATOM 965 CA SER A 67 14.717 4.425 -2.476 1.00 0.00 C ATOM 966 C SER A 67 14.829 3.093 -3.214 1.00 0.00 C ATOM 967 O SER A 67 14.100 2.146 -2.918 1.00 0.00 O ATOM 968 CB SER A 67 14.743 4.181 -0.968 1.00 0.00 C ATOM 969 OG SER A 67 14.976 5.412 -0.296 1.00 0.00 O ATOM 0 H SER A 67 12.732 5.029 -2.167 1.00 0.00 H new ATOM 0 HA SER A 67 15.562 5.055 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.797 3.749 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.524 3.463 -0.718 1.00 0.00 H new ATOM 0 HG SER A 67 14.991 5.259 0.672 1.00 0.00 H new ATOM 975 N GLN A 68 15.744 3.030 -4.175 1.00 0.00 N ATOM 976 CA GLN A 68 15.940 1.809 -4.949 1.00 0.00 C ATOM 977 C GLN A 68 17.408 1.396 -4.945 1.00 0.00 C ATOM 978 O GLN A 68 18.301 2.243 -4.954 1.00 0.00 O ATOM 979 CB GLN A 68 15.473 2.026 -6.391 1.00 0.00 C ATOM 980 CG GLN A 68 14.117 2.735 -6.384 1.00 0.00 C ATOM 981 CD GLN A 68 13.736 3.142 -7.804 1.00 0.00 C ATOM 982 OE1 GLN A 68 14.586 3.592 -8.572 1.00 0.00 O ATOM 983 NE2 GLN A 68 12.499 3.011 -8.199 1.00 0.00 N ATOM 0 H GLN A 68 16.357 3.803 -4.435 1.00 0.00 H new ATOM 0 HA GLN A 68 15.352 1.014 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.205 2.622 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.393 1.069 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.355 2.076 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.161 3.616 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.797 2.638 -7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.235 3.282 -9.146 1.00 0.00 H new ATOM 992 N ASP A 69 17.649 0.089 -4.930 1.00 0.00 N ATOM 993 CA ASP A 69 19.014 -0.426 -4.925 1.00 0.00 C ATOM 994 C ASP A 69 19.504 -0.650 -6.346 1.00 0.00 C ATOM 995 O ASP A 69 20.705 -0.735 -6.602 1.00 0.00 O ATOM 996 CB ASP A 69 19.072 -1.742 -4.151 1.00 0.00 C ATOM 997 CG ASP A 69 19.348 -1.470 -2.676 1.00 0.00 C ATOM 998 OD1 ASP A 69 20.486 -1.171 -2.352 1.00 0.00 O ATOM 999 OD2 ASP A 69 18.417 -1.562 -1.893 1.00 0.00 O ATOM 0 H ASP A 69 16.924 -0.628 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 69 19.658 0.308 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.130 -2.279 -4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.853 -2.381 -4.563 1.00 0.00 H new ATOM 1004 N THR A 70 18.558 -0.742 -7.260 1.00 0.00 N ATOM 1005 CA THR A 70 18.877 -0.955 -8.668 1.00 0.00 C ATOM 1006 C THR A 70 18.555 0.292 -9.484 1.00 0.00 C ATOM 1007 O THR A 70 17.478 0.874 -9.349 1.00 0.00 O ATOM 1008 CB THR A 70 18.078 -2.143 -9.209 1.00 0.00 C ATOM 1009 OG1 THR A 70 16.740 -1.736 -9.463 1.00 0.00 O ATOM 1010 CG2 THR A 70 18.081 -3.274 -8.180 1.00 0.00 C ATOM 0 H THR A 70 17.561 -0.673 -7.058 1.00 0.00 H new ATOM 0 HA THR A 70 19.943 -1.165 -8.753 1.00 0.00 H new ATOM 0 HB THR A 70 18.534 -2.495 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.228 -2.495 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.512 -4.119 -8.567 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.107 -3.586 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.626 -2.924 -7.253 1.00 0.00 H new ATOM 1018 N VAL A 71 19.494 0.696 -10.332 1.00 0.00 N ATOM 1019 CA VAL A 71 19.299 1.875 -11.168 1.00 0.00 C ATOM 1020 C VAL A 71 20.277 1.866 -12.335 1.00 0.00 C ATOM 1021 O VAL A 71 21.179 1.032 -12.400 1.00 0.00 O ATOM 1022 CB VAL A 71 19.480 3.144 -10.330 1.00 0.00 C ATOM 1023 CG1 VAL A 71 20.687 2.986 -9.408 1.00 0.00 C ATOM 1024 CG2 VAL A 71 19.696 4.360 -11.231 1.00 0.00 C ATOM 0 H VAL A 71 20.392 0.229 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 71 18.286 1.859 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 71 18.577 3.296 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.812 3.891 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 71 20.529 2.135 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.582 2.818 -10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 71 19.822 5.251 -10.616 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.588 4.209 -11.838 1.00 0.00 H new ATOM 0 HG23 VAL A 71 18.831 4.488 -11.882 1.00 0.00 H new ATOM 1034 N ALA A 72 20.080 2.793 -13.258 1.00 0.00 N ATOM 1035 CA ALA A 72 20.939 2.887 -14.433 1.00 0.00 C ATOM 1036 C ALA A 72 22.260 3.552 -14.091 1.00 0.00 C ATOM 1037 O ALA A 72 23.327 3.092 -14.495 1.00 0.00 O ATOM 1038 CB ALA A 72 20.234 3.681 -15.533 1.00 0.00 C ATOM 0 H ALA A 72 19.336 3.490 -13.219 1.00 0.00 H new ATOM 0 HA ALA A 72 21.143 1.876 -14.786 1.00 0.00 H new ATOM 0 HB1 ALA A 72 20.882 3.747 -16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 72 19.306 3.179 -15.806 1.00 0.00 H new ATOM 0 HB3 ALA A 72 20.010 4.685 -15.171 1.00 0.00 H new ATOM 1044 N THR A 73 22.173 4.640 -13.356 1.00 0.00 N ATOM 1045 CA THR A 73 23.361 5.381 -12.966 1.00 0.00 C ATOM 1046 C THR A 73 23.630 5.255 -11.470 1.00 0.00 C ATOM 1047 O THR A 73 23.157 4.326 -10.816 1.00 0.00 O ATOM 1048 CB THR A 73 23.190 6.852 -13.334 1.00 0.00 C ATOM 1049 OG1 THR A 73 23.135 7.635 -12.149 1.00 0.00 O ATOM 1050 CG2 THR A 73 21.899 7.036 -14.132 1.00 0.00 C ATOM 0 H THR A 73 21.296 5.033 -13.015 1.00 0.00 H new ATOM 0 HA THR A 73 24.213 4.960 -13.500 1.00 0.00 H new ATOM 0 HB THR A 73 24.036 7.173 -13.941 1.00 0.00 H new ATOM 0 HG1 THR A 73 23.027 8.580 -12.386 1.00 0.00 H new ATOM 0 HG21 THR A 73 21.780 8.087 -14.393 1.00 0.00 H new ATOM 0 HG22 THR A 73 21.946 6.439 -15.043 1.00 0.00 H new ATOM 0 HG23 THR A 73 21.050 6.713 -13.530 1.00 0.00 H new ATOM 1058 N GLU A 74 24.404 6.198 -10.941 1.00 0.00 N ATOM 1059 CA GLU A 74 24.748 6.194 -9.525 1.00 0.00 C ATOM 1060 C GLU A 74 23.614 5.596 -8.687 1.00 0.00 C ATOM 1061 O GLU A 74 22.459 5.991 -8.839 1.00 0.00 O ATOM 1062 CB GLU A 74 25.026 7.624 -9.056 1.00 0.00 C ATOM 1063 CG GLU A 74 26.457 8.016 -9.429 1.00 0.00 C ATOM 1064 CD GLU A 74 27.365 7.896 -8.210 1.00 0.00 C ATOM 1065 OE1 GLU A 74 26.955 7.263 -7.251 1.00 0.00 O ATOM 1066 OE2 GLU A 74 28.457 8.437 -8.254 1.00 0.00 O ATOM 0 H GLU A 74 24.804 6.972 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 74 25.639 5.581 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 74 24.318 8.313 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 74 24.887 7.697 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 74 26.822 7.373 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 74 26.476 9.038 -9.808 1.00 0.00 H new ATOM 1073 N PRO A 75 23.914 4.665 -7.808 1.00 0.00 N ATOM 1074 CA PRO A 75 22.886 4.028 -6.932 1.00 0.00 C ATOM 1075 C PRO A 75 21.982 5.057 -6.254 1.00 0.00 C ATOM 1076 O PRO A 75 21.761 6.150 -6.775 1.00 0.00 O ATOM 1077 CB PRO A 75 23.706 3.268 -5.888 1.00 0.00 C ATOM 1078 CG PRO A 75 25.034 3.015 -6.518 1.00 0.00 C ATOM 1079 CD PRO A 75 25.259 4.113 -7.557 1.00 0.00 C ATOM 0 HA PRO A 75 22.214 3.388 -7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 75 23.812 3.852 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 75 23.219 2.332 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 75 25.824 3.028 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 75 25.056 2.031 -6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 75 25.939 4.879 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 75 25.700 3.712 -8.469 1.00 0.00 H new ATOM 1087 N SER A 76 21.465 4.698 -5.084 1.00 0.00 N ATOM 1088 CA SER A 76 20.588 5.593 -4.336 1.00 0.00 C ATOM 1089 C SER A 76 21.165 7.006 -4.299 1.00 0.00 C ATOM 1090 O SER A 76 22.235 7.265 -4.851 1.00 0.00 O ATOM 1091 CB SER A 76 20.413 5.075 -2.909 1.00 0.00 C ATOM 1092 OG SER A 76 19.324 5.750 -2.295 1.00 0.00 O ATOM 0 H SER A 76 21.636 3.799 -4.634 1.00 0.00 H new ATOM 0 HA SER A 76 19.619 5.623 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.230 4.000 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.326 5.237 -2.336 1.00 0.00 H new ATOM 0 HG SER A 76 19.208 5.419 -1.380 1.00 0.00 H new ATOM 1098 N GLU A 77 20.448 7.915 -3.646 1.00 0.00 N ATOM 1099 CA GLU A 77 20.896 9.300 -3.542 1.00 0.00 C ATOM 1100 C GLU A 77 22.141 9.400 -2.671 1.00 0.00 C ATOM 1101 O GLU A 77 22.753 10.463 -2.562 1.00 0.00 O ATOM 1102 CB GLU A 77 19.786 10.164 -2.942 1.00 0.00 C ATOM 1103 CG GLU A 77 18.455 9.830 -3.618 1.00 0.00 C ATOM 1104 CD GLU A 77 17.659 8.861 -2.751 1.00 0.00 C ATOM 1105 OE1 GLU A 77 17.662 9.037 -1.545 1.00 0.00 O ATOM 1106 OE2 GLU A 77 17.058 7.956 -3.308 1.00 0.00 O ATOM 0 H GLU A 77 19.560 7.720 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 77 21.137 9.657 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.715 9.989 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.020 11.220 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.881 10.742 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.636 9.389 -4.598 1.00 0.00 H new ATOM 1113 N VAL A 78 22.509 8.287 -2.049 1.00 0.00 N ATOM 1114 CA VAL A 78 23.682 8.258 -1.185 1.00 0.00 C ATOM 1115 C VAL A 78 24.274 6.853 -1.132 1.00 0.00 C ATOM 1116 O VAL A 78 23.712 5.911 -1.690 1.00 0.00 O ATOM 1117 CB VAL A 78 23.301 8.705 0.227 1.00 0.00 C ATOM 1118 CG1 VAL A 78 24.568 8.886 1.064 1.00 0.00 C ATOM 1119 CG2 VAL A 78 22.546 10.034 0.154 1.00 0.00 C ATOM 0 H VAL A 78 22.016 7.398 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 78 24.428 8.940 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 78 22.665 7.949 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 78 24.297 9.205 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.108 7.941 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.204 9.642 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 78 22.274 10.354 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.183 10.789 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.643 9.907 -0.443 1.00 0.00 H new ATOM 1129 N GLU A 79 25.411 6.722 -0.458 1.00 0.00 N ATOM 1130 CA GLU A 79 26.072 5.429 -0.338 1.00 0.00 C ATOM 1131 C GLU A 79 25.442 4.605 0.782 1.00 0.00 C ATOM 1132 O GLU A 79 24.298 4.842 1.171 1.00 0.00 O ATOM 1133 CB GLU A 79 27.561 5.630 -0.052 1.00 0.00 C ATOM 1134 CG GLU A 79 28.219 6.329 -1.244 1.00 0.00 C ATOM 1135 CD GLU A 79 29.007 5.319 -2.072 1.00 0.00 C ATOM 1136 OE1 GLU A 79 29.544 4.392 -1.487 1.00 0.00 O ATOM 1137 OE2 GLU A 79 29.063 5.487 -3.279 1.00 0.00 O ATOM 0 H GLU A 79 25.891 7.490 0.011 1.00 0.00 H new ATOM 0 HA GLU A 79 25.952 4.892 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 79 27.692 6.227 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 79 28.041 4.668 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 79 27.458 6.804 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 79 28.882 7.119 -0.892 1.00 0.00 H new ATOM 1144 N GLY A 80 26.196 3.638 1.295 1.00 0.00 N ATOM 1145 CA GLY A 80 25.700 2.787 2.370 1.00 0.00 C ATOM 1146 C GLY A 80 25.412 3.606 3.623 1.00 0.00 C ATOM 1147 O GLY A 80 26.305 4.250 4.174 1.00 0.00 O ATOM 0 H GLY A 80 27.145 3.425 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 80 24.792 2.278 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 80 26.435 2.015 2.596 1.00 0.00 H new ATOM 1151 N SER A 81 24.160 3.579 4.068 1.00 0.00 N ATOM 1152 CA SER A 81 23.765 4.324 5.258 1.00 0.00 C ATOM 1153 C SER A 81 24.327 3.665 6.512 1.00 0.00 C ATOM 1154 O SER A 81 24.845 2.549 6.461 1.00 0.00 O ATOM 1155 CB SER A 81 22.242 4.388 5.352 1.00 0.00 C ATOM 1156 OG SER A 81 21.678 4.061 4.087 1.00 0.00 O ATOM 0 H SER A 81 23.406 3.053 3.626 1.00 0.00 H new ATOM 0 HA SER A 81 24.166 5.335 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.884 3.695 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.927 5.386 5.657 1.00 0.00 H new ATOM 0 HG SER A 81 20.700 4.100 4.145 1.00 0.00 H new ATOM 1162 N ALA A 82 24.224 4.362 7.639 1.00 0.00 N ATOM 1163 CA ALA A 82 24.725 3.837 8.898 1.00 0.00 C ATOM 1164 C ALA A 82 24.286 2.389 9.091 1.00 0.00 C ATOM 1165 O ALA A 82 23.124 2.049 8.871 1.00 0.00 O ATOM 1166 CB ALA A 82 24.206 4.690 10.056 1.00 0.00 C ATOM 0 H ALA A 82 23.800 5.287 7.703 1.00 0.00 H new ATOM 0 HA ALA A 82 25.814 3.871 8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.584 4.293 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 82 24.547 5.718 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.116 4.668 10.064 1.00 0.00 H new ATOM 1172 N ALA A 83 25.222 1.542 9.504 1.00 0.00 N ATOM 1173 CA ALA A 83 24.920 0.132 9.724 1.00 0.00 C ATOM 1174 C ALA A 83 25.782 -0.432 10.850 1.00 0.00 C ATOM 1175 O ALA A 83 26.833 0.119 11.174 1.00 0.00 O ATOM 1176 CB ALA A 83 25.166 -0.663 8.441 1.00 0.00 C ATOM 0 H ALA A 83 26.190 1.804 9.692 1.00 0.00 H new ATOM 0 HA ALA A 83 23.871 0.045 10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 83 24.938 -1.715 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 83 24.526 -0.279 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 83 26.210 -0.563 8.145 1.00 0.00 H new ATOM 1182 N ASN A 84 25.327 -1.531 11.441 1.00 0.00 N ATOM 1183 CA ASN A 84 26.062 -2.160 12.531 1.00 0.00 C ATOM 1184 C ASN A 84 26.024 -3.681 12.402 1.00 0.00 C ATOM 1185 O ASN A 84 26.256 -4.401 13.373 1.00 0.00 O ATOM 1186 CB ASN A 84 25.459 -1.745 13.875 1.00 0.00 C ATOM 1187 CG ASN A 84 26.127 -0.466 14.369 1.00 0.00 C ATOM 1188 OD1 ASN A 84 26.549 -0.391 15.523 1.00 0.00 O ATOM 1189 ND2 ASN A 84 26.248 0.552 13.560 1.00 0.00 N ATOM 0 H ASN A 84 24.459 -2.002 11.186 1.00 0.00 H new ATOM 0 HA ASN A 84 27.100 -1.830 12.480 1.00 0.00 H new ATOM 0 HB2 ASN A 84 24.386 -1.588 13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 84 25.594 -2.542 14.606 1.00 0.00 H new ATOM 0 HD21 ASN A 84 26.693 1.411 13.884 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.898 0.488 12.604 1.00 0.00 H new ATOM 1196 N LYS A 85 25.732 -4.161 11.198 1.00 0.00 N ATOM 1197 CA LYS A 85 25.669 -5.599 10.959 1.00 0.00 C ATOM 1198 C LYS A 85 26.874 -6.294 11.588 1.00 0.00 C ATOM 1199 O LYS A 85 27.755 -5.641 12.148 1.00 0.00 O ATOM 1200 CB LYS A 85 25.642 -5.878 9.452 1.00 0.00 C ATOM 1201 CG LYS A 85 25.136 -7.300 9.186 1.00 0.00 C ATOM 1202 CD LYS A 85 24.260 -7.303 7.932 1.00 0.00 C ATOM 1203 CE LYS A 85 23.668 -8.698 7.727 1.00 0.00 C ATOM 1204 NZ LYS A 85 24.574 -9.498 6.854 1.00 0.00 N ATOM 0 H LYS A 85 25.537 -3.583 10.380 1.00 0.00 H new ATOM 0 HA LYS A 85 24.758 -5.988 11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 85 24.997 -5.155 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 85 26.641 -5.756 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 85 25.979 -7.979 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 85 24.566 -7.661 10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.461 -6.568 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 85 24.851 -7.015 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.539 -9.195 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.680 -8.623 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.172 -10.447 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.675 -9.025 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.507 -9.580 7.305 1.00 0.00 H new ATOM 1218 N GLU A 86 26.904 -7.618 11.492 1.00 0.00 N ATOM 1219 CA GLU A 86 28.005 -8.391 12.057 1.00 0.00 C ATOM 1220 C GLU A 86 29.326 -8.010 11.394 1.00 0.00 C ATOM 1221 O GLU A 86 30.372 -8.583 11.700 1.00 0.00 O ATOM 1222 CB GLU A 86 27.748 -9.886 11.863 1.00 0.00 C ATOM 1223 CG GLU A 86 29.002 -10.673 12.248 1.00 0.00 C ATOM 1224 CD GLU A 86 28.619 -12.079 12.699 1.00 0.00 C ATOM 1225 OE1 GLU A 86 28.283 -12.884 11.846 1.00 0.00 O ATOM 1226 OE2 GLU A 86 28.666 -12.329 13.892 1.00 0.00 O ATOM 0 H GLU A 86 26.185 -8.176 11.032 1.00 0.00 H new ATOM 0 HA GLU A 86 28.069 -8.168 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 86 26.904 -10.203 12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 27.483 -10.089 10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 86 29.682 -10.728 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 86 29.533 -10.158 13.048 1.00 0.00 H new ATOM 1233 N VAL A 87 29.271 -7.041 10.486 1.00 0.00 N ATOM 1234 CA VAL A 87 30.471 -6.596 9.790 1.00 0.00 C ATOM 1235 C VAL A 87 30.667 -5.096 9.959 1.00 0.00 C ATOM 1236 O VAL A 87 29.707 -4.341 10.106 1.00 0.00 O ATOM 1237 CB VAL A 87 30.373 -6.937 8.302 1.00 0.00 C ATOM 1238 CG1 VAL A 87 31.771 -6.917 7.681 1.00 0.00 C ATOM 1239 CG2 VAL A 87 29.765 -8.332 8.137 1.00 0.00 C ATOM 0 H VAL A 87 28.416 -6.553 10.217 1.00 0.00 H new ATOM 0 HA VAL A 87 31.328 -7.112 10.223 1.00 0.00 H new ATOM 0 HB VAL A 87 29.741 -6.202 7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 87 31.702 -7.160 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 87 32.207 -5.925 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 87 32.402 -7.652 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 87 29.695 -8.575 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 87 30.397 -9.066 8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 87 28.769 -8.350 8.580 1.00 0.00 H new ATOM 1249 N LEU A 88 31.925 -4.681 9.935 1.00 0.00 N ATOM 1250 CA LEU A 88 32.264 -3.273 10.085 1.00 0.00 C ATOM 1251 C LEU A 88 32.100 -2.550 8.762 1.00 0.00 C ATOM 1252 O LEU A 88 31.907 -1.335 8.715 1.00 0.00 O ATOM 1253 CB LEU A 88 33.710 -3.146 10.550 1.00 0.00 C ATOM 1254 CG LEU A 88 33.872 -3.817 11.913 1.00 0.00 C ATOM 1255 CD1 LEU A 88 34.207 -5.299 11.726 1.00 0.00 C ATOM 1256 CD2 LEU A 88 35.005 -3.131 12.677 1.00 0.00 C ATOM 0 H LEU A 88 32.728 -5.299 9.813 1.00 0.00 H new ATOM 0 HA LEU A 88 31.596 -2.826 10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 88 34.378 -3.609 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 88 33.990 -2.095 10.616 1.00 0.00 H new ATOM 0 HG LEU A 88 32.941 -3.730 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 88 34.321 -5.772 12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 88 33.402 -5.788 11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 88 35.137 -5.394 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 88 35.126 -3.605 13.651 1.00 0.00 H new ATOM 0 HD22 LEU A 88 35.932 -3.222 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 88 34.765 -2.077 12.814 1.00 0.00 H new ATOM 1268 N ALA A 89 32.182 -3.316 7.692 1.00 0.00 N ATOM 1269 CA ALA A 89 32.047 -2.769 6.353 1.00 0.00 C ATOM 1270 C ALA A 89 33.073 -1.667 6.122 1.00 0.00 C ATOM 1271 O ALA A 89 32.892 -0.805 5.262 1.00 0.00 O ATOM 1272 CB ALA A 89 30.639 -2.213 6.170 1.00 0.00 C ATOM 0 H ALA A 89 32.342 -4.323 7.722 1.00 0.00 H new ATOM 0 HA ALA A 89 32.222 -3.563 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 89 30.538 -1.803 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 89 29.911 -3.012 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 89 30.460 -1.426 6.903 1.00 0.00 H new ATOM 1278 N LYS A 90 34.153 -1.701 6.898 1.00 0.00 N ATOM 1279 CA LYS A 90 35.199 -0.696 6.771 1.00 0.00 C ATOM 1280 C LYS A 90 36.570 -1.287 7.080 1.00 0.00 C ATOM 1281 O LYS A 90 36.702 -2.174 7.923 1.00 0.00 O ATOM 1282 CB LYS A 90 34.925 0.464 7.729 1.00 0.00 C ATOM 1283 CG LYS A 90 34.982 1.788 6.961 1.00 0.00 C ATOM 1284 CD LYS A 90 33.748 1.947 6.056 1.00 0.00 C ATOM 1285 CE LYS A 90 32.461 1.665 6.839 1.00 0.00 C ATOM 1286 NZ LYS A 90 32.608 2.148 8.242 1.00 0.00 N ATOM 0 H LYS A 90 34.324 -2.407 7.614 1.00 0.00 H new ATOM 0 HA LYS A 90 35.197 -0.337 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 90 33.946 0.343 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 90 35.661 0.466 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 90 35.033 2.620 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 90 35.889 1.825 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 90 33.718 2.958 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 90 33.821 1.264 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 90 31.617 2.161 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 90 32.247 0.596 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 31.674 2.401 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 33.027 1.396 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 33.227 2.984 8.258 1.00 0.00 H new ATOM 1300 N VAL A 91 37.588 -0.770 6.400 1.00 0.00 N ATOM 1301 CA VAL A 91 38.952 -1.233 6.612 1.00 0.00 C ATOM 1302 C VAL A 91 39.943 -0.286 5.939 1.00 0.00 C ATOM 1303 O VAL A 91 40.470 -0.585 4.867 1.00 0.00 O ATOM 1304 CB VAL A 91 39.134 -2.646 6.045 1.00 0.00 C ATOM 1305 CG1 VAL A 91 38.528 -3.680 6.999 1.00 0.00 C ATOM 1306 CG2 VAL A 91 38.434 -2.741 4.687 1.00 0.00 C ATOM 0 H VAL A 91 37.494 -0.033 5.701 1.00 0.00 H new ATOM 0 HA VAL A 91 39.142 -1.252 7.685 1.00 0.00 H new ATOM 0 HB VAL A 91 40.199 -2.848 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 91 38.663 -4.680 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 91 39.025 -3.617 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 91 37.464 -3.480 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 91 38.562 -3.745 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 37.371 -2.532 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 91 38.870 -2.014 4.001 1.00 0.00 H new ATOM 1316 N ILE A 92 40.185 0.859 6.570 1.00 0.00 N ATOM 1317 CA ILE A 92 41.111 1.842 6.017 1.00 0.00 C ATOM 1318 C ILE A 92 42.198 1.154 5.199 1.00 0.00 C ATOM 1319 O ILE A 92 42.841 0.214 5.665 1.00 0.00 O ATOM 1320 CB ILE A 92 41.754 2.655 7.140 1.00 0.00 C ATOM 1321 CG1 ILE A 92 41.934 1.770 8.374 1.00 0.00 C ATOM 1322 CG2 ILE A 92 40.855 3.842 7.492 1.00 0.00 C ATOM 1323 CD1 ILE A 92 42.512 2.605 9.519 1.00 0.00 C ATOM 0 H ILE A 92 39.757 1.128 7.456 1.00 0.00 H new ATOM 0 HA ILE A 92 40.548 2.511 5.366 1.00 0.00 H new ATOM 0 HB ILE A 92 42.726 3.021 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 92 40.977 1.341 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 92 42.599 0.938 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 92 41.314 4.421 8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 92 40.727 4.475 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 92 39.882 3.477 7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 92 42.641 1.975 10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 92 43.478 3.013 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 92 41.830 3.422 9.754 1.00 0.00 H new ATOM 1335 N ASP A 93 42.395 1.635 3.977 1.00 0.00 N ATOM 1336 CA ASP A 93 43.405 1.070 3.089 1.00 0.00 C ATOM 1337 C ASP A 93 43.377 1.782 1.742 1.00 0.00 C ATOM 1338 O ASP A 93 43.476 1.148 0.691 1.00 0.00 O ATOM 1339 CB ASP A 93 43.147 -0.424 2.881 1.00 0.00 C ATOM 1340 CG ASP A 93 44.182 -1.003 1.924 1.00 0.00 C ATOM 1341 OD1 ASP A 93 45.332 -0.604 2.012 1.00 0.00 O ATOM 1342 OD2 ASP A 93 43.811 -1.839 1.117 1.00 0.00 O ATOM 0 H ASP A 93 41.870 2.413 3.579 1.00 0.00 H new ATOM 0 HA ASP A 93 44.385 1.206 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 93 43.191 -0.946 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 93 42.144 -0.576 2.481 1.00 0.00 H new ATOM 1347 N LEU A 94 43.239 3.103 1.781 1.00 0.00 N ATOM 1348 CA LEU A 94 43.194 3.894 0.564 1.00 0.00 C ATOM 1349 C LEU A 94 41.889 3.641 -0.170 1.00 0.00 C ATOM 1350 O LEU A 94 41.472 4.417 -1.029 1.00 0.00 O ATOM 1351 CB LEU A 94 44.372 3.517 -0.321 1.00 0.00 C ATOM 1352 CG LEU A 94 45.155 4.777 -0.679 1.00 0.00 C ATOM 1353 CD1 LEU A 94 44.212 5.774 -1.354 1.00 0.00 C ATOM 1354 CD2 LEU A 94 45.725 5.393 0.602 1.00 0.00 C ATOM 0 H LEU A 94 43.157 3.644 2.642 1.00 0.00 H new ATOM 0 HA LEU A 94 43.253 4.953 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 94 45.018 2.808 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 94 44.019 3.024 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 94 45.972 4.531 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 94 44.763 6.678 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 94 43.799 5.329 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 94 43.401 6.027 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 94 46.286 6.294 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 94 44.909 5.648 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 94 46.387 4.676 1.087 1.00 0.00 H new ATOM 1366 N THR A 95 41.257 2.543 0.194 1.00 0.00 N ATOM 1367 CA THR A 95 39.988 2.152 -0.404 1.00 0.00 C ATOM 1368 C THR A 95 39.947 2.514 -1.885 1.00 0.00 C ATOM 1369 O THR A 95 39.558 3.622 -2.253 1.00 0.00 O ATOM 1370 CB THR A 95 38.835 2.844 0.324 1.00 0.00 C ATOM 1371 OG1 THR A 95 37.781 3.099 -0.595 1.00 0.00 O ATOM 1372 CG2 THR A 95 39.323 4.163 0.922 1.00 0.00 C ATOM 0 H THR A 95 41.602 1.899 0.906 1.00 0.00 H new ATOM 0 HA THR A 95 39.886 1.071 -0.309 1.00 0.00 H new ATOM 0 HB THR A 95 38.472 2.199 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 95 38.067 3.778 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 95 38.499 4.654 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 95 40.130 3.966 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 95 39.688 4.811 0.125 1.00 0.00 H new ATOM 1380 N HIS A 96 40.346 1.570 -2.730 1.00 0.00 N ATOM 1381 CA HIS A 96 40.343 1.799 -4.169 1.00 0.00 C ATOM 1382 C HIS A 96 38.913 1.908 -4.685 1.00 0.00 C ATOM 1383 O HIS A 96 38.180 2.829 -4.324 1.00 0.00 O ATOM 1384 CB HIS A 96 41.058 0.648 -4.880 1.00 0.00 C ATOM 1385 CG HIS A 96 40.568 -0.660 -4.322 1.00 0.00 C ATOM 1386 ND1 HIS A 96 41.281 -1.840 -4.466 1.00 0.00 N ATOM 1387 CD2 HIS A 96 39.438 -0.987 -3.615 1.00 0.00 C ATOM 1388 CE1 HIS A 96 40.579 -2.814 -3.858 1.00 0.00 C ATOM 1389 NE2 HIS A 96 39.447 -2.348 -3.323 1.00 0.00 N ATOM 0 H HIS A 96 40.673 0.646 -2.446 1.00 0.00 H new ATOM 0 HA HIS A 96 40.866 2.733 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 96 40.868 0.693 -5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 96 42.136 0.734 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 96 38.661 -0.294 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 96 40.892 -3.846 -3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 96 38.741 -2.876 -2.810 1.00 0.00 H new ATOM 1397 N ASP A 97 38.519 0.959 -5.528 1.00 0.00 N ATOM 1398 CA ASP A 97 37.171 0.955 -6.082 1.00 0.00 C ATOM 1399 C ASP A 97 36.251 0.077 -5.240 1.00 0.00 C ATOM 1400 O ASP A 97 36.694 -0.895 -4.628 1.00 0.00 O ATOM 1401 CB ASP A 97 37.198 0.440 -7.524 1.00 0.00 C ATOM 1402 CG ASP A 97 36.901 1.581 -8.491 1.00 0.00 C ATOM 1403 OD1 ASP A 97 37.538 2.614 -8.370 1.00 0.00 O ATOM 1404 OD2 ASP A 97 36.040 1.405 -9.337 1.00 0.00 O ATOM 0 H ASP A 97 39.110 0.188 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 97 36.790 1.976 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 97 38.174 0.009 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 97 36.462 -0.354 -7.649 1.00 0.00 H new ATOM 1409 N ASN A 98 34.969 0.425 -5.213 1.00 0.00 N ATOM 1410 CA ASN A 98 33.996 -0.339 -4.441 1.00 0.00 C ATOM 1411 C ASN A 98 32.732 -0.576 -5.256 1.00 0.00 C ATOM 1412 O ASN A 98 32.316 0.279 -6.038 1.00 0.00 O ATOM 1413 CB ASN A 98 33.644 0.413 -3.156 1.00 0.00 C ATOM 1414 CG ASN A 98 34.915 0.898 -2.470 1.00 0.00 C ATOM 1415 OD1 ASN A 98 35.750 1.551 -3.096 1.00 0.00 O ATOM 1416 ND2 ASN A 98 35.115 0.617 -1.211 1.00 0.00 N ATOM 0 H ASN A 98 34.581 1.225 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 98 34.437 -1.303 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 98 32.999 1.261 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 98 33.085 -0.239 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 98 35.964 0.939 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 98 34.423 0.076 -0.693 1.00 0.00 H new ATOM 1423 N LYS A 99 32.123 -1.742 -5.069 1.00 0.00 N ATOM 1424 CA LYS A 99 30.908 -2.080 -5.793 1.00 0.00 C ATOM 1425 C LYS A 99 30.124 -3.156 -5.048 1.00 0.00 C ATOM 1426 O LYS A 99 28.963 -3.423 -5.357 1.00 0.00 O ATOM 1427 CB LYS A 99 31.267 -2.550 -7.211 1.00 0.00 C ATOM 1428 CG LYS A 99 30.814 -3.996 -7.434 1.00 0.00 C ATOM 1429 CD LYS A 99 31.313 -4.487 -8.794 1.00 0.00 C ATOM 1430 CE LYS A 99 32.670 -5.171 -8.621 1.00 0.00 C ATOM 1431 NZ LYS A 99 33.351 -5.266 -9.944 1.00 0.00 N ATOM 0 H LYS A 99 32.450 -2.463 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 99 30.277 -1.194 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 99 30.794 -1.898 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 99 32.344 -2.474 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 99 31.202 -4.635 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 99 29.727 -4.058 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 99 30.595 -5.183 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 99 31.401 -3.649 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 99 33.287 -4.607 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 99 32.536 -6.166 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 34.274 -5.731 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 32.764 -5.822 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 33.491 -4.311 -10.332 1.00 0.00 H new ATOM 1445 N ASP A 100 30.764 -3.771 -4.066 1.00 0.00 N ATOM 1446 CA ASP A 100 30.107 -4.812 -3.288 1.00 0.00 C ATOM 1447 C ASP A 100 28.700 -4.364 -2.908 1.00 0.00 C ATOM 1448 O ASP A 100 27.856 -5.177 -2.527 1.00 0.00 O ATOM 1449 CB ASP A 100 30.914 -5.112 -2.022 1.00 0.00 C ATOM 1450 CG ASP A 100 31.444 -3.817 -1.418 1.00 0.00 C ATOM 1451 OD1 ASP A 100 31.062 -2.762 -1.896 1.00 0.00 O ATOM 1452 OD2 ASP A 100 32.228 -3.898 -0.485 1.00 0.00 O ATOM 0 H ASP A 100 31.726 -3.572 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 100 30.045 -5.717 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 100 30.287 -5.631 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 100 31.744 -5.778 -2.260 1.00 0.00 H new ATOM 1457 N ASP A 101 28.459 -3.061 -3.016 1.00 0.00 N ATOM 1458 CA ASP A 101 27.157 -2.495 -2.683 1.00 0.00 C ATOM 1459 C ASP A 101 26.074 -3.033 -3.613 1.00 0.00 C ATOM 1460 O ASP A 101 25.107 -3.647 -3.162 1.00 0.00 O ATOM 1461 CB ASP A 101 27.215 -0.972 -2.800 1.00 0.00 C ATOM 1462 CG ASP A 101 26.307 -0.333 -1.754 1.00 0.00 C ATOM 1463 OD1 ASP A 101 25.106 -0.531 -1.841 1.00 0.00 O ATOM 1464 OD2 ASP A 101 26.826 0.344 -0.883 1.00 0.00 O ATOM 0 H ASP A 101 29.148 -2.378 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 101 26.910 -2.781 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 101 28.240 -0.627 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 101 26.906 -0.664 -3.799 1.00 0.00 H new ATOM 1469 N LEU A 102 26.241 -2.802 -4.912 1.00 0.00 N ATOM 1470 CA LEU A 102 25.265 -3.274 -5.886 1.00 0.00 C ATOM 1471 C LEU A 102 25.422 -4.761 -6.110 1.00 0.00 C ATOM 1472 O LEU A 102 24.459 -5.450 -6.390 1.00 0.00 O ATOM 1473 CB LEU A 102 25.454 -2.574 -7.232 1.00 0.00 C ATOM 1474 CG LEU A 102 26.891 -2.799 -7.720 1.00 0.00 C ATOM 1475 CD1 LEU A 102 27.011 -4.160 -8.424 1.00 0.00 C ATOM 1476 CD2 LEU A 102 27.281 -1.691 -8.696 1.00 0.00 C ATOM 0 H LEU A 102 27.033 -2.297 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 102 24.275 -3.051 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 102 24.744 -2.964 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.254 -1.507 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 102 27.558 -2.784 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.036 -4.304 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.745 -4.955 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.337 -4.187 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.302 -1.853 -9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.603 -1.703 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.216 -0.725 -8.195 1.00 0.00 H new ATOM 1488 N GLN A 103 26.644 -5.246 -6.001 1.00 0.00 N ATOM 1489 CA GLN A 103 26.905 -6.658 -6.218 1.00 0.00 C ATOM 1490 C GLN A 103 26.178 -7.470 -5.177 1.00 0.00 C ATOM 1491 O GLN A 103 25.637 -8.542 -5.453 1.00 0.00 O ATOM 1492 CB GLN A 103 28.406 -6.919 -6.132 1.00 0.00 C ATOM 1493 CG GLN A 103 28.864 -7.727 -7.347 1.00 0.00 C ATOM 1494 CD GLN A 103 30.115 -8.526 -7.000 1.00 0.00 C ATOM 1495 OE1 GLN A 103 31.104 -7.960 -6.533 1.00 0.00 O ATOM 1496 NE2 GLN A 103 30.131 -9.816 -7.197 1.00 0.00 N ATOM 0 H GLN A 103 27.466 -4.690 -5.766 1.00 0.00 H new ATOM 0 HA GLN A 103 26.550 -6.948 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 103 28.946 -5.973 -6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 103 28.638 -7.461 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 103 28.069 -8.401 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 103 29.070 -7.058 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 103 29.311 -10.283 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 103 30.964 -10.357 -6.964 1.00 0.00 H new ATOM 1505 N ALA A 104 26.173 -6.934 -3.982 1.00 0.00 N ATOM 1506 CA ALA A 104 25.523 -7.578 -2.873 1.00 0.00 C ATOM 1507 C ALA A 104 24.013 -7.403 -2.962 1.00 0.00 C ATOM 1508 O ALA A 104 23.271 -8.384 -2.994 1.00 0.00 O ATOM 1509 CB ALA A 104 26.060 -6.984 -1.578 1.00 0.00 C ATOM 0 H ALA A 104 26.617 -6.045 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 104 25.733 -8.647 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.574 -7.464 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 104 27.136 -7.148 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.854 -5.914 -1.556 1.00 0.00 H new ATOM 1515 N ALA A 105 23.564 -6.157 -3.028 1.00 0.00 N ATOM 1516 CA ALA A 105 22.138 -5.888 -3.143 1.00 0.00 C ATOM 1517 C ALA A 105 21.581 -6.665 -4.329 1.00 0.00 C ATOM 1518 O ALA A 105 20.639 -7.453 -4.200 1.00 0.00 O ATOM 1519 CB ALA A 105 21.909 -4.392 -3.362 1.00 0.00 C ATOM 0 H ALA A 105 24.157 -5.327 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 105 21.634 -6.196 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 105 20.840 -4.196 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 105 22.314 -3.834 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 105 22.410 -4.077 -4.278 1.00 0.00 H new ATOM 1525 N ILE A 106 22.196 -6.441 -5.482 1.00 0.00 N ATOM 1526 CA ILE A 106 21.801 -7.115 -6.707 1.00 0.00 C ATOM 1527 C ILE A 106 21.746 -8.613 -6.501 1.00 0.00 C ATOM 1528 O ILE A 106 20.753 -9.244 -6.812 1.00 0.00 O ATOM 1529 CB ILE A 106 22.803 -6.831 -7.806 1.00 0.00 C ATOM 1530 CG1 ILE A 106 22.789 -5.341 -8.155 1.00 0.00 C ATOM 1531 CG2 ILE A 106 22.441 -7.655 -9.041 1.00 0.00 C ATOM 1532 CD1 ILE A 106 21.729 -5.071 -9.227 1.00 0.00 C ATOM 0 H ILE A 106 22.976 -5.793 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 106 20.815 -6.743 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 106 23.802 -7.103 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 106 22.577 -4.751 -7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 106 23.771 -5.033 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 106 23.159 -7.454 -9.836 1.00 0.00 H new ATOM 0 HG22 ILE A 106 22.464 -8.716 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 106 21.441 -7.384 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 106 21.722 -4.009 -9.473 1.00 0.00 H new ATOM 0 HD12 ILE A 106 21.961 -5.649 -10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 106 20.748 -5.363 -8.851 1.00 0.00 H new ATOM 1544 N ALA A 107 22.836 -9.174 -5.994 1.00 0.00 N ATOM 1545 CA ALA A 107 22.909 -10.610 -5.769 1.00 0.00 C ATOM 1546 C ALA A 107 21.758 -11.086 -4.888 1.00 0.00 C ATOM 1547 O ALA A 107 21.079 -12.060 -5.208 1.00 0.00 O ATOM 1548 CB ALA A 107 24.238 -10.952 -5.106 1.00 0.00 C ATOM 0 H ALA A 107 23.677 -8.659 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 107 22.833 -11.115 -6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 107 24.294 -12.027 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 107 25.058 -10.643 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 107 24.314 -10.430 -4.152 1.00 0.00 H new ATOM 1554 N LEU A 108 21.550 -10.393 -3.776 1.00 0.00 N ATOM 1555 CA LEU A 108 20.484 -10.753 -2.849 1.00 0.00 C ATOM 1556 C LEU A 108 19.127 -10.732 -3.546 1.00 0.00 C ATOM 1557 O LEU A 108 18.230 -11.502 -3.201 1.00 0.00 O ATOM 1558 CB LEU A 108 20.474 -9.773 -1.674 1.00 0.00 C ATOM 1559 CG LEU A 108 19.416 -10.203 -0.653 1.00 0.00 C ATOM 1560 CD1 LEU A 108 19.742 -9.586 0.708 1.00 0.00 C ATOM 1561 CD2 LEU A 108 18.028 -9.733 -1.106 1.00 0.00 C ATOM 0 H LEU A 108 22.102 -9.583 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 108 20.669 -11.764 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 108 21.457 -9.744 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 20.261 -8.765 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 108 19.417 -11.290 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.990 -9.891 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 108 20.724 -9.927 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.745 -8.499 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.282 -10.043 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.022 -8.646 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.792 -10.175 -2.074 1.00 0.00 H new ATOM 1573 N SER A 109 18.977 -9.838 -4.515 1.00 0.00 N ATOM 1574 CA SER A 109 17.716 -9.717 -5.240 1.00 0.00 C ATOM 1575 C SER A 109 17.723 -10.545 -6.519 1.00 0.00 C ATOM 1576 O SER A 109 16.673 -10.829 -7.096 1.00 0.00 O ATOM 1577 CB SER A 109 17.483 -8.253 -5.593 1.00 0.00 C ATOM 1578 OG SER A 109 16.160 -7.881 -5.225 1.00 0.00 O ATOM 0 H SER A 109 19.705 -9.190 -4.816 1.00 0.00 H new ATOM 0 HA SER A 109 16.917 -10.090 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 109 18.207 -7.623 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.632 -8.097 -6.661 1.00 0.00 H new ATOM 0 HG SER A 109 16.010 -6.939 -5.450 1.00 0.00 H new ATOM 1584 N LEU A 110 18.910 -10.912 -6.961 1.00 0.00 N ATOM 1585 CA LEU A 110 19.060 -11.693 -8.180 1.00 0.00 C ATOM 1586 C LEU A 110 18.987 -13.177 -7.851 1.00 0.00 C ATOM 1587 O LEU A 110 18.752 -14.013 -8.722 1.00 0.00 O ATOM 1588 CB LEU A 110 20.399 -11.346 -8.856 1.00 0.00 C ATOM 1589 CG LEU A 110 20.993 -12.579 -9.550 1.00 0.00 C ATOM 1590 CD1 LEU A 110 20.021 -13.101 -10.612 1.00 0.00 C ATOM 1591 CD2 LEU A 110 22.307 -12.186 -10.226 1.00 0.00 C ATOM 0 H LEU A 110 19.788 -10.683 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 110 18.252 -11.453 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.248 -10.550 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.100 -10.968 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 110 21.169 -13.359 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.451 -13.976 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.078 -13.375 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.841 -12.323 -11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.736 -13.057 -10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.118 -11.406 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 110 23.005 -11.815 -9.476 1.00 0.00 H new ATOM 1603 N LEU A 111 19.178 -13.489 -6.579 1.00 0.00 N ATOM 1604 CA LEU A 111 19.124 -14.875 -6.129 1.00 0.00 C ATOM 1605 C LEU A 111 17.681 -15.296 -5.903 1.00 0.00 C ATOM 1606 O LEU A 111 17.344 -16.479 -5.964 1.00 0.00 O ATOM 1607 CB LEU A 111 19.912 -15.038 -4.830 1.00 0.00 C ATOM 1608 CG LEU A 111 20.191 -16.520 -4.586 1.00 0.00 C ATOM 1609 CD1 LEU A 111 21.517 -16.908 -5.243 1.00 0.00 C ATOM 1610 CD2 LEU A 111 20.271 -16.782 -3.081 1.00 0.00 C ATOM 0 H LEU A 111 19.370 -12.809 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 111 19.566 -15.507 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.850 -14.485 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.348 -14.621 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 111 19.386 -17.116 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 111 21.714 -17.966 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.460 -16.722 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 111 22.323 -16.313 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 111 20.470 -17.839 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 111 21.075 -16.185 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 111 19.325 -16.509 -2.613 1.00 0.00 H new ATOM 1622 N GLU A 112 16.839 -14.311 -5.645 1.00 0.00 N ATOM 1623 CA GLU A 112 15.421 -14.556 -5.408 1.00 0.00 C ATOM 1624 C GLU A 112 14.573 -13.502 -6.107 1.00 0.00 C ATOM 1625 O GLU A 112 14.285 -13.612 -7.298 1.00 0.00 O ATOM 1626 CB GLU A 112 15.132 -14.532 -3.906 1.00 0.00 C ATOM 1627 CG GLU A 112 15.911 -15.653 -3.213 1.00 0.00 C ATOM 1628 CD GLU A 112 16.833 -15.067 -2.149 1.00 0.00 C ATOM 1629 OE1 GLU A 112 17.452 -14.053 -2.423 1.00 0.00 O ATOM 1630 OE2 GLU A 112 16.904 -15.643 -1.075 1.00 0.00 O ATOM 0 H GLU A 112 17.111 -13.329 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 112 15.167 -15.536 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.415 -13.566 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.064 -14.655 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.218 -16.360 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.495 -16.208 -3.947 1.00 0.00 H new ATOM 1637 N SER A 113 14.183 -12.488 -5.344 1.00 0.00 N ATOM 1638 CA SER A 113 13.361 -11.393 -5.864 1.00 0.00 C ATOM 1639 C SER A 113 13.312 -11.408 -7.392 1.00 0.00 C ATOM 1640 O SER A 113 14.244 -10.947 -8.053 1.00 0.00 O ATOM 1641 CB SER A 113 13.932 -10.056 -5.390 1.00 0.00 C ATOM 1642 OG SER A 113 14.381 -10.188 -4.049 1.00 0.00 O ATOM 0 H SER A 113 14.423 -12.398 -4.357 1.00 0.00 H new ATOM 0 HA SER A 113 12.346 -11.524 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.757 -9.751 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 113 13.171 -9.278 -5.456 1.00 0.00 H new ATOM 0 HG SER A 113 14.749 -9.333 -3.742 1.00 0.00 H new ATOM 1648 N PRO A 114 12.253 -11.925 -7.962 1.00 0.00 N ATOM 1649 CA PRO A 114 12.089 -11.998 -9.439 1.00 0.00 C ATOM 1650 C PRO A 114 11.635 -10.673 -10.041 1.00 0.00 C ATOM 1651 O PRO A 114 12.449 -9.800 -10.340 1.00 0.00 O ATOM 1652 CB PRO A 114 11.023 -13.076 -9.624 1.00 0.00 C ATOM 1653 CG PRO A 114 10.196 -13.035 -8.381 1.00 0.00 C ATOM 1654 CD PRO A 114 11.091 -12.498 -7.260 1.00 0.00 C ATOM 0 HA PRO A 114 13.028 -12.223 -9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 114 10.415 -12.879 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.477 -14.057 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 114 9.325 -12.394 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.824 -14.029 -8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.574 -11.744 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.392 -13.292 -6.576 1.00 0.00 H new ATOM 1662 N LYS A 115 10.330 -10.536 -10.211 1.00 0.00 N ATOM 1663 CA LYS A 115 9.759 -9.319 -10.774 1.00 0.00 C ATOM 1664 C LYS A 115 9.197 -8.442 -9.664 1.00 0.00 C ATOM 1665 O LYS A 115 9.413 -8.710 -8.483 1.00 0.00 O ATOM 1666 CB LYS A 115 8.646 -9.672 -11.764 1.00 0.00 C ATOM 1667 CG LYS A 115 7.492 -10.341 -11.015 1.00 0.00 C ATOM 1668 CD LYS A 115 6.830 -11.384 -11.919 1.00 0.00 C ATOM 1669 CE LYS A 115 7.525 -12.733 -11.733 1.00 0.00 C ATOM 1670 NZ LYS A 115 7.046 -13.372 -10.475 1.00 0.00 N ATOM 0 H LYS A 115 9.645 -11.251 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 115 10.544 -8.773 -11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.294 -8.772 -12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.029 -10.340 -12.535 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.861 -10.815 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.761 -9.593 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.771 -11.472 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.893 -11.071 -12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.317 -13.381 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.605 -12.595 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.822 -13.912 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.724 -12.637 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.256 -14.014 -10.690 1.00 0.00 H new ATOM 1684 N ILE A 116 8.474 -7.395 -10.044 1.00 0.00 N ATOM 1685 CA ILE A 116 7.892 -6.497 -9.056 1.00 0.00 C ATOM 1686 C ILE A 116 6.369 -6.560 -9.099 1.00 0.00 C ATOM 1687 O ILE A 116 5.785 -7.147 -10.010 1.00 0.00 O ATOM 1688 CB ILE A 116 8.353 -5.061 -9.308 1.00 0.00 C ATOM 1689 CG1 ILE A 116 9.713 -5.073 -10.009 1.00 0.00 C ATOM 1690 CG2 ILE A 116 8.478 -4.322 -7.973 1.00 0.00 C ATOM 1691 CD1 ILE A 116 10.274 -3.650 -10.051 1.00 0.00 C ATOM 0 H ILE A 116 8.279 -7.150 -11.015 1.00 0.00 H new ATOM 0 HA ILE A 116 8.229 -6.815 -8.070 1.00 0.00 H new ATOM 0 HB ILE A 116 7.623 -4.554 -9.939 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.402 -5.732 -9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.610 -5.465 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.807 -3.298 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.510 -4.309 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.206 -4.831 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.243 -3.656 -10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.588 -3.004 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.392 -3.275 -9.034 1.00 0.00 H new ATOM 1703 N GLN A 117 5.732 -5.951 -8.103 1.00 0.00 N ATOM 1704 CA GLN A 117 4.275 -5.942 -8.027 1.00 0.00 C ATOM 1705 C GLN A 117 3.691 -4.903 -8.978 1.00 0.00 C ATOM 1706 O GLN A 117 2.581 -4.413 -8.770 1.00 0.00 O ATOM 1707 CB GLN A 117 3.834 -5.630 -6.596 1.00 0.00 C ATOM 1708 CG GLN A 117 4.597 -4.408 -6.079 1.00 0.00 C ATOM 1709 CD GLN A 117 5.416 -4.785 -4.849 1.00 0.00 C ATOM 1710 OE1 GLN A 117 6.539 -5.273 -4.975 1.00 0.00 O ATOM 1711 NE2 GLN A 117 4.917 -4.588 -3.660 1.00 0.00 N ATOM 0 H GLN A 117 6.199 -5.460 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 117 3.909 -6.926 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.761 -5.440 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 117 4.022 -6.488 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.254 -4.023 -6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.897 -3.611 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 117 3.986 -4.183 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.458 -4.838 -2.832 1.00 0.00 H new ATOM 1720 N ALA A 118 4.443 -4.569 -10.021 1.00 0.00 N ATOM 1721 CA ALA A 118 3.983 -3.586 -10.995 1.00 0.00 C ATOM 1722 C ALA A 118 3.849 -4.222 -12.374 1.00 0.00 C ATOM 1723 O ALA A 118 4.107 -5.413 -12.547 1.00 0.00 O ATOM 1724 CB ALA A 118 4.965 -2.416 -11.062 1.00 0.00 C ATOM 0 H ALA A 118 5.365 -4.960 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 118 3.006 -3.220 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.613 -1.687 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.035 -1.944 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.948 -2.782 -11.360 1.00 0.00 H new ATOM 1730 N ASP A 119 3.443 -3.421 -13.354 1.00 0.00 N ATOM 1731 CA ASP A 119 3.277 -3.919 -14.714 1.00 0.00 C ATOM 1732 C ASP A 119 3.553 -2.816 -15.731 1.00 0.00 C ATOM 1733 O ASP A 119 4.423 -2.955 -16.590 1.00 0.00 O ATOM 1734 CB ASP A 119 1.854 -4.449 -14.903 1.00 0.00 C ATOM 1735 CG ASP A 119 1.676 -5.748 -14.124 1.00 0.00 C ATOM 1736 OD1 ASP A 119 2.594 -6.553 -14.137 1.00 0.00 O ATOM 1737 OD2 ASP A 119 0.627 -5.920 -13.527 1.00 0.00 O ATOM 0 H ASP A 119 3.224 -2.432 -13.233 1.00 0.00 H new ATOM 0 HA ASP A 119 3.991 -4.727 -14.874 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.132 -3.708 -14.561 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.658 -4.620 -15.962 1.00 0.00 H new ATOM 1742 N GLY A 120 2.805 -1.722 -15.628 1.00 0.00 N ATOM 1743 CA GLY A 120 2.981 -0.601 -16.546 1.00 0.00 C ATOM 1744 C GLY A 120 2.093 -0.760 -17.776 1.00 0.00 C ATOM 1745 O GLY A 120 2.331 -1.681 -18.539 1.00 0.00 O ATOM 0 H GLY A 120 2.078 -1.588 -14.925 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.740 0.332 -16.037 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.025 -0.537 -16.852 1.00 0.00 H new TER 1749 GLY A 120