USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 730 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 86 GLN :FLIP amide:sc= -1.01 F(o=-3.4,f=-2.4) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.816 K(o=-2.4,f=-5.9!) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -0.566 K(o=-2.4,f=-6.1) USER MOD Set 2.1: A 74 SER OG : rot 90:sc= 0.676 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.614 K(o=1.3,f=-0.36) USER MOD Set 3.1: A 44 ASN : amide:sc= 1.29 K(o=1.5,f=-11!) USER MOD Set 3.2: A 47 LYS NZ :NH3+ -173:sc= 0.87 (180deg=-0.515) USER MOD Set 3.3: A 48 LYS NZ :NH3+ -149:sc= -0.645 (180deg=0.207) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 171:sc= 0.0878! (180deg=-0.671) USER MOD Set 4.2: A 31 SER OG : rot 78:sc= 0.865 USER MOD Set 5.1: A 10 HIS :FLIP no HD1:sc= -0.461 F(o=-3.3!,f=-0.64) USER MOD Set 5.2: A 11 GLN :FLIP amide:sc= -0.18 F(o=-3.3!,f=-0.64) USER MOD Single : A 16 MET CE :methyl 154:sc= 0 (180deg=-0.939) USER MOD Single : A 21 SER OG : rot -59:sc= 0.668 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.797! (180deg=-1.29) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0446 (180deg=-0.346) USER MOD Single : A 32 SER OG : rot 70:sc= 0.644 USER MOD Single : A 43 GLN : amide:sc= 0.0842 K(o=0.084,f=-6.5!) USER MOD Single : A 49 HIS : no HE2:sc= 0.666 K(o=0.67,f=-2.1!) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.15 (180deg=1) USER MOD Single : A 59 HIS : +bothHN:sc= -10! C(o=-10!,f=-20!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.527 F(o=-1.7,f=-0.53) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.53 USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= -0.719 (180deg=-1.33) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= -1.1 (180deg=-1.54) USER MOD Single : A 77 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot -96:sc= 0.516 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 0.402 (180deg=-1.07!) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.591 (180deg=-0.809) USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= -0.284 (180deg=-0.454) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 23.214 -8.311 -14.529 1.00 1.70 N ATOM 2 CA HIS A 10 22.747 -9.599 -15.035 1.00 1.73 C ATOM 3 C HIS A 10 23.618 -10.728 -14.500 1.00 1.58 C ATOM 4 O HIS A 10 23.114 -11.769 -14.077 1.00 1.52 O ATOM 5 CB HIS A 10 22.745 -9.600 -16.568 1.00 2.04 C ATOM 6 CG HIS A 10 22.836 -10.965 -17.181 1.00 2.54 C ATOM 7 ND1 HIS A 10 23.627 -11.420 -18.188 1.00 3.19 N flip ATOM 8 CD2 HIS A 10 22.069 -12.039 -16.787 1.00 3.29 C flip ATOM 9 CE1 HIS A 10 23.351 -12.766 -18.414 1.00 4.01 C flip ATOM 10 NE2 HIS A 10 22.409 -13.088 -17.548 1.00 4.11 N flip ATOM 0 HA HIS A 10 21.726 -9.759 -14.688 1.00 1.73 H new ATOM 0 HB2 HIS A 10 21.834 -9.116 -16.919 1.00 2.04 H new ATOM 0 HB3 HIS A 10 23.582 -8.998 -16.922 1.00 2.04 H new ATOM 0 HD2 HIS A 10 21.325 -12.036 -16.004 1.00 3.29 H new ATOM 0 HE1 HIS A 10 23.812 -13.412 -19.146 1.00 4.01 H new ATOM 0 HE2 HIS A 10 21.993 -14.016 -17.468 1.00 4.11 H new ATOM 18 N GLN A 11 24.929 -10.513 -14.516 1.00 1.60 N ATOM 19 CA GLN A 11 25.865 -11.511 -14.021 1.00 1.56 C ATOM 20 C GLN A 11 25.689 -11.699 -12.521 1.00 1.29 C ATOM 21 O GLN A 11 25.908 -12.790 -12.001 1.00 1.26 O ATOM 22 CB GLN A 11 27.308 -11.118 -14.354 1.00 1.75 C ATOM 23 CG GLN A 11 27.788 -11.641 -15.702 1.00 2.28 C ATOM 24 CD GLN A 11 26.683 -11.673 -16.741 1.00 3.08 C ATOM 25 OE1 GLN A 11 25.975 -12.794 -16.817 1.00 3.64 O flip ATOM 26 NE2 GLN A 11 26.465 -10.700 -17.463 1.00 3.73 N flip ATOM 0 H GLN A 11 25.365 -9.659 -14.865 1.00 1.60 H new ATOM 0 HA GLN A 11 25.653 -12.459 -14.516 1.00 1.56 H new ATOM 0 HB2 GLN A 11 27.391 -10.031 -14.345 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.968 -11.494 -13.572 1.00 1.75 H new ATOM 0 HG2 GLN A 11 28.603 -11.013 -16.062 1.00 2.28 H new ATOM 0 HG3 GLN A 11 28.192 -12.645 -15.575 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.034 -9.859 -17.370 1.00 3.73 H new ATOM 0 HE22 GLN A 11 25.715 -10.735 -18.154 1.00 3.73 H new ATOM 35 N PHE A 12 25.270 -10.640 -11.824 1.00 1.14 N ATOM 36 CA PHE A 12 25.056 -10.729 -10.388 1.00 0.98 C ATOM 37 C PHE A 12 24.038 -11.819 -10.096 1.00 0.94 C ATOM 38 O PHE A 12 24.279 -12.700 -9.277 1.00 0.91 O ATOM 39 CB PHE A 12 24.575 -9.394 -9.811 1.00 0.98 C ATOM 40 CG PHE A 12 24.231 -9.484 -8.351 1.00 0.86 C ATOM 41 CD1 PHE A 12 25.220 -9.369 -7.387 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.926 -9.713 -7.943 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.914 -9.477 -6.044 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.615 -9.825 -6.601 1.00 0.82 C ATOM 45 CZ PHE A 12 23.610 -9.706 -5.649 1.00 0.76 C ATOM 0 H PHE A 12 25.076 -9.724 -12.229 1.00 1.14 H new ATOM 0 HA PHE A 12 26.006 -10.974 -9.913 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.351 -8.641 -9.952 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.700 -9.057 -10.366 1.00 0.98 H new ATOM 0 HD1 PHE A 12 26.242 -9.193 -7.689 1.00 0.83 H new ATOM 0 HD2 PHE A 12 22.144 -9.805 -8.682 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.694 -9.382 -5.303 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.595 -10.005 -6.296 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.369 -9.792 -4.600 1.00 0.76 H new ATOM 55 N PHE A 13 22.900 -11.766 -10.791 1.00 1.03 N ATOM 56 CA PHE A 13 21.859 -12.769 -10.606 1.00 1.16 C ATOM 57 C PHE A 13 22.461 -14.163 -10.719 1.00 1.12 C ATOM 58 O PHE A 13 22.263 -15.011 -9.848 1.00 1.08 O ATOM 59 CB PHE A 13 20.738 -12.593 -11.639 1.00 1.42 C ATOM 60 CG PHE A 13 19.377 -12.913 -11.090 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.074 -14.199 -10.675 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.410 -11.928 -10.967 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.832 -14.497 -10.149 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.165 -12.221 -10.444 1.00 2.42 C ATOM 65 CZ PHE A 13 16.876 -13.508 -10.033 1.00 2.77 C ATOM 0 H PHE A 13 22.680 -11.046 -11.479 1.00 1.03 H new ATOM 0 HA PHE A 13 21.428 -12.641 -9.613 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.745 -11.565 -12.002 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.938 -13.235 -12.497 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.817 -14.978 -10.764 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.632 -10.920 -11.284 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.609 -15.504 -9.828 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.419 -11.445 -10.357 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.905 -13.740 -9.622 1.00 2.77 H new ATOM 75 N ARG A 14 23.214 -14.383 -11.795 1.00 1.21 N ATOM 76 CA ARG A 14 23.865 -15.667 -12.019 1.00 1.30 C ATOM 77 C ARG A 14 24.718 -16.038 -10.811 1.00 1.14 C ATOM 78 O ARG A 14 24.558 -17.113 -10.239 1.00 1.12 O ATOM 79 CB ARG A 14 24.720 -15.621 -13.292 1.00 1.55 C ATOM 80 CG ARG A 14 25.506 -16.900 -13.560 1.00 1.71 C ATOM 81 CD ARG A 14 26.977 -16.611 -13.825 1.00 2.48 C ATOM 82 NE ARG A 14 27.770 -16.648 -12.598 1.00 2.80 N ATOM 83 CZ ARG A 14 28.163 -17.771 -12.005 1.00 3.53 C ATOM 84 NH1 ARG A 14 27.854 -18.948 -12.534 1.00 4.35 N ATOM 85 NH2 ARG A 14 28.863 -17.718 -10.882 1.00 3.79 N ATOM 0 H ARG A 14 23.387 -13.689 -12.522 1.00 1.21 H new ATOM 0 HA ARG A 14 23.099 -16.431 -12.152 1.00 1.30 H new ATOM 0 HB2 ARG A 14 24.072 -15.420 -14.145 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.418 -14.787 -13.218 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.415 -17.569 -12.705 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.077 -17.418 -14.417 1.00 1.71 H new ATOM 0 HD2 ARG A 14 27.369 -17.342 -14.532 1.00 2.48 H new ATOM 0 HD3 ARG A 14 27.076 -15.631 -14.292 1.00 2.48 H new ATOM 0 HE ARG A 14 28.037 -15.761 -12.172 1.00 2.80 H new ATOM 0 HH11 ARG A 14 27.314 -18.993 -13.398 1.00 4.35 H new ATOM 0 HH12 ARG A 14 28.157 -19.808 -12.077 1.00 4.35 H new ATOM 0 HH21 ARG A 14 29.101 -16.815 -10.471 1.00 3.79 H new ATOM 0 HH22 ARG A 14 29.164 -18.580 -10.428 1.00 3.79 H new ATOM 99 N ASP A 15 25.615 -15.136 -10.417 1.00 1.12 N ATOM 100 CA ASP A 15 26.475 -15.376 -9.262 1.00 1.14 C ATOM 101 C ASP A 15 25.638 -15.800 -8.061 1.00 1.00 C ATOM 102 O ASP A 15 25.927 -16.804 -7.414 1.00 1.05 O ATOM 103 CB ASP A 15 27.290 -14.121 -8.913 1.00 1.29 C ATOM 104 CG ASP A 15 28.019 -13.530 -10.110 1.00 1.49 C ATOM 105 OD1 ASP A 15 28.416 -14.302 -11.007 1.00 2.10 O ATOM 106 OD2 ASP A 15 28.203 -12.294 -10.143 1.00 1.84 O ATOM 0 H ASP A 15 25.764 -14.238 -10.878 1.00 1.12 H new ATOM 0 HA ASP A 15 27.168 -16.178 -9.517 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.624 -13.368 -8.493 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.017 -14.370 -8.140 1.00 1.29 H new ATOM 111 N MET A 16 24.589 -15.032 -7.772 1.00 0.93 N ATOM 112 CA MET A 16 23.704 -15.331 -6.650 1.00 0.98 C ATOM 113 C MET A 16 23.204 -16.771 -6.729 1.00 0.88 C ATOM 114 O MET A 16 23.355 -17.546 -5.780 1.00 0.88 O ATOM 115 CB MET A 16 22.516 -14.358 -6.631 1.00 1.15 C ATOM 116 CG MET A 16 22.491 -13.443 -5.413 1.00 1.45 C ATOM 117 SD MET A 16 21.115 -13.798 -4.302 1.00 1.92 S ATOM 118 CE MET A 16 21.556 -15.434 -3.721 1.00 2.23 C ATOM 0 H MET A 16 24.332 -14.198 -8.300 1.00 0.93 H new ATOM 0 HA MET A 16 24.270 -15.211 -5.726 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.545 -13.746 -7.533 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.589 -14.930 -6.663 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.429 -13.546 -4.867 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.427 -12.406 -5.744 1.00 1.45 H new ATOM 0 HE1 MET A 16 21.112 -15.604 -2.740 1.00 2.23 H new ATOM 0 HE2 MET A 16 21.184 -16.181 -4.422 1.00 2.23 H new ATOM 0 HE3 MET A 16 22.641 -15.514 -3.647 1.00 2.23 H new ATOM 128 N ASP A 17 22.615 -17.128 -7.870 1.00 0.91 N ATOM 129 CA ASP A 17 22.104 -18.477 -8.071 1.00 0.97 C ATOM 130 C ASP A 17 23.203 -19.500 -7.817 1.00 0.88 C ATOM 131 O ASP A 17 23.002 -20.469 -7.094 1.00 0.86 O ATOM 132 CB ASP A 17 21.550 -18.650 -9.491 1.00 1.19 C ATOM 133 CG ASP A 17 20.682 -17.485 -9.935 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.971 -16.910 -9.082 1.00 2.44 O ATOM 135 OD2 ASP A 17 20.711 -17.150 -11.138 1.00 2.46 O ATOM 0 H ASP A 17 22.482 -16.502 -8.664 1.00 0.91 H new ATOM 0 HA ASP A 17 21.292 -18.639 -7.362 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.380 -18.764 -10.188 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.966 -19.569 -9.538 1.00 1.19 H new ATOM 140 N ASP A 18 24.371 -19.268 -8.408 1.00 0.95 N ATOM 141 CA ASP A 18 25.510 -20.165 -8.234 1.00 1.09 C ATOM 142 C ASP A 18 25.763 -20.428 -6.757 1.00 1.01 C ATOM 143 O ASP A 18 25.948 -21.573 -6.347 1.00 1.05 O ATOM 144 CB ASP A 18 26.764 -19.570 -8.887 1.00 1.33 C ATOM 145 CG ASP A 18 27.243 -20.370 -10.084 1.00 1.90 C ATOM 146 OD1 ASP A 18 26.395 -20.800 -10.895 1.00 2.49 O ATOM 147 OD2 ASP A 18 28.472 -20.557 -10.219 1.00 2.48 O ATOM 0 H ASP A 18 24.554 -18.467 -9.012 1.00 0.95 H new ATOM 0 HA ASP A 18 25.277 -21.112 -8.721 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.554 -18.547 -9.200 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.563 -19.519 -8.147 1.00 1.33 H new ATOM 152 N GLU A 19 25.757 -19.367 -5.960 1.00 1.02 N ATOM 153 CA GLU A 19 25.971 -19.494 -4.523 1.00 1.12 C ATOM 154 C GLU A 19 24.821 -20.275 -3.897 1.00 0.89 C ATOM 155 O GLU A 19 25.024 -21.324 -3.283 1.00 0.88 O ATOM 156 CB GLU A 19 26.091 -18.118 -3.877 1.00 1.38 C ATOM 157 CG GLU A 19 26.980 -17.150 -4.644 1.00 2.04 C ATOM 158 CD GLU A 19 28.375 -17.010 -4.050 1.00 2.53 C ATOM 159 OE1 GLU A 19 28.763 -17.857 -3.216 1.00 3.02 O ATOM 160 OE2 GLU A 19 29.082 -16.051 -4.423 1.00 3.07 O ATOM 0 H GLU A 19 25.607 -18.411 -6.283 1.00 1.02 H new ATOM 0 HA GLU A 19 26.902 -20.034 -4.352 1.00 1.12 H new ATOM 0 HB2 GLU A 19 25.096 -17.684 -3.783 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.485 -18.235 -2.867 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.065 -17.487 -5.677 1.00 2.04 H new ATOM 0 HG3 GLU A 19 26.503 -16.170 -4.667 1.00 2.04 H new ATOM 167 N GLU A 20 23.607 -19.762 -4.067 1.00 0.84 N ATOM 168 CA GLU A 20 22.424 -20.440 -3.545 1.00 0.84 C ATOM 169 C GLU A 20 22.501 -21.933 -3.866 1.00 0.73 C ATOM 170 O GLU A 20 22.179 -22.778 -3.030 1.00 0.78 O ATOM 171 CB GLU A 20 21.145 -19.828 -4.131 1.00 1.03 C ATOM 172 CG GLU A 20 20.425 -18.883 -3.176 1.00 1.61 C ATOM 173 CD GLU A 20 19.705 -19.608 -2.052 1.00 1.98 C ATOM 174 OE1 GLU A 20 20.308 -20.519 -1.445 1.00 2.49 O ATOM 175 OE2 GLU A 20 18.538 -19.259 -1.772 1.00 2.50 O ATOM 0 H GLU A 20 23.416 -18.888 -4.557 1.00 0.84 H new ATOM 0 HA GLU A 20 22.393 -20.311 -2.463 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.397 -19.287 -5.043 1.00 1.03 H new ATOM 0 HB3 GLU A 20 20.465 -20.631 -4.415 1.00 1.03 H new ATOM 0 HG2 GLU A 20 21.148 -18.188 -2.748 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.704 -18.288 -3.737 1.00 1.61 H new ATOM 182 N SER A 21 22.965 -22.258 -5.075 1.00 0.75 N ATOM 183 CA SER A 21 23.117 -23.648 -5.481 1.00 0.89 C ATOM 184 C SER A 21 24.213 -24.300 -4.648 1.00 0.84 C ATOM 185 O SER A 21 24.028 -25.388 -4.103 1.00 0.91 O ATOM 186 CB SER A 21 23.458 -23.740 -6.970 1.00 1.14 C ATOM 187 OG SER A 21 23.059 -24.989 -7.509 1.00 1.59 O ATOM 0 H SER A 21 23.240 -21.578 -5.784 1.00 0.75 H new ATOM 0 HA SER A 21 22.176 -24.172 -5.316 1.00 0.89 H new ATOM 0 HB2 SER A 21 22.963 -22.933 -7.510 1.00 1.14 H new ATOM 0 HB3 SER A 21 24.531 -23.606 -7.109 1.00 1.14 H new ATOM 0 HG SER A 21 23.509 -25.713 -7.025 1.00 1.59 H new ATOM 193 N TRP A 22 25.348 -23.607 -4.526 1.00 0.91 N ATOM 194 CA TRP A 22 26.470 -24.106 -3.738 1.00 1.05 C ATOM 195 C TRP A 22 25.980 -24.551 -2.367 1.00 0.87 C ATOM 196 O TRP A 22 26.352 -25.616 -1.886 1.00 0.92 O ATOM 197 CB TRP A 22 27.562 -23.037 -3.586 1.00 1.38 C ATOM 198 CG TRP A 22 28.556 -23.374 -2.518 1.00 1.53 C ATOM 199 CD1 TRP A 22 29.661 -24.166 -2.644 1.00 2.19 C ATOM 200 CD2 TRP A 22 28.525 -22.945 -1.151 1.00 1.39 C ATOM 201 NE1 TRP A 22 30.308 -24.262 -1.435 1.00 2.16 N ATOM 202 CE2 TRP A 22 29.630 -23.524 -0.509 1.00 1.65 C ATOM 203 CE3 TRP A 22 27.671 -22.129 -0.404 1.00 1.73 C ATOM 204 CZ2 TRP A 22 29.900 -23.318 0.835 1.00 1.79 C ATOM 205 CZ3 TRP A 22 27.945 -21.926 0.929 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.049 -22.520 1.536 1.00 2.11 C ATOM 0 H TRP A 22 25.511 -22.700 -4.964 1.00 0.91 H new ATOM 0 HA TRP A 22 26.904 -24.957 -4.263 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.082 -22.917 -4.536 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.097 -22.079 -3.354 1.00 1.38 H new ATOM 0 HD1 TRP A 22 29.979 -24.646 -3.558 1.00 2.19 H new ATOM 0 HE1 TRP A 22 31.158 -24.798 -1.259 1.00 2.16 H new ATOM 0 HE3 TRP A 22 26.811 -21.666 -0.865 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 30.756 -23.775 1.309 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.293 -21.295 1.515 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.234 -22.344 2.585 1.00 2.11 H new ATOM 217 N ILE A 23 25.145 -23.724 -1.743 1.00 0.80 N ATOM 218 CA ILE A 23 24.589 -24.047 -0.431 1.00 0.90 C ATOM 219 C ILE A 23 24.088 -25.491 -0.407 1.00 0.87 C ATOM 220 O ILE A 23 24.558 -26.314 0.382 1.00 0.95 O ATOM 221 CB ILE A 23 23.428 -23.095 -0.061 1.00 1.16 C ATOM 222 CG1 ILE A 23 23.968 -21.704 0.294 1.00 1.34 C ATOM 223 CG2 ILE A 23 22.603 -23.663 1.088 1.00 1.46 C ATOM 224 CD1 ILE A 23 24.421 -21.574 1.735 1.00 1.92 C ATOM 0 H ILE A 23 24.839 -22.828 -2.123 1.00 0.80 H new ATOM 0 HA ILE A 23 25.386 -23.924 0.303 1.00 0.90 H new ATOM 0 HB ILE A 23 22.775 -23.000 -0.928 1.00 1.16 H new ATOM 0 HG12 ILE A 23 24.806 -21.471 -0.363 1.00 1.34 H new ATOM 0 HG13 ILE A 23 23.193 -20.963 0.098 1.00 1.34 H new ATOM 0 HG21 ILE A 23 21.793 -22.975 1.329 1.00 1.46 H new ATOM 0 HG22 ILE A 23 22.186 -24.626 0.795 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.240 -23.795 1.963 1.00 1.46 H new ATOM 0 HD11 ILE A 23 24.790 -20.563 1.911 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.581 -21.774 2.400 1.00 1.92 H new ATOM 0 HD13 ILE A 23 25.218 -22.291 1.932 1.00 1.92 H new ATOM 236 N LYS A 24 23.143 -25.796 -1.289 1.00 0.92 N ATOM 237 CA LYS A 24 22.587 -27.142 -1.380 1.00 1.18 C ATOM 238 C LYS A 24 23.696 -28.170 -1.608 1.00 1.21 C ATOM 239 O LYS A 24 23.740 -29.209 -0.948 1.00 1.38 O ATOM 240 CB LYS A 24 21.557 -27.208 -2.512 1.00 1.40 C ATOM 241 CG LYS A 24 21.106 -28.620 -2.859 1.00 2.00 C ATOM 242 CD LYS A 24 20.076 -28.616 -3.980 1.00 2.68 C ATOM 243 CE LYS A 24 20.695 -29.000 -5.317 1.00 3.24 C ATOM 244 NZ LYS A 24 21.572 -27.924 -5.859 1.00 3.58 N ATOM 0 H LYS A 24 22.746 -25.130 -1.951 1.00 0.92 H new ATOM 0 HA LYS A 24 22.092 -27.378 -0.438 1.00 1.18 H new ATOM 0 HB2 LYS A 24 20.685 -26.618 -2.230 1.00 1.40 H new ATOM 0 HB3 LYS A 24 21.981 -26.744 -3.403 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.969 -29.216 -3.158 1.00 2.00 H new ATOM 0 HG3 LYS A 24 20.681 -29.095 -1.975 1.00 2.00 H new ATOM 0 HD2 LYS A 24 19.273 -29.312 -3.738 1.00 2.68 H new ATOM 0 HD3 LYS A 24 19.627 -27.626 -4.058 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.276 -29.915 -5.198 1.00 3.24 H new ATOM 0 HE3 LYS A 24 19.903 -29.217 -6.034 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.739 -28.090 -6.872 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 21.109 -27.001 -5.730 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 22.481 -27.929 -5.353 1.00 3.58 H new ATOM 258 N GLU A 25 24.592 -27.869 -2.542 1.00 1.18 N ATOM 259 CA GLU A 25 25.704 -28.765 -2.851 1.00 1.40 C ATOM 260 C GLU A 25 26.554 -29.029 -1.610 1.00 1.37 C ATOM 261 O GLU A 25 27.062 -30.133 -1.421 1.00 1.59 O ATOM 262 CB GLU A 25 26.570 -28.173 -3.969 1.00 1.58 C ATOM 263 CG GLU A 25 26.118 -28.566 -5.367 1.00 2.34 C ATOM 264 CD GLU A 25 24.634 -28.337 -5.591 1.00 2.86 C ATOM 265 OE1 GLU A 25 23.834 -29.216 -5.209 1.00 3.45 O ATOM 266 OE2 GLU A 25 24.272 -27.278 -6.145 1.00 3.26 O ATOM 0 H GLU A 25 24.571 -27.014 -3.098 1.00 1.18 H new ATOM 0 HA GLU A 25 25.290 -29.715 -3.190 1.00 1.40 H new ATOM 0 HB2 GLU A 25 26.561 -27.086 -3.886 1.00 1.58 H new ATOM 0 HB3 GLU A 25 27.602 -28.495 -3.826 1.00 1.58 H new ATOM 0 HG2 GLU A 25 26.684 -27.993 -6.101 1.00 2.34 H new ATOM 0 HG3 GLU A 25 26.348 -29.618 -5.536 1.00 2.34 H new ATOM 273 N LYS A 26 26.701 -28.009 -0.768 1.00 1.19 N ATOM 274 CA LYS A 26 27.485 -28.127 0.456 1.00 1.29 C ATOM 275 C LYS A 26 26.868 -29.162 1.389 1.00 1.31 C ATOM 276 O LYS A 26 27.536 -30.106 1.804 1.00 1.49 O ATOM 277 CB LYS A 26 27.596 -26.761 1.153 1.00 1.34 C ATOM 278 CG LYS A 26 27.592 -26.821 2.677 1.00 1.63 C ATOM 279 CD LYS A 26 28.844 -27.497 3.222 1.00 2.01 C ATOM 280 CE LYS A 26 30.041 -26.558 3.214 1.00 2.27 C ATOM 281 NZ LYS A 26 29.871 -25.433 4.174 1.00 2.77 N ATOM 0 H LYS A 26 26.285 -27.089 -0.913 1.00 1.19 H new ATOM 0 HA LYS A 26 28.489 -28.462 0.195 1.00 1.29 H new ATOM 0 HB2 LYS A 26 28.514 -26.274 0.825 1.00 1.34 H new ATOM 0 HB3 LYS A 26 26.768 -26.133 0.825 1.00 1.34 H new ATOM 0 HG2 LYS A 26 27.520 -25.811 3.080 1.00 1.63 H new ATOM 0 HG3 LYS A 26 26.710 -27.363 3.017 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.658 -27.840 4.240 1.00 2.01 H new ATOM 0 HD3 LYS A 26 29.070 -28.380 2.624 1.00 2.01 H new ATOM 0 HE2 LYS A 26 30.942 -27.117 3.466 1.00 2.27 H new ATOM 0 HE3 LYS A 26 30.183 -26.160 2.209 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 30.800 -25.021 4.394 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 29.261 -24.705 3.751 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 29.433 -25.786 5.049 1.00 2.77 H new ATOM 295 N LYS A 27 25.589 -28.987 1.715 1.00 1.25 N ATOM 296 CA LYS A 27 24.905 -29.924 2.602 1.00 1.48 C ATOM 297 C LYS A 27 25.059 -31.354 2.088 1.00 1.65 C ATOM 298 O LYS A 27 25.217 -32.294 2.870 1.00 1.84 O ATOM 299 CB LYS A 27 23.423 -29.545 2.759 1.00 1.61 C ATOM 300 CG LYS A 27 22.515 -30.017 1.627 1.00 2.10 C ATOM 301 CD LYS A 27 21.423 -30.953 2.130 1.00 2.50 C ATOM 302 CE LYS A 27 21.918 -32.389 2.248 1.00 3.05 C ATOM 303 NZ LYS A 27 22.596 -32.640 3.551 1.00 3.62 N ATOM 0 H LYS A 27 25.012 -28.215 1.383 1.00 1.25 H new ATOM 0 HA LYS A 27 25.367 -29.868 3.588 1.00 1.48 H new ATOM 0 HB2 LYS A 27 23.055 -29.960 3.697 1.00 1.61 H new ATOM 0 HB3 LYS A 27 23.347 -28.461 2.838 1.00 1.61 H new ATOM 0 HG2 LYS A 27 22.059 -29.153 1.143 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.112 -30.528 0.871 1.00 2.10 H new ATOM 0 HD2 LYS A 27 21.069 -30.610 3.102 1.00 2.50 H new ATOM 0 HD3 LYS A 27 20.572 -30.917 1.450 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.076 -33.073 2.140 1.00 3.05 H new ATOM 0 HE3 LYS A 27 22.609 -32.603 1.433 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 22.781 -33.658 3.656 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 23.496 -32.120 3.580 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 21.985 -32.318 4.328 1.00 3.62 H new ATOM 317 N LEU A 28 25.024 -31.512 0.769 1.00 1.65 N ATOM 318 CA LEU A 28 25.175 -32.824 0.153 1.00 1.92 C ATOM 319 C LEU A 28 26.614 -33.312 0.297 1.00 1.96 C ATOM 320 O LEU A 28 26.863 -34.504 0.482 1.00 2.16 O ATOM 321 CB LEU A 28 24.785 -32.763 -1.327 1.00 2.05 C ATOM 322 CG LEU A 28 24.489 -34.120 -1.978 1.00 2.51 C ATOM 323 CD1 LEU A 28 23.304 -34.011 -2.927 1.00 3.19 C ATOM 324 CD2 LEU A 28 25.716 -34.642 -2.713 1.00 2.78 C ATOM 0 H LEU A 28 24.892 -30.748 0.107 1.00 1.65 H new ATOM 0 HA LEU A 28 24.514 -33.526 0.661 1.00 1.92 H new ATOM 0 HB2 LEU A 28 23.904 -32.129 -1.429 1.00 2.05 H new ATOM 0 HB3 LEU A 28 25.591 -32.280 -1.880 1.00 2.05 H new ATOM 0 HG LEU A 28 24.234 -34.829 -1.190 1.00 2.51 H new ATOM 0 HD11 LEU A 28 23.109 -34.984 -3.379 1.00 3.19 H new ATOM 0 HD12 LEU A 28 22.423 -33.685 -2.373 1.00 3.19 H new ATOM 0 HD13 LEU A 28 23.530 -33.286 -3.709 1.00 3.19 H new ATOM 0 HD21 LEU A 28 25.485 -35.605 -3.168 1.00 2.78 H new ATOM 0 HD22 LEU A 28 26.003 -33.934 -3.490 1.00 2.78 H new ATOM 0 HD23 LEU A 28 26.539 -34.761 -2.008 1.00 2.78 H new ATOM 336 N LEU A 29 27.557 -32.377 0.216 1.00 1.84 N ATOM 337 CA LEU A 29 28.972 -32.706 0.338 1.00 2.00 C ATOM 338 C LEU A 29 29.265 -33.318 1.700 1.00 2.03 C ATOM 339 O LEU A 29 29.964 -34.325 1.799 1.00 2.24 O ATOM 340 CB LEU A 29 29.839 -31.462 0.125 1.00 2.00 C ATOM 341 CG LEU A 29 31.336 -31.742 -0.045 1.00 2.43 C ATOM 342 CD1 LEU A 29 31.615 -32.362 -1.408 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.146 -30.465 0.137 1.00 3.08 C ATOM 0 H LEU A 29 27.366 -31.386 0.066 1.00 1.84 H new ATOM 0 HA LEU A 29 29.215 -33.436 -0.434 1.00 2.00 H new ATOM 0 HB2 LEU A 29 29.480 -30.933 -0.758 1.00 2.00 H new ATOM 0 HB3 LEU A 29 29.703 -30.792 0.974 1.00 2.00 H new ATOM 0 HG LEU A 29 31.639 -32.453 0.724 1.00 2.43 H new ATOM 0 HD11 LEU A 29 32.683 -32.553 -1.509 1.00 3.02 H new ATOM 0 HD12 LEU A 29 31.068 -33.300 -1.500 1.00 3.02 H new ATOM 0 HD13 LEU A 29 31.293 -31.677 -2.192 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.206 -30.686 0.012 1.00 3.08 H new ATOM 0 HD22 LEU A 29 31.838 -29.730 -0.607 1.00 3.08 H new ATOM 0 HD23 LEU A 29 31.974 -30.064 1.136 1.00 3.08 H new ATOM 355 N VAL A 30 28.723 -32.707 2.750 1.00 1.90 N ATOM 356 CA VAL A 30 28.927 -33.203 4.106 1.00 2.05 C ATOM 357 C VAL A 30 28.393 -34.624 4.239 1.00 2.27 C ATOM 358 O VAL A 30 29.073 -35.510 4.762 1.00 2.48 O ATOM 359 CB VAL A 30 28.237 -32.303 5.155 1.00 2.03 C ATOM 360 CG1 VAL A 30 28.658 -32.703 6.563 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.545 -30.835 4.892 1.00 2.26 C ATOM 0 H VAL A 30 28.142 -31.871 2.688 1.00 1.90 H new ATOM 0 HA VAL A 30 30.001 -33.192 4.293 1.00 2.05 H new ATOM 0 HB VAL A 30 27.159 -32.441 5.070 1.00 2.03 H new ATOM 0 HG11 VAL A 30 28.162 -32.058 7.288 1.00 2.35 H new ATOM 0 HG12 VAL A 30 28.376 -33.740 6.746 1.00 2.35 H new ATOM 0 HG13 VAL A 30 29.738 -32.598 6.663 1.00 2.35 H new ATOM 0 HG21 VAL A 30 28.049 -30.219 5.642 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.622 -30.674 4.944 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.185 -30.560 3.901 1.00 2.26 H new ATOM 371 N SER A 31 27.172 -34.830 3.753 1.00 2.30 N ATOM 372 CA SER A 31 26.529 -36.138 3.803 1.00 2.61 C ATOM 373 C SER A 31 27.421 -37.213 3.185 1.00 2.74 C ATOM 374 O SER A 31 27.407 -38.364 3.615 1.00 3.01 O ATOM 375 CB SER A 31 25.183 -36.094 3.074 1.00 2.70 C ATOM 376 OG SER A 31 24.412 -34.979 3.493 1.00 2.71 O ATOM 0 H SER A 31 26.606 -34.102 3.318 1.00 2.30 H new ATOM 0 HA SER A 31 26.362 -36.392 4.850 1.00 2.61 H new ATOM 0 HB2 SER A 31 25.350 -36.041 1.998 1.00 2.70 H new ATOM 0 HB3 SER A 31 24.632 -37.014 3.266 1.00 2.70 H new ATOM 0 HG SER A 31 24.750 -34.167 3.061 1.00 2.71 H new ATOM 382 N SER A 32 28.189 -36.827 2.170 1.00 2.63 N ATOM 383 CA SER A 32 29.086 -37.756 1.488 1.00 2.85 C ATOM 384 C SER A 32 30.386 -37.949 2.267 1.00 2.93 C ATOM 385 O SER A 32 30.795 -39.078 2.541 1.00 3.19 O ATOM 386 CB SER A 32 29.396 -37.253 0.076 1.00 2.84 C ATOM 387 OG SER A 32 28.212 -36.865 -0.601 1.00 3.16 O ATOM 0 H SER A 32 28.208 -35.876 1.801 1.00 2.63 H new ATOM 0 HA SER A 32 28.581 -38.720 1.425 1.00 2.85 H new ATOM 0 HB2 SER A 32 30.081 -36.407 0.131 1.00 2.84 H new ATOM 0 HB3 SER A 32 29.901 -38.036 -0.489 1.00 2.84 H new ATOM 0 HG SER A 32 27.859 -36.044 -0.198 1.00 3.16 H new ATOM 393 N GLU A 33 31.037 -36.836 2.601 1.00 2.79 N ATOM 394 CA GLU A 33 32.303 -36.863 3.328 1.00 2.95 C ATOM 395 C GLU A 33 32.103 -36.534 4.808 1.00 3.13 C ATOM 396 O GLU A 33 32.718 -35.610 5.345 1.00 3.53 O ATOM 397 CB GLU A 33 33.287 -35.875 2.685 1.00 3.57 C ATOM 398 CG GLU A 33 34.649 -36.477 2.377 1.00 3.89 C ATOM 399 CD GLU A 33 35.550 -36.538 3.595 1.00 3.97 C ATOM 400 OE1 GLU A 33 36.044 -35.475 4.024 1.00 4.15 O ATOM 401 OE2 GLU A 33 35.763 -37.649 4.122 1.00 4.37 O ATOM 0 H GLU A 33 30.705 -35.898 2.377 1.00 2.79 H new ATOM 0 HA GLU A 33 32.713 -37.871 3.269 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.852 -35.493 1.762 1.00 3.57 H new ATOM 0 HB3 GLU A 33 33.419 -35.023 3.352 1.00 3.57 H new ATOM 0 HG2 GLU A 33 34.516 -37.483 1.978 1.00 3.89 H new ATOM 0 HG3 GLU A 33 35.135 -35.887 1.600 1.00 3.89 H new ATOM 540 N GLN A 43 42.354 -39.210 10.901 1.00 3.28 N ATOM 541 CA GLN A 43 43.096 -38.400 9.944 1.00 3.01 C ATOM 542 C GLN A 43 42.132 -37.589 9.089 1.00 2.82 C ATOM 543 O GLN A 43 42.459 -36.499 8.619 1.00 2.61 O ATOM 544 CB GLN A 43 43.976 -39.285 9.055 1.00 3.07 C ATOM 545 CG GLN A 43 45.381 -38.738 8.853 1.00 3.47 C ATOM 546 CD GLN A 43 45.395 -37.253 8.543 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.598 -36.425 9.430 1.00 4.06 O ATOM 548 NE2 GLN A 43 45.170 -36.909 7.281 1.00 4.24 N ATOM 0 HA GLN A 43 43.742 -37.717 10.495 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.042 -40.279 9.498 1.00 3.07 H new ATOM 0 HB3 GLN A 43 43.497 -39.400 8.083 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.970 -38.923 9.751 1.00 3.47 H new ATOM 0 HG3 GLN A 43 45.863 -39.279 8.039 1.00 3.47 H new ATOM 0 HE21 GLN A 43 45.006 -37.629 6.577 1.00 4.24 H new ATOM 0 HE22 GLN A 43 45.161 -35.924 7.015 1.00 4.24 H new ATOM 557 N ASN A 44 40.935 -38.135 8.901 1.00 2.97 N ATOM 558 CA ASN A 44 39.901 -37.476 8.114 1.00 2.93 C ATOM 559 C ASN A 44 39.466 -36.183 8.793 1.00 2.82 C ATOM 560 O ASN A 44 39.193 -35.185 8.128 1.00 2.66 O ATOM 561 CB ASN A 44 38.699 -38.410 7.938 1.00 3.26 C ATOM 562 CG ASN A 44 37.909 -38.122 6.675 1.00 3.37 C ATOM 563 OD1 ASN A 44 38.118 -37.108 6.011 1.00 3.42 O ATOM 564 ND2 ASN A 44 36.991 -39.017 6.337 1.00 3.83 N ATOM 0 H ASN A 44 40.657 -39.038 9.286 1.00 2.97 H new ATOM 0 HA ASN A 44 40.307 -37.235 7.132 1.00 2.93 H new ATOM 0 HB2 ASN A 44 39.048 -39.443 7.915 1.00 3.26 H new ATOM 0 HB3 ASN A 44 38.041 -38.315 8.802 1.00 3.26 H new ATOM 0 HD21 ASN A 44 36.427 -38.877 5.499 1.00 3.83 H new ATOM 0 HD22 ASN A 44 36.849 -39.845 6.915 1.00 3.83 H new ATOM 571 N LEU A 45 39.421 -36.206 10.123 1.00 3.00 N ATOM 572 CA LEU A 45 39.033 -35.035 10.900 1.00 3.01 C ATOM 573 C LEU A 45 40.025 -33.904 10.668 1.00 2.73 C ATOM 574 O LEU A 45 39.650 -32.816 10.238 1.00 2.57 O ATOM 575 CB LEU A 45 38.963 -35.386 12.390 1.00 3.36 C ATOM 576 CG LEU A 45 38.468 -34.261 13.308 1.00 3.84 C ATOM 577 CD1 LEU A 45 37.694 -34.834 14.487 1.00 4.23 C ATOM 578 CD2 LEU A 45 39.635 -33.412 13.794 1.00 4.27 C ATOM 0 H LEU A 45 39.649 -37.026 10.685 1.00 3.00 H new ATOM 0 HA LEU A 45 38.045 -34.707 10.575 1.00 3.01 H new ATOM 0 HB2 LEU A 45 38.306 -36.247 12.513 1.00 3.36 H new ATOM 0 HB3 LEU A 45 39.955 -35.692 12.721 1.00 3.36 H new ATOM 0 HG LEU A 45 37.796 -33.622 12.735 1.00 3.84 H new ATOM 0 HD11 LEU A 45 37.351 -34.021 15.127 1.00 4.23 H new ATOM 0 HD12 LEU A 45 36.834 -35.394 14.120 1.00 4.23 H new ATOM 0 HD13 LEU A 45 38.342 -35.498 15.060 1.00 4.23 H new ATOM 0 HD21 LEU A 45 39.263 -32.620 14.444 1.00 4.27 H new ATOM 0 HD22 LEU A 45 40.334 -34.038 14.349 1.00 4.27 H new ATOM 0 HD23 LEU A 45 40.145 -32.970 12.938 1.00 4.27 H new ATOM 590 N ARG A 46 41.298 -34.174 10.949 1.00 2.73 N ATOM 591 CA ARG A 46 42.350 -33.180 10.761 1.00 2.59 C ATOM 592 C ARG A 46 42.242 -32.540 9.381 1.00 2.28 C ATOM 593 O ARG A 46 42.386 -31.324 9.233 1.00 2.17 O ATOM 594 CB ARG A 46 43.728 -33.825 10.935 1.00 2.76 C ATOM 595 CG ARG A 46 44.884 -32.838 10.837 1.00 2.97 C ATOM 596 CD ARG A 46 46.222 -33.508 11.111 1.00 3.51 C ATOM 597 NE ARG A 46 46.392 -33.833 12.527 1.00 4.06 N ATOM 598 CZ ARG A 46 46.120 -35.024 13.059 1.00 4.80 C ATOM 599 NH1 ARG A 46 45.674 -36.004 12.286 1.00 5.49 N ATOM 600 NH2 ARG A 46 46.285 -35.235 14.358 1.00 5.15 N ATOM 0 H ARG A 46 41.625 -35.071 11.307 1.00 2.73 H new ATOM 0 HA ARG A 46 42.227 -32.403 11.515 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.767 -34.321 11.905 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.856 -34.597 10.176 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.898 -32.391 9.843 1.00 2.97 H new ATOM 0 HG3 ARG A 46 44.731 -32.027 11.549 1.00 2.97 H new ATOM 0 HD2 ARG A 46 46.299 -34.419 10.518 1.00 3.51 H new ATOM 0 HD3 ARG A 46 47.030 -32.850 10.791 1.00 3.51 H new ATOM 0 HE ARG A 46 46.741 -33.102 13.146 1.00 4.06 H new ATOM 0 HH11 ARG A 46 45.540 -35.845 11.287 1.00 5.49 H new ATOM 0 HH12 ARG A 46 45.465 -36.917 12.690 1.00 5.49 H new ATOM 0 HH21 ARG A 46 46.623 -34.482 14.958 1.00 5.15 H new ATOM 0 HH22 ARG A 46 46.074 -36.150 14.757 1.00 5.15 H new ATOM 614 N LYS A 47 41.982 -33.369 8.369 1.00 2.24 N ATOM 615 CA LYS A 47 41.852 -32.884 7.001 1.00 2.12 C ATOM 616 C LYS A 47 40.616 -32.000 6.864 1.00 2.02 C ATOM 617 O LYS A 47 40.665 -30.939 6.241 1.00 1.89 O ATOM 618 CB LYS A 47 41.791 -34.067 6.020 1.00 2.32 C ATOM 619 CG LYS A 47 40.477 -34.189 5.258 1.00 2.70 C ATOM 620 CD LYS A 47 40.438 -35.445 4.398 1.00 3.12 C ATOM 621 CE LYS A 47 39.218 -35.455 3.489 1.00 3.66 C ATOM 622 NZ LYS A 47 38.669 -36.827 3.300 1.00 4.30 N ATOM 0 H LYS A 47 41.858 -34.376 8.474 1.00 2.24 H new ATOM 0 HA LYS A 47 42.728 -32.282 6.758 1.00 2.12 H new ATOM 0 HB2 LYS A 47 42.605 -33.969 5.302 1.00 2.32 H new ATOM 0 HB3 LYS A 47 41.963 -34.990 6.573 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.647 -34.206 5.964 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.340 -33.311 4.626 1.00 2.70 H new ATOM 0 HD2 LYS A 47 41.344 -35.504 3.795 1.00 3.12 H new ATOM 0 HD3 LYS A 47 40.424 -36.327 5.039 1.00 3.12 H new ATOM 0 HE2 LYS A 47 38.446 -34.812 3.912 1.00 3.66 H new ATOM 0 HE3 LYS A 47 39.486 -35.036 2.519 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 37.916 -36.804 2.583 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 39.428 -37.464 2.984 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 38.280 -37.172 4.200 1.00 4.30 H new ATOM 636 N LYS A 48 39.511 -32.437 7.462 1.00 2.17 N ATOM 637 CA LYS A 48 38.268 -31.679 7.415 1.00 2.20 C ATOM 638 C LYS A 48 38.463 -30.308 8.050 1.00 2.02 C ATOM 639 O LYS A 48 37.986 -29.299 7.535 1.00 1.90 O ATOM 640 CB LYS A 48 37.145 -32.440 8.130 1.00 2.54 C ATOM 641 CG LYS A 48 36.518 -33.541 7.285 1.00 3.02 C ATOM 642 CD LYS A 48 35.524 -34.370 8.087 1.00 3.19 C ATOM 643 CE LYS A 48 35.783 -35.861 7.940 1.00 3.73 C ATOM 644 NZ LYS A 48 35.401 -36.364 6.592 1.00 4.17 N ATOM 0 H LYS A 48 39.453 -33.311 7.984 1.00 2.17 H new ATOM 0 HA LYS A 48 37.984 -31.546 6.371 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.541 -32.878 9.046 1.00 2.54 H new ATOM 0 HB3 LYS A 48 36.369 -31.733 8.424 1.00 2.54 H new ATOM 0 HG2 LYS A 48 36.013 -33.098 6.427 1.00 3.02 H new ATOM 0 HG3 LYS A 48 37.301 -34.190 6.894 1.00 3.02 H new ATOM 0 HD2 LYS A 48 35.585 -34.093 9.139 1.00 3.19 H new ATOM 0 HD3 LYS A 48 34.511 -34.143 7.756 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.839 -36.064 8.117 1.00 3.73 H new ATOM 0 HE3 LYS A 48 35.222 -36.403 8.701 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.088 -37.353 6.666 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.627 -35.783 6.211 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.221 -36.308 5.955 1.00 4.17 H new ATOM 658 N HIS A 49 39.181 -30.278 9.170 1.00 2.10 N ATOM 659 CA HIS A 49 39.453 -29.032 9.875 1.00 2.10 C ATOM 660 C HIS A 49 40.182 -28.052 8.960 1.00 1.82 C ATOM 661 O HIS A 49 39.724 -26.929 8.741 1.00 1.72 O ATOM 662 CB HIS A 49 40.288 -29.297 11.134 1.00 2.37 C ATOM 663 CG HIS A 49 39.641 -28.808 12.393 1.00 2.66 C ATOM 664 ND1 HIS A 49 39.401 -27.480 12.666 1.00 2.97 N ATOM 665 CD2 HIS A 49 39.171 -29.500 13.462 1.00 3.22 C ATOM 666 CE1 HIS A 49 38.807 -27.406 13.865 1.00 3.47 C ATOM 667 NE2 HIS A 49 38.644 -28.605 14.390 1.00 3.60 N ATOM 0 H HIS A 49 39.585 -31.106 9.608 1.00 2.10 H new ATOM 0 HA HIS A 49 38.501 -28.593 10.174 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.470 -30.368 11.221 1.00 2.37 H new ATOM 0 HB3 HIS A 49 41.260 -28.816 11.024 1.00 2.37 H new ATOM 0 HD1 HIS A 49 39.634 -26.692 12.062 1.00 2.97 H new ATOM 0 HD2 HIS A 49 39.201 -30.574 13.575 1.00 3.22 H new ATOM 0 HE1 HIS A 49 38.502 -26.485 14.339 1.00 3.47 H new ATOM 675 N LYS A 50 41.315 -28.491 8.413 1.00 1.76 N ATOM 676 CA LYS A 50 42.098 -27.655 7.511 1.00 1.67 C ATOM 677 C LYS A 50 41.227 -27.131 6.379 1.00 1.49 C ATOM 678 O LYS A 50 41.306 -25.958 6.011 1.00 1.46 O ATOM 679 CB LYS A 50 43.280 -28.444 6.943 1.00 1.79 C ATOM 680 CG LYS A 50 44.339 -28.788 7.980 1.00 2.13 C ATOM 681 CD LYS A 50 45.192 -27.576 8.334 1.00 2.64 C ATOM 682 CE LYS A 50 45.321 -27.403 9.840 1.00 3.07 C ATOM 683 NZ LYS A 50 44.026 -27.027 10.471 1.00 3.17 N ATOM 0 H LYS A 50 41.708 -29.417 8.579 1.00 1.76 H new ATOM 0 HA LYS A 50 42.482 -26.806 8.077 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.909 -29.366 6.496 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.742 -27.865 6.143 1.00 1.79 H new ATOM 0 HG2 LYS A 50 43.857 -29.170 8.880 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.978 -29.584 7.598 1.00 2.13 H new ATOM 0 HD2 LYS A 50 46.183 -27.687 7.894 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.749 -26.679 7.901 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.684 -28.331 10.282 1.00 3.07 H new ATOM 0 HE3 LYS A 50 46.065 -26.636 10.054 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 44.200 -26.658 11.428 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.560 -26.295 9.898 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 43.412 -27.864 10.529 1.00 3.17 H new ATOM 697 N ARG A 51 40.383 -28.004 5.840 1.00 1.50 N ATOM 698 CA ARG A 51 39.485 -27.620 4.762 1.00 1.50 C ATOM 699 C ARG A 51 38.505 -26.565 5.253 1.00 1.38 C ATOM 700 O ARG A 51 38.176 -25.629 4.531 1.00 1.27 O ATOM 701 CB ARG A 51 38.725 -28.838 4.229 1.00 1.77 C ATOM 702 CG ARG A 51 38.077 -28.607 2.871 1.00 2.17 C ATOM 703 CD ARG A 51 36.651 -28.093 3.004 1.00 2.52 C ATOM 704 NE ARG A 51 36.102 -27.660 1.720 1.00 2.87 N ATOM 705 CZ ARG A 51 36.364 -26.479 1.159 1.00 3.47 C ATOM 706 NH1 ARG A 51 37.159 -25.608 1.766 1.00 4.13 N ATOM 707 NH2 ARG A 51 35.826 -26.171 -0.013 1.00 3.79 N ATOM 0 H ARG A 51 40.303 -28.978 6.132 1.00 1.50 H new ATOM 0 HA ARG A 51 40.080 -27.204 3.949 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.412 -29.681 4.155 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.954 -29.117 4.947 1.00 1.77 H new ATOM 0 HG2 ARG A 51 38.670 -27.890 2.303 1.00 2.17 H new ATOM 0 HG3 ARG A 51 38.076 -29.539 2.306 1.00 2.17 H new ATOM 0 HD2 ARG A 51 36.020 -28.878 3.422 1.00 2.52 H new ATOM 0 HD3 ARG A 51 36.630 -27.260 3.707 1.00 2.52 H new ATOM 0 HE ARG A 51 35.481 -28.300 1.224 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.575 -25.840 2.668 1.00 4.13 H new ATOM 0 HH12 ARG A 51 37.355 -24.707 1.331 1.00 4.13 H new ATOM 0 HH21 ARG A 51 35.213 -26.837 -0.484 1.00 3.79 H new ATOM 0 HH22 ARG A 51 36.025 -25.268 -0.444 1.00 3.79 H new ATOM 721 N LEU A 52 38.051 -26.722 6.493 1.00 1.51 N ATOM 722 CA LEU A 52 37.114 -25.781 7.097 1.00 1.55 C ATOM 723 C LEU A 52 37.683 -24.367 7.080 1.00 1.33 C ATOM 724 O LEU A 52 37.046 -23.436 6.583 1.00 1.22 O ATOM 725 CB LEU A 52 36.792 -26.201 8.536 1.00 1.88 C ATOM 726 CG LEU A 52 35.311 -26.127 8.919 1.00 2.21 C ATOM 727 CD1 LEU A 52 35.085 -26.723 10.301 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.819 -24.689 8.868 1.00 2.58 C ATOM 0 H LEU A 52 38.319 -27.496 7.101 1.00 1.51 H new ATOM 0 HA LEU A 52 36.195 -25.791 6.511 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.139 -27.223 8.686 1.00 1.88 H new ATOM 0 HB3 LEU A 52 37.360 -25.568 9.218 1.00 1.88 H new ATOM 0 HG LEU A 52 34.739 -26.711 8.198 1.00 2.21 H new ATOM 0 HD11 LEU A 52 34.027 -26.661 10.555 1.00 2.90 H new ATOM 0 HD12 LEU A 52 35.398 -27.767 10.303 1.00 2.90 H new ATOM 0 HD13 LEU A 52 35.668 -26.168 11.036 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.765 -24.655 9.143 1.00 2.58 H new ATOM 0 HD22 LEU A 52 35.396 -24.082 9.566 1.00 2.58 H new ATOM 0 HD23 LEU A 52 34.943 -24.298 7.858 1.00 2.58 H new ATOM 740 N GLU A 53 38.889 -24.209 7.616 1.00 1.38 N ATOM 741 CA GLU A 53 39.535 -22.901 7.652 1.00 1.39 C ATOM 742 C GLU A 53 39.670 -22.326 6.247 1.00 1.16 C ATOM 743 O GLU A 53 39.302 -21.176 6.000 1.00 1.13 O ATOM 744 CB GLU A 53 40.909 -22.998 8.319 1.00 1.66 C ATOM 745 CG GLU A 53 40.843 -23.246 9.821 1.00 2.20 C ATOM 746 CD GLU A 53 41.191 -24.675 10.199 1.00 2.62 C ATOM 747 OE1 GLU A 53 42.270 -25.152 9.790 1.00 3.08 O ATOM 748 OE2 GLU A 53 40.386 -25.316 10.907 1.00 3.17 O ATOM 0 H GLU A 53 39.436 -24.965 8.029 1.00 1.38 H new ATOM 0 HA GLU A 53 38.909 -22.230 8.240 1.00 1.39 H new ATOM 0 HB2 GLU A 53 41.475 -23.804 7.851 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.458 -22.075 8.136 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.527 -22.565 10.327 1.00 2.20 H new ATOM 0 HG3 GLU A 53 39.840 -23.015 10.179 1.00 2.20 H new ATOM 755 N ALA A 54 40.185 -23.133 5.322 1.00 1.13 N ATOM 756 CA ALA A 54 40.346 -22.699 3.938 1.00 1.16 C ATOM 757 C ALA A 54 38.998 -22.282 3.358 1.00 0.99 C ATOM 758 O ALA A 54 38.892 -21.281 2.648 1.00 1.03 O ATOM 759 CB ALA A 54 40.969 -23.808 3.102 1.00 1.35 C ATOM 0 H ALA A 54 40.497 -24.087 5.505 1.00 1.13 H new ATOM 0 HA ALA A 54 41.015 -21.838 3.916 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.082 -23.468 2.073 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.947 -24.065 3.509 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.325 -24.687 3.125 1.00 1.35 H new ATOM 765 N GLU A 55 37.971 -23.057 3.686 1.00 0.99 N ATOM 766 CA GLU A 55 36.618 -22.788 3.229 1.00 1.06 C ATOM 767 C GLU A 55 36.186 -21.384 3.636 1.00 0.88 C ATOM 768 O GLU A 55 35.837 -20.564 2.790 1.00 0.90 O ATOM 769 CB GLU A 55 35.655 -23.825 3.821 1.00 1.35 C ATOM 770 CG GLU A 55 34.304 -23.888 3.124 1.00 1.84 C ATOM 771 CD GLU A 55 34.335 -24.689 1.832 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.210 -25.569 1.692 1.00 2.20 O ATOM 773 OE2 GLU A 55 33.490 -24.430 0.951 1.00 2.60 O ATOM 0 H GLU A 55 38.055 -23.886 4.274 1.00 0.99 H new ATOM 0 HA GLU A 55 36.596 -22.855 2.141 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.123 -24.808 3.773 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.497 -23.598 4.875 1.00 1.35 H new ATOM 0 HG2 GLU A 55 33.573 -24.330 3.801 1.00 1.84 H new ATOM 0 HG3 GLU A 55 33.966 -22.875 2.908 1.00 1.84 H new ATOM 780 N LEU A 56 36.210 -21.120 4.938 1.00 0.90 N ATOM 781 CA LEU A 56 35.812 -19.819 5.469 1.00 0.98 C ATOM 782 C LEU A 56 36.616 -18.681 4.849 1.00 0.91 C ATOM 783 O LEU A 56 36.079 -17.606 4.579 1.00 0.99 O ATOM 784 CB LEU A 56 35.975 -19.806 6.992 1.00 1.26 C ATOM 785 CG LEU A 56 35.180 -18.720 7.730 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.973 -19.107 9.189 1.00 2.55 C ATOM 787 CD2 LEU A 56 35.884 -17.371 7.626 1.00 2.67 C ATOM 0 H LEU A 56 36.502 -21.792 5.648 1.00 0.90 H new ATOM 0 HA LEU A 56 34.765 -19.662 5.210 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.675 -20.779 7.381 1.00 1.26 H new ATOM 0 HB3 LEU A 56 37.032 -19.681 7.226 1.00 1.26 H new ATOM 0 HG LEU A 56 34.202 -18.631 7.256 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.408 -18.325 9.696 1.00 2.55 H new ATOM 0 HD12 LEU A 56 34.422 -20.046 9.242 1.00 2.55 H new ATOM 0 HD13 LEU A 56 35.941 -19.227 9.674 1.00 2.55 H new ATOM 0 HD21 LEU A 56 35.303 -16.616 8.156 1.00 2.67 H new ATOM 0 HD22 LEU A 56 36.877 -17.443 8.070 1.00 2.67 H new ATOM 0 HD23 LEU A 56 35.976 -17.088 6.577 1.00 2.67 H new ATOM 799 N ALA A 57 37.902 -18.919 4.647 1.00 0.92 N ATOM 800 CA ALA A 57 38.789 -17.914 4.080 1.00 1.14 C ATOM 801 C ALA A 57 38.292 -17.399 2.731 1.00 1.08 C ATOM 802 O ALA A 57 38.176 -16.193 2.521 1.00 1.22 O ATOM 803 CB ALA A 57 40.184 -18.492 3.942 1.00 1.37 C ATOM 0 H ALA A 57 38.358 -19.804 4.868 1.00 0.92 H new ATOM 0 HA ALA A 57 38.806 -17.061 4.759 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.849 -17.740 3.517 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.553 -18.790 4.923 1.00 1.37 H new ATOM 0 HB3 ALA A 57 40.154 -19.362 3.286 1.00 1.37 H new ATOM 809 N ALA A 58 38.020 -18.320 1.813 1.00 1.03 N ATOM 810 CA ALA A 58 37.559 -17.958 0.475 1.00 1.19 C ATOM 811 C ALA A 58 36.073 -17.622 0.453 1.00 1.03 C ATOM 812 O ALA A 58 35.601 -16.918 -0.440 1.00 1.17 O ATOM 813 CB ALA A 58 37.845 -19.097 -0.491 1.00 1.43 C ATOM 0 H ALA A 58 38.110 -19.324 1.970 1.00 1.03 H new ATOM 0 HA ALA A 58 38.102 -17.064 0.168 1.00 1.19 H new ATOM 0 HB1 ALA A 58 37.500 -18.824 -1.488 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.917 -19.290 -0.518 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.323 -19.995 -0.160 1.00 1.43 H new ATOM 819 N HIS A 59 35.334 -18.146 1.422 1.00 0.87 N ATOM 820 CA HIS A 59 33.901 -17.925 1.497 1.00 0.90 C ATOM 821 C HIS A 59 33.553 -16.514 1.934 1.00 0.80 C ATOM 822 O HIS A 59 32.472 -16.016 1.616 1.00 0.89 O ATOM 823 CB HIS A 59 33.274 -18.942 2.435 1.00 1.13 C ATOM 824 CG HIS A 59 33.031 -20.244 1.758 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.992 -20.919 1.044 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.901 -20.972 1.653 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.425 -22.013 0.529 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.157 -22.092 0.869 1.00 2.36 N ATOM 0 H HIS A 59 35.709 -18.730 2.170 1.00 0.87 H new ATOM 0 HA HIS A 59 33.496 -18.052 0.493 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.928 -19.096 3.294 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.332 -18.550 2.818 1.00 1.13 H new ATOM 0 HD1 HIS A 59 34.965 -20.635 0.928 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.951 -20.726 2.104 1.00 1.68 H new ATOM 0 HE1 HIS A 59 33.940 -22.737 -0.085 1.00 2.61 H new ATOM 0 HE2 HIS A 59 31.496 -22.825 0.611 1.00 2.36 H new ATOM 836 N GLU A 60 34.455 -15.867 2.662 1.00 0.87 N ATOM 837 CA GLU A 60 34.198 -14.510 3.115 1.00 1.09 C ATOM 838 C GLU A 60 34.124 -13.579 1.903 1.00 1.11 C ATOM 839 O GLU A 60 33.084 -12.974 1.651 1.00 1.12 O ATOM 840 CB GLU A 60 35.262 -14.060 4.133 1.00 1.39 C ATOM 841 CG GLU A 60 35.564 -12.565 4.123 1.00 1.92 C ATOM 842 CD GLU A 60 34.529 -11.751 4.878 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.322 -12.033 4.725 1.00 2.70 O ATOM 844 OE2 GLU A 60 34.926 -10.830 5.623 1.00 3.01 O ATOM 0 H GLU A 60 35.355 -16.253 2.946 1.00 0.87 H new ATOM 0 HA GLU A 60 33.240 -14.472 3.633 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.931 -14.343 5.132 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.186 -14.604 3.937 1.00 1.39 H new ATOM 0 HG2 GLU A 60 36.546 -12.394 4.564 1.00 1.92 H new ATOM 0 HG3 GLU A 60 35.613 -12.216 3.092 1.00 1.92 H new ATOM 851 N PRO A 61 35.215 -13.459 1.120 1.00 1.23 N ATOM 852 CA PRO A 61 35.228 -12.608 -0.073 1.00 1.42 C ATOM 853 C PRO A 61 34.155 -13.013 -1.081 1.00 1.32 C ATOM 854 O PRO A 61 33.514 -12.161 -1.694 1.00 1.44 O ATOM 855 CB PRO A 61 36.617 -12.843 -0.679 1.00 1.60 C ATOM 856 CG PRO A 61 37.447 -13.367 0.438 1.00 1.59 C ATOM 857 CD PRO A 61 36.512 -14.133 1.327 1.00 1.29 C ATOM 0 HA PRO A 61 35.026 -11.567 0.178 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.572 -13.555 -1.503 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.034 -11.919 -1.079 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.243 -14.010 0.063 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.925 -12.553 0.984 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.466 -15.186 1.050 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.825 -14.091 2.370 1.00 1.29 H new ATOM 865 N ALA A 62 33.982 -14.322 -1.259 1.00 1.18 N ATOM 866 CA ALA A 62 33.007 -14.853 -2.211 1.00 1.22 C ATOM 867 C ALA A 62 31.585 -14.383 -1.915 1.00 1.00 C ATOM 868 O ALA A 62 30.956 -13.726 -2.746 1.00 1.06 O ATOM 869 CB ALA A 62 33.058 -16.375 -2.222 1.00 1.31 C ATOM 0 H ALA A 62 34.506 -15.037 -0.754 1.00 1.18 H new ATOM 0 HA ALA A 62 33.278 -14.468 -3.194 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.328 -16.758 -2.935 1.00 1.31 H new ATOM 0 HB2 ALA A 62 34.056 -16.704 -2.513 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.827 -16.754 -1.226 1.00 1.31 H new ATOM 875 N ILE A 63 31.074 -14.731 -0.737 1.00 0.82 N ATOM 876 CA ILE A 63 29.718 -14.352 -0.357 1.00 0.73 C ATOM 877 C ILE A 63 29.606 -12.844 -0.127 1.00 0.73 C ATOM 878 O ILE A 63 28.619 -12.223 -0.525 1.00 0.73 O ATOM 879 CB ILE A 63 29.240 -15.129 0.898 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.847 -16.566 0.515 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.058 -14.424 1.555 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.673 -17.642 1.195 1.00 0.67 C ATOM 0 H ILE A 63 31.576 -15.272 -0.033 1.00 0.82 H new ATOM 0 HA ILE A 63 29.066 -14.620 -1.188 1.00 0.73 H new ATOM 0 HB ILE A 63 30.063 -15.162 1.612 1.00 0.79 H new ATOM 0 HG12 ILE A 63 27.797 -16.721 0.762 1.00 1.08 H new ATOM 0 HG13 ILE A 63 28.941 -16.680 -0.565 1.00 1.08 H new ATOM 0 HG21 ILE A 63 27.740 -14.987 2.433 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.355 -13.420 1.856 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.232 -14.361 0.846 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.330 -18.624 0.869 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.723 -17.517 0.929 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.560 -17.559 2.276 1.00 0.67 H new ATOM 894 N GLN A 64 30.622 -12.254 0.502 1.00 0.83 N ATOM 895 CA GLN A 64 30.623 -10.817 0.765 1.00 0.95 C ATOM 896 C GLN A 64 30.460 -10.032 -0.533 1.00 0.95 C ATOM 897 O GLN A 64 29.585 -9.173 -0.641 1.00 0.92 O ATOM 898 CB GLN A 64 31.916 -10.397 1.472 1.00 1.17 C ATOM 899 CG GLN A 64 31.908 -8.953 1.951 1.00 1.62 C ATOM 900 CD GLN A 64 33.211 -8.546 2.610 1.00 2.58 C ATOM 901 OE1 GLN A 64 33.646 -9.327 3.590 1.00 3.24 O flip ATOM 902 NE2 GLN A 64 33.820 -7.540 2.244 1.00 3.27 N flip ATOM 0 H GLN A 64 31.450 -12.746 0.837 1.00 0.83 H new ATOM 0 HA GLN A 64 29.779 -10.593 1.418 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.083 -11.053 2.326 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.755 -10.540 0.791 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.713 -8.295 1.104 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.090 -8.814 2.657 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.449 -6.967 1.486 1.00 3.27 H new ATOM 0 HE22 GLN A 64 34.695 -7.280 2.699 1.00 3.27 H new ATOM 911 N GLY A 65 31.306 -10.337 -1.518 1.00 1.05 N ATOM 912 CA GLY A 65 31.232 -9.656 -2.798 1.00 1.14 C ATOM 913 C GLY A 65 29.807 -9.545 -3.294 1.00 0.94 C ATOM 914 O GLY A 65 29.375 -8.481 -3.739 1.00 0.94 O ATOM 0 H GLY A 65 32.039 -11.043 -1.450 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.663 -8.659 -2.705 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.831 -10.195 -3.532 1.00 1.14 H new ATOM 918 N VAL A 66 29.064 -10.646 -3.201 1.00 0.83 N ATOM 919 CA VAL A 66 27.674 -10.655 -3.631 1.00 0.72 C ATOM 920 C VAL A 66 26.865 -9.650 -2.817 1.00 0.59 C ATOM 921 O VAL A 66 26.281 -8.719 -3.365 1.00 0.56 O ATOM 922 CB VAL A 66 27.038 -12.059 -3.492 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.829 -12.199 -4.410 1.00 1.22 C ATOM 924 CG2 VAL A 66 28.065 -13.145 -3.785 1.00 1.46 C ATOM 0 H VAL A 66 29.401 -11.536 -2.834 1.00 0.83 H new ATOM 0 HA VAL A 66 27.658 -10.377 -4.685 1.00 0.72 H new ATOM 0 HB VAL A 66 26.698 -12.178 -2.463 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.398 -13.194 -4.295 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.084 -11.448 -4.147 1.00 1.22 H new ATOM 0 HG13 VAL A 66 26.139 -12.055 -5.445 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.598 -14.125 -3.682 1.00 1.46 H new ATOM 0 HG22 VAL A 66 28.440 -13.027 -4.802 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.893 -13.062 -3.081 1.00 1.46 H new ATOM 934 N LEU A 67 26.858 -9.832 -1.501 1.00 0.58 N ATOM 935 CA LEU A 67 26.136 -8.929 -0.608 1.00 0.62 C ATOM 936 C LEU A 67 26.428 -7.473 -0.963 1.00 0.69 C ATOM 937 O LEU A 67 25.514 -6.659 -1.096 1.00 0.71 O ATOM 938 CB LEU A 67 26.517 -9.206 0.851 1.00 0.74 C ATOM 939 CG LEU A 67 25.924 -8.233 1.878 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.527 -8.972 3.148 1.00 2.13 C ATOM 941 CD2 LEU A 67 26.909 -7.117 2.195 1.00 1.90 C ATOM 0 H LEU A 67 27.343 -10.595 -1.028 1.00 0.58 H new ATOM 0 HA LEU A 67 25.068 -9.106 -0.731 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.199 -10.217 1.107 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.603 -9.182 0.937 1.00 0.74 H new ATOM 0 HG LEU A 67 25.029 -7.785 1.446 1.00 1.29 H new ATOM 0 HD11 LEU A 67 25.108 -8.265 3.864 1.00 2.13 H new ATOM 0 HD12 LEU A 67 24.782 -9.731 2.909 1.00 2.13 H new ATOM 0 HD13 LEU A 67 26.406 -9.450 3.581 1.00 2.13 H new ATOM 0 HD21 LEU A 67 26.468 -6.439 2.925 1.00 1.90 H new ATOM 0 HD22 LEU A 67 27.824 -7.545 2.604 1.00 1.90 H new ATOM 0 HD23 LEU A 67 27.141 -6.567 1.283 1.00 1.90 H new ATOM 953 N ASP A 68 27.710 -7.156 -1.118 1.00 0.79 N ATOM 954 CA ASP A 68 28.135 -5.803 -1.463 1.00 0.94 C ATOM 955 C ASP A 68 27.429 -5.314 -2.725 1.00 0.86 C ATOM 956 O ASP A 68 26.790 -4.261 -2.718 1.00 0.91 O ATOM 957 CB ASP A 68 29.657 -5.757 -1.652 1.00 1.12 C ATOM 958 CG ASP A 68 30.095 -4.650 -2.594 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.054 -3.471 -2.185 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.469 -4.962 -3.744 1.00 2.24 O ATOM 0 H ASP A 68 28.476 -7.821 -1.010 1.00 0.79 H new ATOM 0 HA ASP A 68 27.861 -5.140 -0.642 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.136 -5.615 -0.683 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.000 -6.716 -2.040 1.00 1.12 H new ATOM 965 N THR A 69 27.543 -6.078 -3.809 1.00 0.80 N ATOM 966 CA THR A 69 26.900 -5.701 -5.064 1.00 0.80 C ATOM 967 C THR A 69 25.395 -5.553 -4.859 1.00 0.67 C ATOM 968 O THR A 69 24.783 -4.593 -5.330 1.00 0.73 O ATOM 969 CB THR A 69 27.191 -6.735 -6.154 1.00 0.86 C ATOM 970 OG1 THR A 69 28.555 -7.118 -6.130 1.00 1.02 O ATOM 971 CG2 THR A 69 26.883 -6.237 -7.550 1.00 0.94 C ATOM 0 H THR A 69 28.068 -6.952 -3.844 1.00 0.80 H new ATOM 0 HA THR A 69 27.307 -4.743 -5.387 1.00 0.80 H new ATOM 0 HB THR A 69 26.537 -7.579 -5.932 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.716 -7.708 -5.364 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.112 -7.019 -8.274 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.827 -5.977 -7.619 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.488 -5.356 -7.764 1.00 0.94 H new ATOM 979 N GLY A 70 24.803 -6.504 -4.138 1.00 0.57 N ATOM 980 CA GLY A 70 23.377 -6.451 -3.868 1.00 0.59 C ATOM 981 C GLY A 70 22.974 -5.114 -3.275 1.00 0.69 C ATOM 982 O GLY A 70 21.990 -4.505 -3.699 1.00 0.79 O ATOM 0 H GLY A 70 25.286 -7.308 -3.737 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.824 -6.622 -4.791 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.106 -7.252 -3.180 1.00 0.59 H new ATOM 986 N LYS A 71 23.749 -4.645 -2.296 1.00 0.76 N ATOM 987 CA LYS A 71 23.473 -3.364 -1.659 1.00 0.94 C ATOM 988 C LYS A 71 23.530 -2.248 -2.695 1.00 0.99 C ATOM 989 O LYS A 71 22.744 -1.301 -2.649 1.00 1.12 O ATOM 990 CB LYS A 71 24.474 -3.091 -0.528 1.00 1.05 C ATOM 991 CG LYS A 71 24.387 -1.683 0.048 1.00 1.35 C ATOM 992 CD LYS A 71 23.034 -1.420 0.693 1.00 1.91 C ATOM 993 CE LYS A 71 22.794 0.066 0.904 1.00 2.53 C ATOM 994 NZ LYS A 71 22.651 0.794 -0.387 1.00 3.25 N ATOM 0 H LYS A 71 24.567 -5.132 -1.931 1.00 0.76 H new ATOM 0 HA LYS A 71 22.473 -3.399 -1.227 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.307 -3.811 0.273 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.484 -3.258 -0.902 1.00 1.05 H new ATOM 0 HG2 LYS A 71 25.176 -1.543 0.787 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.560 -0.955 -0.744 1.00 1.35 H new ATOM 0 HD2 LYS A 71 22.244 -1.831 0.064 1.00 1.91 H new ATOM 0 HD3 LYS A 71 22.980 -1.937 1.651 1.00 1.91 H new ATOM 0 HE2 LYS A 71 21.894 0.207 1.502 1.00 2.53 H new ATOM 0 HE3 LYS A 71 23.623 0.491 1.471 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 23.197 1.678 -0.349 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 23.008 0.200 -1.162 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 21.648 1.013 -0.553 1.00 3.25 H new ATOM 1008 N LYS A 72 24.462 -2.378 -3.638 1.00 0.95 N ATOM 1009 CA LYS A 72 24.623 -1.391 -4.701 1.00 1.08 C ATOM 1010 C LYS A 72 23.313 -1.222 -5.461 1.00 1.06 C ATOM 1011 O LYS A 72 22.830 -0.107 -5.644 1.00 1.26 O ATOM 1012 CB LYS A 72 25.746 -1.806 -5.658 1.00 1.14 C ATOM 1013 CG LYS A 72 26.821 -0.742 -5.839 1.00 1.49 C ATOM 1014 CD LYS A 72 27.607 -0.511 -4.554 1.00 2.07 C ATOM 1015 CE LYS A 72 28.921 -1.276 -4.553 1.00 2.89 C ATOM 1016 NZ LYS A 72 28.708 -2.749 -4.515 1.00 3.71 N ATOM 0 H LYS A 72 25.117 -3.158 -3.686 1.00 0.95 H new ATOM 0 HA LYS A 72 24.894 -0.436 -4.250 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.210 -2.719 -5.285 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.314 -2.042 -6.630 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.503 -1.045 -6.633 1.00 1.49 H new ATOM 0 HG3 LYS A 72 26.358 0.193 -6.156 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.806 0.554 -4.436 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.006 -0.820 -3.699 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.493 -1.015 -5.443 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.516 -0.973 -3.692 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 29.619 -3.228 -4.362 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 28.058 -2.986 -3.739 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.299 -3.064 -5.418 1.00 3.71 H new ATOM 1030 N LEU A 73 22.736 -2.343 -5.891 1.00 0.89 N ATOM 1031 CA LEU A 73 21.469 -2.320 -6.620 1.00 0.98 C ATOM 1032 C LEU A 73 20.478 -1.379 -5.939 1.00 1.14 C ATOM 1033 O LEU A 73 19.869 -0.524 -6.580 1.00 1.32 O ATOM 1034 CB LEU A 73 20.866 -3.727 -6.702 1.00 0.97 C ATOM 1035 CG LEU A 73 21.846 -4.852 -7.050 1.00 0.92 C ATOM 1036 CD1 LEU A 73 21.092 -6.154 -7.298 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.687 -4.482 -8.262 1.00 1.52 C ATOM 0 H LEU A 73 23.124 -3.275 -5.748 1.00 0.89 H new ATOM 0 HA LEU A 73 21.668 -1.961 -7.630 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.401 -3.959 -5.744 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.072 -3.719 -7.448 1.00 0.97 H new ATOM 0 HG LEU A 73 22.518 -4.995 -6.204 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.801 -6.944 -7.544 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.538 -6.430 -6.401 1.00 0.96 H new ATOM 0 HD13 LEU A 73 20.397 -6.020 -8.127 1.00 0.96 H new ATOM 0 HD21 LEU A 73 23.375 -5.296 -8.490 1.00 1.52 H new ATOM 0 HD22 LEU A 73 22.035 -4.308 -9.118 1.00 1.52 H new ATOM 0 HD23 LEU A 73 23.255 -3.576 -8.048 1.00 1.52 H new ATOM 1049 N SER A 74 20.326 -1.549 -4.631 1.00 1.13 N ATOM 1050 CA SER A 74 19.410 -0.728 -3.844 1.00 1.36 C ATOM 1051 C SER A 74 19.627 0.766 -4.096 1.00 1.52 C ATOM 1052 O SER A 74 18.671 1.504 -4.329 1.00 1.76 O ATOM 1053 CB SER A 74 19.575 -1.030 -2.353 1.00 1.37 C ATOM 1054 OG SER A 74 19.645 -2.427 -2.118 1.00 1.67 O ATOM 0 H SER A 74 20.828 -2.252 -4.089 1.00 1.13 H new ATOM 0 HA SER A 74 18.396 -0.978 -4.157 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.480 -0.550 -1.980 1.00 1.37 H new ATOM 0 HB3 SER A 74 18.737 -0.607 -1.799 1.00 1.37 H new ATOM 0 HG SER A 74 20.580 -2.718 -2.154 1.00 1.67 H new ATOM 1060 N ASP A 75 20.883 1.204 -4.029 1.00 1.47 N ATOM 1061 CA ASP A 75 21.219 2.614 -4.233 1.00 1.71 C ATOM 1062 C ASP A 75 20.741 3.130 -5.590 1.00 1.86 C ATOM 1063 O ASP A 75 20.217 4.240 -5.685 1.00 2.14 O ATOM 1064 CB ASP A 75 22.732 2.835 -4.108 1.00 1.72 C ATOM 1065 CG ASP A 75 23.289 2.330 -2.791 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.168 3.053 -1.778 1.00 2.15 O ATOM 1067 OD2 ASP A 75 23.845 1.212 -2.768 1.00 2.34 O ATOM 0 H ASP A 75 21.685 0.604 -3.835 1.00 1.47 H new ATOM 0 HA ASP A 75 20.701 3.176 -3.455 1.00 1.71 H new ATOM 0 HB2 ASP A 75 23.238 2.329 -4.930 1.00 1.72 H new ATOM 0 HB3 ASP A 75 22.949 3.899 -4.206 1.00 1.72 H new ATOM 1072 N ASP A 76 20.948 2.339 -6.642 1.00 1.77 N ATOM 1073 CA ASP A 76 20.551 2.746 -7.993 1.00 2.01 C ATOM 1074 C ASP A 76 19.079 2.449 -8.262 1.00 1.98 C ATOM 1075 O ASP A 76 18.500 2.971 -9.215 1.00 2.28 O ATOM 1076 CB ASP A 76 21.427 2.056 -9.046 1.00 2.20 C ATOM 1077 CG ASP A 76 21.504 0.554 -8.853 1.00 2.36 C ATOM 1078 OD1 ASP A 76 20.514 -0.141 -9.169 1.00 2.64 O ATOM 1079 OD2 ASP A 76 22.559 0.072 -8.392 1.00 2.89 O ATOM 0 H ASP A 76 21.385 1.419 -6.588 1.00 1.77 H new ATOM 0 HA ASP A 76 20.695 3.824 -8.062 1.00 2.01 H new ATOM 0 HB2 ASP A 76 21.031 2.270 -10.039 1.00 2.20 H new ATOM 0 HB3 ASP A 76 22.433 2.475 -9.007 1.00 2.20 H new ATOM 1084 N ASN A 77 18.482 1.604 -7.424 1.00 1.87 N ATOM 1085 CA ASN A 77 17.077 1.227 -7.568 1.00 2.13 C ATOM 1086 C ASN A 77 16.869 0.418 -8.845 1.00 1.92 C ATOM 1087 O ASN A 77 16.950 0.952 -9.951 1.00 2.30 O ATOM 1088 CB ASN A 77 16.160 2.463 -7.568 1.00 3.00 C ATOM 1089 CG ASN A 77 16.803 3.696 -6.952 1.00 3.68 C ATOM 1090 OD1 ASN A 77 16.674 4.802 -7.476 1.00 3.93 O ATOM 1091 ND2 ASN A 77 17.496 3.515 -5.834 1.00 4.42 N ATOM 0 H ASN A 77 18.953 1.165 -6.633 1.00 1.87 H new ATOM 0 HA ASN A 77 16.811 0.610 -6.710 1.00 2.13 H new ATOM 0 HB2 ASN A 77 15.868 2.689 -8.594 1.00 3.00 H new ATOM 0 HB3 ASN A 77 15.247 2.228 -7.021 1.00 3.00 H new ATOM 0 HD21 ASN A 77 17.945 4.309 -5.378 1.00 4.42 H new ATOM 0 HD22 ASN A 77 17.579 2.582 -5.431 1.00 4.42 H new ATOM 1098 N THR A 78 16.603 -0.874 -8.684 1.00 2.42 N ATOM 1099 CA THR A 78 16.383 -1.765 -9.818 1.00 3.13 C ATOM 1100 C THR A 78 15.370 -2.849 -9.462 1.00 3.07 C ATOM 1101 O THR A 78 15.345 -3.340 -8.332 1.00 3.33 O ATOM 1102 CB THR A 78 17.704 -2.404 -10.256 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.621 -2.453 -9.176 1.00 4.29 O ATOM 1104 CG2 THR A 78 18.377 -1.668 -11.397 1.00 4.87 C ATOM 0 H THR A 78 16.534 -1.330 -7.774 1.00 2.42 H new ATOM 0 HA THR A 78 15.985 -1.176 -10.644 1.00 3.13 H new ATOM 0 HB THR A 78 17.441 -3.406 -10.596 1.00 4.02 H new ATOM 0 HG1 THR A 78 19.218 -1.677 -9.219 1.00 4.29 H new ATOM 0 HG21 THR A 78 19.307 -2.173 -11.658 1.00 4.87 H new ATOM 0 HG22 THR A 78 17.715 -1.657 -12.263 1.00 4.87 H new ATOM 0 HG23 THR A 78 18.593 -0.644 -11.092 1.00 4.87 H new ATOM 1112 N ILE A 79 14.533 -3.217 -10.430 1.00 3.06 N ATOM 1113 CA ILE A 79 13.520 -4.244 -10.214 1.00 3.21 C ATOM 1114 C ILE A 79 14.173 -5.603 -9.969 1.00 2.90 C ATOM 1115 O ILE A 79 14.820 -6.160 -10.857 1.00 3.08 O ATOM 1116 CB ILE A 79 12.550 -4.351 -11.411 1.00 3.81 C ATOM 1117 CG1 ILE A 79 13.308 -4.222 -12.738 1.00 4.11 C ATOM 1118 CG2 ILE A 79 11.462 -3.289 -11.311 1.00 4.49 C ATOM 1119 CD1 ILE A 79 12.531 -4.731 -13.933 1.00 4.56 C ATOM 0 H ILE A 79 14.537 -2.819 -11.369 1.00 3.06 H new ATOM 0 HA ILE A 79 12.950 -3.950 -9.333 1.00 3.21 H new ATOM 0 HB ILE A 79 12.078 -5.333 -11.383 1.00 3.81 H new ATOM 0 HG12 ILE A 79 13.563 -3.175 -12.901 1.00 4.11 H new ATOM 0 HG13 ILE A 79 14.247 -4.771 -12.665 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.787 -3.378 -12.162 1.00 4.49 H new ATOM 0 HG22 ILE A 79 10.901 -3.429 -10.387 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.918 -2.299 -11.312 1.00 4.49 H new ATOM 0 HD11 ILE A 79 13.130 -4.608 -14.836 1.00 4.56 H new ATOM 0 HD12 ILE A 79 12.299 -5.787 -13.793 1.00 4.56 H new ATOM 0 HD13 ILE A 79 11.604 -4.166 -14.032 1.00 4.56 H new ATOM 1131 N GLY A 80 14.010 -6.121 -8.754 1.00 2.87 N ATOM 1132 CA GLY A 80 14.598 -7.402 -8.399 1.00 2.77 C ATOM 1133 C GLY A 80 15.421 -7.304 -7.134 1.00 2.49 C ATOM 1134 O GLY A 80 15.553 -8.277 -6.392 1.00 2.38 O ATOM 0 H GLY A 80 13.479 -5.674 -8.006 1.00 2.87 H new ATOM 0 HA2 GLY A 80 13.808 -8.141 -8.264 1.00 2.77 H new ATOM 0 HA3 GLY A 80 15.227 -7.754 -9.217 1.00 2.77 H new ATOM 1138 N LYS A 81 15.962 -6.114 -6.883 1.00 2.47 N ATOM 1139 CA LYS A 81 16.774 -5.864 -5.693 1.00 2.30 C ATOM 1140 C LYS A 81 16.093 -6.406 -4.437 1.00 2.13 C ATOM 1141 O LYS A 81 16.723 -7.056 -3.609 1.00 1.92 O ATOM 1142 CB LYS A 81 17.025 -4.361 -5.537 1.00 2.45 C ATOM 1143 CG LYS A 81 15.781 -3.579 -5.135 1.00 2.98 C ATOM 1144 CD LYS A 81 15.982 -2.078 -5.270 1.00 3.54 C ATOM 1145 CE LYS A 81 14.652 -1.339 -5.332 1.00 4.27 C ATOM 1146 NZ LYS A 81 13.715 -1.954 -6.316 1.00 4.40 N ATOM 0 H LYS A 81 15.852 -5.303 -7.492 1.00 2.47 H new ATOM 0 HA LYS A 81 17.725 -6.382 -5.818 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.801 -4.206 -4.787 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.406 -3.964 -6.478 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.941 -3.889 -5.757 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.520 -3.818 -4.104 1.00 2.98 H new ATOM 0 HD2 LYS A 81 16.564 -1.711 -4.425 1.00 3.54 H new ATOM 0 HD3 LYS A 81 16.559 -1.867 -6.170 1.00 3.54 H new ATOM 0 HE2 LYS A 81 14.191 -1.339 -4.344 1.00 4.27 H new ATOM 0 HE3 LYS A 81 14.828 -0.298 -5.602 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.149 -1.208 -6.769 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 14.259 -2.465 -7.041 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 13.083 -2.618 -5.825 1.00 4.40 H new ATOM 1160 N GLU A 82 14.802 -6.126 -4.308 1.00 2.24 N ATOM 1161 CA GLU A 82 14.027 -6.573 -3.158 1.00 2.14 C ATOM 1162 C GLU A 82 14.147 -8.083 -2.965 1.00 1.94 C ATOM 1163 O GLU A 82 14.578 -8.549 -1.909 1.00 1.76 O ATOM 1164 CB GLU A 82 12.558 -6.170 -3.326 1.00 2.37 C ATOM 1165 CG GLU A 82 12.367 -4.704 -3.701 1.00 2.74 C ATOM 1166 CD GLU A 82 12.532 -3.759 -2.521 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.814 -3.931 -1.513 1.00 3.00 O ATOM 1168 OE2 GLU A 82 13.370 -2.839 -2.609 1.00 2.89 O ATOM 0 H GLU A 82 14.267 -5.588 -4.990 1.00 2.24 H new ATOM 0 HA GLU A 82 14.428 -6.090 -2.267 1.00 2.14 H new ATOM 0 HB2 GLU A 82 12.104 -6.795 -4.095 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.026 -6.371 -2.396 1.00 2.37 H new ATOM 0 HG2 GLU A 82 13.086 -4.437 -4.476 1.00 2.74 H new ATOM 0 HG3 GLU A 82 11.373 -4.571 -4.129 1.00 2.74 H new ATOM 1175 N GLU A 83 13.768 -8.846 -3.987 1.00 2.03 N ATOM 1176 CA GLU A 83 13.849 -10.300 -3.911 1.00 1.94 C ATOM 1177 C GLU A 83 15.278 -10.729 -3.613 1.00 1.73 C ATOM 1178 O GLU A 83 15.514 -11.649 -2.832 1.00 1.57 O ATOM 1179 CB GLU A 83 13.365 -10.941 -5.214 1.00 2.17 C ATOM 1180 CG GLU A 83 12.656 -12.274 -5.010 1.00 2.39 C ATOM 1181 CD GLU A 83 11.373 -12.394 -5.817 1.00 2.51 C ATOM 1182 OE1 GLU A 83 10.340 -11.842 -5.383 1.00 2.94 O ATOM 1183 OE2 GLU A 83 11.398 -13.043 -6.886 1.00 2.93 O ATOM 0 H GLU A 83 13.405 -8.485 -4.869 1.00 2.03 H new ATOM 0 HA GLU A 83 13.201 -10.639 -3.103 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.688 -10.252 -5.719 1.00 2.17 H new ATOM 0 HB3 GLU A 83 14.219 -11.090 -5.875 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.330 -13.084 -5.287 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.426 -12.399 -3.952 1.00 2.39 H new ATOM 1190 N ILE A 84 16.235 -10.047 -4.237 1.00 1.75 N ATOM 1191 CA ILE A 84 17.643 -10.349 -4.028 1.00 1.60 C ATOM 1192 C ILE A 84 17.977 -10.283 -2.542 1.00 1.38 C ATOM 1193 O ILE A 84 18.550 -11.216 -1.988 1.00 1.22 O ATOM 1194 CB ILE A 84 18.555 -9.376 -4.811 1.00 1.73 C ATOM 1195 CG1 ILE A 84 18.576 -9.749 -6.297 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.969 -9.368 -4.238 1.00 1.57 C ATOM 1197 CD1 ILE A 84 19.260 -11.069 -6.589 1.00 2.47 C ATOM 0 H ILE A 84 16.059 -9.283 -4.890 1.00 1.75 H new ATOM 0 HA ILE A 84 17.825 -11.357 -4.400 1.00 1.60 H new ATOM 0 HB ILE A 84 18.148 -8.370 -4.709 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.551 -9.793 -6.665 1.00 2.03 H new ATOM 0 HG13 ILE A 84 19.081 -8.959 -6.853 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.589 -8.675 -4.808 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.937 -9.053 -3.195 1.00 1.57 H new ATOM 0 HG23 ILE A 84 20.393 -10.370 -4.301 1.00 1.57 H new ATOM 0 HD11 ILE A 84 19.234 -11.263 -7.661 1.00 2.47 H new ATOM 0 HD12 ILE A 84 20.296 -11.024 -6.253 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.743 -11.871 -6.063 1.00 2.47 H new ATOM 1209 N GLN A 85 17.597 -9.180 -1.900 1.00 1.45 N ATOM 1210 CA GLN A 85 17.849 -9.000 -0.474 1.00 1.35 C ATOM 1211 C GLN A 85 17.317 -10.190 0.321 1.00 1.19 C ATOM 1212 O GLN A 85 18.019 -10.750 1.160 1.00 1.05 O ATOM 1213 CB GLN A 85 17.213 -7.697 0.026 1.00 1.56 C ATOM 1214 CG GLN A 85 18.225 -6.662 0.504 1.00 1.77 C ATOM 1215 CD GLN A 85 18.508 -5.587 -0.532 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.209 -5.748 -1.715 1.00 2.80 O ATOM 1217 NE2 GLN A 85 19.090 -4.480 -0.089 1.00 3.13 N ATOM 0 H GLN A 85 17.114 -8.399 -2.345 1.00 1.45 H new ATOM 0 HA GLN A 85 18.927 -8.939 -0.324 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.616 -7.264 -0.776 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.530 -7.928 0.843 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.854 -6.192 1.415 1.00 1.77 H new ATOM 0 HG3 GLN A 85 19.157 -7.165 0.762 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.322 -4.386 0.900 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.306 -3.723 -0.737 1.00 3.13 H new ATOM 1226 N GLN A 86 16.074 -10.576 0.042 1.00 1.26 N ATOM 1227 CA GLN A 86 15.455 -11.710 0.723 1.00 1.18 C ATOM 1228 C GLN A 86 16.298 -12.968 0.534 1.00 1.03 C ATOM 1229 O GLN A 86 16.635 -13.655 1.499 1.00 0.90 O ATOM 1230 CB GLN A 86 14.038 -11.941 0.187 1.00 1.37 C ATOM 1231 CG GLN A 86 13.168 -12.800 1.093 1.00 1.47 C ATOM 1232 CD GLN A 86 13.569 -14.265 1.086 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.659 -14.855 -0.101 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 13.790 -14.862 2.139 1.00 3.09 N flip ATOM 0 H GLN A 86 15.477 -10.121 -0.649 1.00 1.26 H new ATOM 0 HA GLN A 86 15.397 -11.485 1.788 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.553 -10.976 0.043 1.00 1.37 H new ATOM 0 HB3 GLN A 86 14.103 -12.414 -0.793 1.00 1.37 H new ATOM 0 HG2 GLN A 86 13.226 -12.418 2.112 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.128 -12.712 0.779 1.00 1.47 H new ATOM 0 HE21 GLN A 86 13.710 -14.372 3.030 1.00 3.09 H new ATOM 0 HE22 GLN A 86 14.054 -15.847 2.121 1.00 3.09 H new ATOM 1243 N ARG A 87 16.635 -13.257 -0.718 1.00 1.11 N ATOM 1244 CA ARG A 87 17.442 -14.426 -1.053 1.00 1.09 C ATOM 1245 C ARG A 87 18.786 -14.378 -0.330 1.00 0.91 C ATOM 1246 O ARG A 87 19.223 -15.365 0.262 1.00 0.87 O ATOM 1247 CB ARG A 87 17.659 -14.494 -2.568 1.00 1.29 C ATOM 1248 CG ARG A 87 17.962 -15.893 -3.086 1.00 1.78 C ATOM 1249 CD ARG A 87 16.820 -16.860 -2.814 1.00 2.22 C ATOM 1250 NE ARG A 87 15.509 -16.240 -3.005 1.00 2.81 N ATOM 1251 CZ ARG A 87 14.381 -16.728 -2.497 1.00 3.73 C ATOM 1252 NH1 ARG A 87 14.403 -17.845 -1.786 1.00 4.21 N ATOM 1253 NH2 ARG A 87 13.232 -16.096 -2.696 1.00 4.43 N ATOM 0 H ARG A 87 16.360 -12.694 -1.523 1.00 1.11 H new ATOM 0 HA ARG A 87 16.910 -15.320 -0.729 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.768 -14.116 -3.070 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.482 -13.831 -2.837 1.00 1.29 H new ATOM 0 HG2 ARG A 87 18.153 -15.849 -4.158 1.00 1.78 H new ATOM 0 HG3 ARG A 87 18.872 -16.265 -2.615 1.00 1.78 H new ATOM 0 HD2 ARG A 87 16.912 -17.722 -3.475 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.898 -17.232 -1.793 1.00 2.22 H new ATOM 0 HE ARG A 87 15.457 -15.385 -3.559 1.00 2.81 H new ATOM 0 HH11 ARG A 87 15.285 -18.332 -1.628 1.00 4.21 H new ATOM 0 HH12 ARG A 87 13.538 -18.219 -1.397 1.00 4.21 H new ATOM 0 HH21 ARG A 87 13.212 -15.233 -3.240 1.00 4.43 H new ATOM 0 HH22 ARG A 87 12.368 -16.473 -2.305 1.00 4.43 H new ATOM 1267 N LEU A 88 19.437 -13.223 -0.390 1.00 0.87 N ATOM 1268 CA LEU A 88 20.728 -13.029 0.253 1.00 0.78 C ATOM 1269 C LEU A 88 20.636 -13.323 1.747 1.00 0.71 C ATOM 1270 O LEU A 88 21.524 -13.951 2.321 1.00 0.67 O ATOM 1271 CB LEU A 88 21.211 -11.596 0.026 1.00 0.86 C ATOM 1272 CG LEU A 88 22.626 -11.295 0.527 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.661 -12.044 -0.301 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.890 -9.797 0.493 1.00 1.90 C ATOM 0 H LEU A 88 19.087 -12.401 -0.882 1.00 0.87 H new ATOM 0 HA LEU A 88 21.444 -13.722 -0.188 1.00 0.78 H new ATOM 0 HB2 LEU A 88 21.168 -11.381 -1.042 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.517 -10.914 0.517 1.00 0.86 H new ATOM 0 HG LEU A 88 22.708 -11.637 1.559 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.660 -11.816 0.072 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.481 -13.116 -0.225 1.00 1.15 H new ATOM 0 HD13 LEU A 88 23.584 -11.737 -1.344 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.900 -9.597 0.852 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.790 -9.433 -0.530 1.00 1.90 H new ATOM 0 HD23 LEU A 88 22.170 -9.286 1.132 1.00 1.90 H new ATOM 1286 N ALA A 89 19.552 -12.869 2.372 1.00 0.77 N ATOM 1287 CA ALA A 89 19.349 -13.098 3.797 1.00 0.81 C ATOM 1288 C ALA A 89 19.220 -14.587 4.078 1.00 0.74 C ATOM 1289 O ALA A 89 19.657 -15.075 5.122 1.00 0.77 O ATOM 1290 CB ALA A 89 18.117 -12.348 4.285 1.00 0.97 C ATOM 0 H ALA A 89 18.806 -12.344 1.916 1.00 0.77 H new ATOM 0 HA ALA A 89 20.215 -12.720 4.339 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.979 -12.529 5.351 1.00 0.97 H new ATOM 0 HB2 ALA A 89 18.249 -11.280 4.113 1.00 0.97 H new ATOM 0 HB3 ALA A 89 17.239 -12.697 3.741 1.00 0.97 H new ATOM 1296 N GLN A 90 18.634 -15.307 3.125 1.00 0.73 N ATOM 1297 CA GLN A 90 18.465 -16.749 3.249 1.00 0.79 C ATOM 1298 C GLN A 90 19.821 -17.427 3.139 1.00 0.73 C ATOM 1299 O GLN A 90 20.114 -18.380 3.855 1.00 0.79 O ATOM 1300 CB GLN A 90 17.521 -17.272 2.160 1.00 0.90 C ATOM 1301 CG GLN A 90 16.304 -18.005 2.701 1.00 1.35 C ATOM 1302 CD GLN A 90 15.477 -18.647 1.603 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.754 -17.966 0.876 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.585 -19.965 1.476 1.00 2.72 N ATOM 0 H GLN A 90 18.268 -14.913 2.258 1.00 0.73 H new ATOM 0 HA GLN A 90 18.026 -16.976 4.220 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.186 -16.433 1.549 1.00 0.90 H new ATOM 0 HB3 GLN A 90 18.075 -17.943 1.504 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.629 -18.773 3.403 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.681 -17.306 3.259 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.197 -20.489 2.101 1.00 2.72 H new ATOM 0 HE22 GLN A 90 15.056 -20.453 0.753 1.00 2.72 H new ATOM 1313 N PHE A 91 20.642 -16.912 2.231 1.00 0.66 N ATOM 1314 CA PHE A 91 21.986 -17.432 2.000 1.00 0.67 C ATOM 1315 C PHE A 91 22.772 -17.447 3.302 1.00 0.67 C ATOM 1316 O PHE A 91 23.303 -18.478 3.708 1.00 0.74 O ATOM 1317 CB PHE A 91 22.688 -16.550 0.950 1.00 0.65 C ATOM 1318 CG PHE A 91 24.010 -17.050 0.418 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.624 -18.124 1.038 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.648 -16.461 -0.666 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.836 -18.602 0.596 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.867 -16.936 -1.109 1.00 1.19 C ATOM 1323 CZ PHE A 91 26.421 -17.931 -0.643 1.00 0.90 C ATOM 0 H PHE A 91 20.396 -16.123 1.634 1.00 0.66 H new ATOM 0 HA PHE A 91 21.929 -18.455 1.629 1.00 0.67 H new ATOM 0 HB2 PHE A 91 22.010 -16.420 0.107 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.848 -15.564 1.386 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.144 -18.595 1.883 1.00 0.93 H new ATOM 0 HD2 PHE A 91 24.186 -15.623 -1.168 1.00 1.03 H new ATOM 0 HE1 PHE A 91 26.346 -19.410 1.100 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.361 -16.405 -1.909 1.00 1.19 H new ATOM 0 HZ PHE A 91 27.313 -18.326 -1.107 1.00 0.90 H new ATOM 1333 N VAL A 92 22.842 -16.296 3.959 1.00 0.64 N ATOM 1334 CA VAL A 92 23.572 -16.192 5.212 1.00 0.72 C ATOM 1335 C VAL A 92 23.075 -17.208 6.229 1.00 0.77 C ATOM 1336 O VAL A 92 23.860 -17.973 6.782 1.00 0.86 O ATOM 1337 CB VAL A 92 23.467 -14.777 5.823 1.00 0.77 C ATOM 1338 CG1 VAL A 92 24.517 -14.581 6.908 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.598 -13.713 4.745 1.00 1.37 C ATOM 0 H VAL A 92 22.405 -15.429 3.647 1.00 0.64 H new ATOM 0 HA VAL A 92 24.616 -16.397 4.976 1.00 0.72 H new ATOM 0 HB VAL A 92 22.483 -14.675 6.280 1.00 0.77 H new ATOM 0 HG11 VAL A 92 24.426 -13.578 7.325 1.00 0.86 H new ATOM 0 HG12 VAL A 92 24.367 -15.318 7.697 1.00 0.86 H new ATOM 0 HG13 VAL A 92 25.511 -14.707 6.479 1.00 0.86 H new ATOM 0 HG21 VAL A 92 23.521 -12.725 5.198 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.565 -13.812 4.252 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.802 -13.839 4.011 1.00 1.37 H new ATOM 1349 N ASP A 93 21.769 -17.219 6.478 1.00 0.77 N ATOM 1350 CA ASP A 93 21.195 -18.150 7.444 1.00 0.86 C ATOM 1351 C ASP A 93 21.505 -19.594 7.070 1.00 0.91 C ATOM 1352 O ASP A 93 21.881 -20.398 7.924 1.00 1.00 O ATOM 1353 CB ASP A 93 19.679 -17.958 7.554 1.00 0.90 C ATOM 1354 CG ASP A 93 19.003 -19.130 8.245 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.416 -19.471 9.374 1.00 1.71 O ATOM 1356 OD2 ASP A 93 18.073 -19.715 7.651 1.00 1.55 O ATOM 0 H ASP A 93 21.094 -16.600 6.029 1.00 0.77 H new ATOM 0 HA ASP A 93 21.650 -17.936 8.411 1.00 0.86 H new ATOM 0 HB2 ASP A 93 19.469 -17.042 8.106 1.00 0.90 H new ATOM 0 HB3 ASP A 93 19.257 -17.833 6.557 1.00 0.90 H new ATOM 1361 N HIS A 94 21.350 -19.923 5.792 1.00 0.89 N ATOM 1362 CA HIS A 94 21.604 -21.278 5.320 1.00 0.98 C ATOM 1363 C HIS A 94 23.047 -21.679 5.576 1.00 1.00 C ATOM 1364 O HIS A 94 23.312 -22.750 6.126 1.00 1.12 O ATOM 1365 CB HIS A 94 21.289 -21.387 3.826 1.00 1.00 C ATOM 1366 CG HIS A 94 19.826 -21.475 3.515 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.311 -22.176 2.447 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.757 -20.940 4.160 1.00 1.73 C ATOM 1369 CE1 HIS A 94 17.978 -22.050 2.476 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.590 -21.311 3.497 1.00 2.14 N ATOM 0 H HIS A 94 21.050 -19.271 5.067 1.00 0.89 H new ATOM 0 HA HIS A 94 20.954 -21.957 5.872 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.707 -20.521 3.313 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.789 -22.268 3.423 1.00 1.00 H new ATOM 0 HD1 HIS A 94 19.850 -22.699 1.756 1.00 2.17 H new ATOM 0 HD2 HIS A 94 18.805 -20.325 5.046 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.308 -22.496 1.756 1.00 2.46 H new ATOM 1378 N TRP A 95 23.980 -20.811 5.193 1.00 0.93 N ATOM 1379 CA TRP A 95 25.395 -21.092 5.396 1.00 1.00 C ATOM 1380 C TRP A 95 25.723 -21.081 6.878 1.00 1.06 C ATOM 1381 O TRP A 95 26.573 -21.835 7.335 1.00 1.16 O ATOM 1382 CB TRP A 95 26.265 -20.073 4.660 1.00 0.97 C ATOM 1383 CG TRP A 95 27.724 -20.417 4.693 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.280 -21.651 4.518 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.809 -19.519 4.925 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.646 -21.568 4.622 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.992 -20.269 4.870 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.893 -18.151 5.169 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.241 -19.694 5.054 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.134 -17.580 5.352 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.295 -18.352 5.292 1.00 2.05 C ATOM 0 H TRP A 95 23.783 -19.916 4.745 1.00 0.93 H new ATOM 0 HA TRP A 95 25.607 -22.081 4.990 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.937 -20.005 3.623 1.00 0.97 H new ATOM 0 HB3 TRP A 95 26.119 -19.089 5.106 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.727 -22.559 4.326 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.297 -22.348 4.529 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.999 -17.546 5.214 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 32.141 -20.289 5.010 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.209 -16.520 5.545 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.254 -17.878 5.437 1.00 2.05 H new ATOM 1402 N LYS A 96 25.040 -20.219 7.620 1.00 1.03 N ATOM 1403 CA LYS A 96 25.244 -20.111 9.054 1.00 1.12 C ATOM 1404 C LYS A 96 24.964 -21.448 9.729 1.00 1.21 C ATOM 1405 O LYS A 96 25.785 -21.945 10.500 1.00 1.32 O ATOM 1406 CB LYS A 96 24.342 -19.013 9.632 1.00 1.12 C ATOM 1407 CG LYS A 96 24.347 -18.936 11.152 1.00 1.49 C ATOM 1408 CD LYS A 96 23.070 -18.304 11.689 1.00 1.83 C ATOM 1409 CE LYS A 96 22.074 -19.354 12.161 1.00 2.36 C ATOM 1410 NZ LYS A 96 21.740 -20.331 11.088 1.00 2.86 N ATOM 0 H LYS A 96 24.336 -19.582 7.247 1.00 1.03 H new ATOM 0 HA LYS A 96 26.283 -19.842 9.245 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.658 -18.050 9.230 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.320 -19.181 9.291 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.459 -19.938 11.567 1.00 1.49 H new ATOM 0 HG3 LYS A 96 25.208 -18.355 11.484 1.00 1.49 H new ATOM 0 HD2 LYS A 96 23.314 -17.637 12.516 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.612 -17.693 10.911 1.00 1.83 H new ATOM 0 HE2 LYS A 96 22.487 -19.885 13.019 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.162 -18.862 12.499 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 21.226 -21.136 11.499 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.144 -19.870 10.372 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 22.616 -20.670 10.643 1.00 2.86 H new ATOM 1424 N GLU A 97 23.811 -22.039 9.427 1.00 1.20 N ATOM 1425 CA GLU A 97 23.455 -23.324 10.011 1.00 1.32 C ATOM 1426 C GLU A 97 24.479 -24.385 9.623 1.00 1.36 C ATOM 1427 O GLU A 97 24.994 -25.113 10.474 1.00 1.47 O ATOM 1428 CB GLU A 97 22.053 -23.751 9.563 1.00 1.36 C ATOM 1429 CG GLU A 97 21.420 -24.808 10.460 1.00 1.86 C ATOM 1430 CD GLU A 97 20.968 -24.258 11.804 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.231 -23.069 12.084 1.00 2.68 O ATOM 1432 OE2 GLU A 97 20.352 -25.021 12.578 1.00 3.03 O ATOM 0 H GLU A 97 23.116 -21.652 8.789 1.00 1.20 H new ATOM 0 HA GLU A 97 23.453 -23.219 11.096 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.406 -22.874 9.537 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.108 -24.136 8.545 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.564 -25.246 9.947 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.137 -25.612 10.626 1.00 1.86 H new ATOM 1439 N LEU A 98 24.775 -24.457 8.331 1.00 1.31 N ATOM 1440 CA LEU A 98 25.741 -25.423 7.820 1.00 1.37 C ATOM 1441 C LEU A 98 27.102 -25.239 8.482 1.00 1.42 C ATOM 1442 O LEU A 98 27.759 -26.212 8.841 1.00 1.54 O ATOM 1443 CB LEU A 98 25.874 -25.291 6.298 1.00 1.31 C ATOM 1444 CG LEU A 98 25.134 -26.359 5.485 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.796 -27.719 5.655 1.00 2.07 C ATOM 1446 CD2 LEU A 98 23.667 -26.425 5.891 1.00 2.38 C ATOM 0 H LEU A 98 24.360 -23.858 7.617 1.00 1.31 H new ATOM 0 HA LEU A 98 25.376 -26.422 8.059 1.00 1.37 H new ATOM 0 HB2 LEU A 98 25.505 -24.310 6.000 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.932 -25.326 6.037 1.00 1.31 H new ATOM 0 HG LEU A 98 25.186 -26.081 4.432 1.00 1.61 H new ATOM 0 HD11 LEU A 98 25.255 -28.463 5.070 1.00 2.07 H new ATOM 0 HD12 LEU A 98 26.829 -27.667 5.310 1.00 2.07 H new ATOM 0 HD13 LEU A 98 25.779 -28.003 6.707 1.00 2.07 H new ATOM 0 HD21 LEU A 98 23.160 -27.189 5.302 1.00 2.38 H new ATOM 0 HD22 LEU A 98 23.593 -26.675 6.949 1.00 2.38 H new ATOM 0 HD23 LEU A 98 23.196 -25.458 5.713 1.00 2.38 H new ATOM 1458 N LYS A 99 27.519 -23.987 8.646 1.00 1.38 N ATOM 1459 CA LYS A 99 28.802 -23.688 9.269 1.00 1.47 C ATOM 1460 C LYS A 99 28.827 -24.217 10.699 1.00 1.60 C ATOM 1461 O LYS A 99 29.764 -24.908 11.097 1.00 1.74 O ATOM 1462 CB LYS A 99 29.079 -22.179 9.245 1.00 1.45 C ATOM 1463 CG LYS A 99 30.329 -21.802 8.462 1.00 1.90 C ATOM 1464 CD LYS A 99 31.597 -22.067 9.260 1.00 2.41 C ATOM 1465 CE LYS A 99 32.810 -22.226 8.353 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.938 -21.102 7.385 1.00 4.07 N ATOM 0 H LYS A 99 26.988 -23.166 8.357 1.00 1.38 H new ATOM 0 HA LYS A 99 29.588 -24.184 8.700 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.220 -21.667 8.811 1.00 1.45 H new ATOM 0 HB3 LYS A 99 29.180 -21.820 10.269 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.360 -22.369 7.532 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.284 -20.747 8.191 1.00 1.90 H new ATOM 0 HD2 LYS A 99 31.768 -21.245 9.955 1.00 2.41 H new ATOM 0 HD3 LYS A 99 31.469 -22.969 9.858 1.00 2.41 H new ATOM 0 HE2 LYS A 99 33.712 -22.284 8.962 1.00 3.14 H new ATOM 0 HE3 LYS A 99 32.733 -23.166 7.807 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.813 -21.216 6.834 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.121 -21.103 6.741 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 32.970 -20.200 7.902 1.00 4.07 H new ATOM 1480 N GLN A 100 27.777 -23.913 11.460 1.00 1.58 N ATOM 1481 CA GLN A 100 27.674 -24.379 12.837 1.00 1.72 C ATOM 1482 C GLN A 100 27.783 -25.900 12.893 1.00 1.81 C ATOM 1483 O GLN A 100 28.598 -26.448 13.636 1.00 1.95 O ATOM 1484 CB GLN A 100 26.351 -23.923 13.460 1.00 1.71 C ATOM 1485 CG GLN A 100 26.316 -22.440 13.804 1.00 1.93 C ATOM 1486 CD GLN A 100 24.957 -21.986 14.303 1.00 2.66 C ATOM 1487 OE1 GLN A 100 23.956 -22.051 13.433 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 24.808 -21.584 15.456 1.00 3.33 N flip ATOM 0 H GLN A 100 26.989 -23.347 11.145 1.00 1.58 H new ATOM 0 HA GLN A 100 28.496 -23.947 13.408 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.538 -24.146 12.769 1.00 1.71 H new ATOM 0 HB3 GLN A 100 26.167 -24.501 14.365 1.00 1.71 H new ATOM 0 HG2 GLN A 100 27.067 -22.230 14.566 1.00 1.93 H new ATOM 0 HG3 GLN A 100 26.587 -21.860 12.922 1.00 1.93 H new ATOM 0 HE21 GLN A 100 25.605 -21.551 16.091 1.00 3.33 H new ATOM 0 HE22 GLN A 100 23.887 -21.284 15.777 1.00 3.33 H new ATOM 1497 N LEU A 101 26.965 -26.580 12.089 1.00 1.77 N ATOM 1498 CA LEU A 101 26.982 -28.037 12.042 1.00 1.89 C ATOM 1499 C LEU A 101 28.376 -28.546 11.684 1.00 1.96 C ATOM 1500 O LEU A 101 28.900 -29.454 12.327 1.00 2.12 O ATOM 1501 CB LEU A 101 25.953 -28.547 11.027 1.00 1.86 C ATOM 1502 CG LEU A 101 25.613 -30.039 11.132 1.00 2.09 C ATOM 1503 CD1 LEU A 101 24.231 -30.310 10.554 1.00 2.59 C ATOM 1504 CD2 LEU A 101 26.665 -30.885 10.428 1.00 2.56 C ATOM 0 H LEU A 101 26.286 -26.145 11.465 1.00 1.77 H new ATOM 0 HA LEU A 101 26.719 -28.417 13.029 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.034 -27.973 11.146 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.327 -28.346 10.023 1.00 1.86 H new ATOM 0 HG LEU A 101 25.607 -30.316 12.186 1.00 2.09 H new ATOM 0 HD11 LEU A 101 24.004 -31.373 10.636 1.00 2.59 H new ATOM 0 HD12 LEU A 101 23.487 -29.737 11.107 1.00 2.59 H new ATOM 0 HD13 LEU A 101 24.211 -30.015 9.505 1.00 2.59 H new ATOM 0 HD21 LEU A 101 26.403 -31.939 10.516 1.00 2.56 H new ATOM 0 HD22 LEU A 101 26.709 -30.609 9.375 1.00 2.56 H new ATOM 0 HD23 LEU A 101 27.638 -30.714 10.889 1.00 2.56 H new ATOM 1516 N ALA A 102 28.972 -27.946 10.657 1.00 1.86 N ATOM 1517 CA ALA A 102 30.307 -28.328 10.215 1.00 1.95 C ATOM 1518 C ALA A 102 31.309 -28.231 11.360 1.00 2.09 C ATOM 1519 O ALA A 102 32.134 -29.123 11.548 1.00 2.24 O ATOM 1520 CB ALA A 102 30.749 -27.456 9.049 1.00 1.85 C ATOM 0 H ALA A 102 28.549 -27.192 10.115 1.00 1.86 H new ATOM 0 HA ALA A 102 30.271 -29.365 9.883 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.748 -27.754 8.730 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.052 -27.577 8.219 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.764 -26.412 9.361 1.00 1.85 H new ATOM 1526 N ALA A 103 31.234 -27.141 12.119 1.00 2.07 N ATOM 1527 CA ALA A 103 32.135 -26.930 13.248 1.00 2.24 C ATOM 1528 C ALA A 103 32.037 -28.081 14.244 1.00 2.38 C ATOM 1529 O ALA A 103 33.051 -28.654 14.646 1.00 2.56 O ATOM 1530 CB ALA A 103 31.826 -25.605 13.931 1.00 2.21 C ATOM 0 H ALA A 103 30.559 -26.391 11.973 1.00 2.07 H new ATOM 0 HA ALA A 103 33.156 -26.897 12.869 1.00 2.24 H new ATOM 0 HB1 ALA A 103 32.506 -25.461 14.771 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.953 -24.790 13.218 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.798 -25.614 14.294 1.00 2.21 H new ATOM 1536 N ALA A 104 30.810 -28.416 14.639 1.00 2.34 N ATOM 1537 CA ALA A 104 30.586 -29.503 15.585 1.00 2.50 C ATOM 1538 C ALA A 104 31.148 -30.815 15.044 1.00 2.58 C ATOM 1539 O ALA A 104 31.809 -31.565 15.763 1.00 2.74 O ATOM 1540 CB ALA A 104 29.100 -29.645 15.887 1.00 2.48 C ATOM 0 H ALA A 104 29.960 -27.951 14.319 1.00 2.34 H new ATOM 0 HA ALA A 104 31.108 -29.264 16.511 1.00 2.50 H new ATOM 0 HB1 ALA A 104 28.949 -30.460 16.594 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.726 -28.716 16.318 1.00 2.48 H new ATOM 0 HB3 ALA A 104 28.560 -29.860 14.965 1.00 2.48 H new ATOM 1546 N ARG A 105 30.878 -31.082 13.770 1.00 2.50 N ATOM 1547 CA ARG A 105 31.354 -32.300 13.121 1.00 2.60 C ATOM 1548 C ARG A 105 32.881 -32.353 13.128 1.00 2.72 C ATOM 1549 O ARG A 105 33.476 -33.398 13.385 1.00 2.88 O ATOM 1550 CB ARG A 105 30.829 -32.369 11.684 1.00 2.49 C ATOM 1551 CG ARG A 105 31.113 -33.692 10.988 1.00 2.62 C ATOM 1552 CD ARG A 105 32.509 -33.723 10.380 1.00 2.76 C ATOM 1553 NE ARG A 105 32.473 -33.879 8.927 1.00 3.19 N ATOM 1554 CZ ARG A 105 32.288 -32.872 8.076 1.00 3.86 C ATOM 1555 NH1 ARG A 105 32.104 -31.640 8.531 1.00 4.42 N ATOM 1556 NH2 ARG A 105 32.286 -33.095 6.768 1.00 4.39 N ATOM 0 H ARG A 105 30.331 -30.470 13.165 1.00 2.50 H new ATOM 0 HA ARG A 105 30.978 -33.158 13.678 1.00 2.60 H new ATOM 0 HB2 ARG A 105 29.753 -32.197 11.692 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.276 -31.561 11.105 1.00 2.49 H new ATOM 0 HG2 ARG A 105 31.010 -34.508 11.703 1.00 2.62 H new ATOM 0 HG3 ARG A 105 30.372 -33.858 10.206 1.00 2.62 H new ATOM 0 HD2 ARG A 105 33.034 -32.802 10.632 1.00 2.76 H new ATOM 0 HD3 ARG A 105 33.077 -34.544 10.818 1.00 2.76 H new ATOM 0 HE ARG A 105 32.597 -34.815 8.542 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.104 -31.462 9.535 1.00 4.42 H new ATOM 0 HH12 ARG A 105 31.963 -30.870 7.877 1.00 4.42 H new ATOM 0 HH21 ARG A 105 32.426 -34.040 6.412 1.00 4.39 H new ATOM 0 HH22 ARG A 105 32.144 -32.321 6.119 1.00 4.39 H new ATOM 1570 N GLY A 106 33.504 -31.215 12.841 1.00 2.67 N ATOM 1571 CA GLY A 106 34.954 -31.140 12.815 1.00 2.83 C ATOM 1572 C GLY A 106 35.568 -31.440 14.167 1.00 3.06 C ATOM 1573 O GLY A 106 36.638 -32.040 14.252 1.00 3.27 O ATOM 0 H GLY A 106 33.028 -30.339 12.625 1.00 2.67 H new ATOM 0 HA2 GLY A 106 35.339 -31.845 12.079 1.00 2.83 H new ATOM 0 HA3 GLY A 106 35.259 -30.144 12.493 1.00 2.83 H new ATOM 1577 N GLN A 107 34.882 -31.020 15.227 1.00 3.06 N ATOM 1578 CA GLN A 107 35.357 -31.245 16.587 1.00 3.32 C ATOM 1579 C GLN A 107 35.295 -32.728 16.943 1.00 3.48 C ATOM 1580 O GLN A 107 36.211 -33.263 17.567 1.00 3.75 O ATOM 1581 CB GLN A 107 34.524 -30.429 17.580 1.00 3.32 C ATOM 1582 CG GLN A 107 34.753 -28.927 17.480 1.00 3.59 C ATOM 1583 CD GLN A 107 33.590 -28.121 18.023 1.00 3.56 C ATOM 1584 OE1 GLN A 107 33.239 -28.230 19.198 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.985 -27.303 17.171 1.00 4.07 N ATOM 0 H GLN A 107 33.994 -30.521 15.169 1.00 3.06 H new ATOM 0 HA GLN A 107 36.396 -30.920 16.645 1.00 3.32 H new ATOM 0 HB2 GLN A 107 33.467 -30.639 17.413 1.00 3.32 H new ATOM 0 HB3 GLN A 107 34.758 -30.757 18.593 1.00 3.32 H new ATOM 0 HG2 GLN A 107 35.659 -28.664 18.027 1.00 3.59 H new ATOM 0 HG3 GLN A 107 34.921 -28.658 16.437 1.00 3.59 H new ATOM 0 HE21 GLN A 107 33.308 -27.243 16.205 1.00 4.07 H new ATOM 0 HE22 GLN A 107 32.197 -26.734 17.482 1.00 4.07 H new